0 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 34a_100000054667_100000187820 [0,0,0,0,0,0|2,0,2]=4 1 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 7a_100000054667_100000187820 [0,0,0,0,0,0|2,0,2]=4 2 B16R0.274 C#CCCCCCCCCCCOCC(=O)[O-] 34a_100000054667_100020667443 [0,0,0,0,0,0|1,0,3]=4 3 B16R0.274 C#CCCCCCCCCCOCCC(=O)C 7a_100000034437_100000053229 [0,0,0,0,0,0|2,0,2]=4 4 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 34a_100000034437_100000731001 [0,0,0,0,0,0|2,0,2]=4 5 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 7a_100000034437_100000744528 [0,0,0,0,0,0|2,0,2]=4 6 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 34a_100000065265_100000685027 [0,0,0,0,0,0|2,0,2]=4 7 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 7a_100000065265_100011215641 [0,0,0,0,0,0|2,0,2]=4 8 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 34a_100000065265_100102525003 [0,0,0,0,0,0|2,0,2]=4 9 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 7a_100000065265_100102525003 [0,0,0,0,0,0|2,0,2]=4 10 B16R0.274 C#CCCCCCCCNCCCCC(=O)N 34a_100000696515_100153394163 [0,0,0,0,0,0|2,0,2]=4 11 B16R0.274 C#CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100153394163 [0,0,0,0,0,0|2,0,2]=4 12 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 34a_100000054614_100009817362 [0,0,0,0,0,0|2,0,2]=4 13 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 7a_100000054614_100000735457 [0,0,0,0,0,0|2,0,2]=4 14 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 34a_100012022536_100153394163 [0,0,0,0,0,0|2,0,2]=4 15 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 7a_100012022536_100153394163 [0,0,0,0,0,0|2,0,2]=4 16 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100000735457_100153394163 [0,0,0,0,0,0|2,0,2]=4 17 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100153394163_100000735457 [0,0,0,0,0,0|2,0,2]=4 18 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100000123541_100012276617 [0,0,0,0,0,0|2,0,2]=4 19 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100011217361_100009817443 [0,0,0,0,0,0|2,0,2]=4 20 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100012276617 [0,0,0,0,0,0|2,0,2]=4 21 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100011217361_100009817443 [0,0,0,0,0,0|2,0,2]=4 22 B16R0.274 C#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012276617 [0,0,0,0,0,0|1,0,3]=4 23 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100012276617 [0,0,0,0,0,0|2,0,2]=4 24 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100012276617_100009817443 [0,0,0,0,0,0|2,0,2]=4 25 B16R0.274 C#CCNCCCCCCCCCCC(=O)N 34a_100000212058_200010167045 [0,0,0,0,0,0|2,0,2]=4 26 B16R0.274 C#CCOCCCCCCCCCCC(=O)N 34a_100000210247_200010167045 [0,0,0,0,0,0|2,0,2]=4 27 B16R0.274 C#CCSCCCCCCCCCCC(=O)N 62a_100000038162_200010167045 [0,0,0,0,0,0|2,0,2]=4 28 B16R0.274 C=C(Br)CCOCCCCCCCCCCC 34a_100009813270_100011215454 [0,0,0,0,0,0|3,0,0]=3 29 B16R0.274 C=C(Br)CCOCCCCCCCCCCO 34a_100009813270_100009813290 [0,0,0,0,0,0|4,0,0]=4 30 B16R0.274 C=C(C)CCNCCCCCCCCCCC 2230a_200011215754_100000730704 [0,0,0,0,0,0|3,0,0]=3 31 B16R0.274 C=C(C)CCNCCCCCCCCCCC 34a_200011215754_100000730704 [0,0,0,0,0,0|3,0,0]=3 32 B16R0.274 C=C(C)CCNCCCCCCCCCCO 2230a_100000066964_100000730704 [0,0,0,0,0,0|4,0,0]=4 33 B16R0.274 C=C(C)CCNCCCCCCCCCCO 34a_100000066964_100000730704 [0,0,0,0,0,0|4,0,0]=4 34 B16R0.274 C=C(C)CCOCCCCCCCCCCBr 34a_100009813290_100000730704 [0,0,0,0,0,0|4,0,0]=4 35 B16R0.274 C=C(C)CCOCCCCCCCCCCBr 7a_100009813290_100000730704 [0,0,0,0,0,0|4,0,0]=4 36 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000210809_100000730704 [0,0,0,0,0,0|3,0,0]=3 37 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000764851_100011215454 [0,0,0,0,0,0|3,0,0]=3 38 B16R0.274 C=C(C)CCOCCCCCCCCCCC 7a_100000210809_100000730704 [0,0,0,0,0,0|3,0,0]=3 39 B16R0.274 C=C(C)CCOCCCCCCCCCCCl 34a_200000033068_100000730704 [0,0,0,0,0,0|4,0,0]=4 40 B16R0.274 C=C(C)CCOCCCCCCCCCCCl 7a_200000033068_100000730704 [0,0,0,0,0,0|4,0,0]=4 41 B16R0.274 C=C(C)CCOCCCCCCCCCCN 34a_100000066964_100000730704 [0,0,0,0,0,0|4,0,0]=4 42 B16R0.274 C=C(C)CCOCCCCCCCCCCO 34a_100000764851_100009813290 [0,0,0,0,0,0|4,0,0]=4 43 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100000730704_200000033068 [0,0,0,0,0,0|4,0,0]=4 44 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100009813290_100000730704 [0,0,0,0,0,0|4,0,0]=4 45 B16R0.274 C=C(C)CNCCCCCCCCCCCC 2230a_100000210451_100000748629 [0,0,0,0,0,0|3,0,0]=3 46 B16R0.274 C=C(C)CNCCCCCCCCCCCC 34a_100000210451_100000748629 [0,0,0,0,0,0|3,0,0]=3 47 B16R0.274 C=C(C)COCCCCCCCCCCCBr 34a_100009812471_100000748629 [0,0,0,0,0,0|4,0,0]=4 48 B16R0.274 C=C(C)COCCCCCCCCCCCBr 7a_100009812471_100000748629 [0,0,0,0,0,0|4,0,0]=4 49 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210245_100000759014 [0,0,0,0,0,0|3,0,0]=3 50 B16R0.274 C=C(C)COCCCCCCCCCCCC 34a_100000210810_100000748629 [0,0,0,0,0,0|3,0,0]=3 51 B16R0.274 C=C(C)COCCCCCCCCCCCC 7a_100000210810_100000748629 [0,0,0,0,0,0|3,0,0]=3 52 B16R0.274 C=C(C)COCCCCCCCCCCCO 34a_100000210245_100009812471 [0,0,0,0,0,0|4,0,0]=4 53 B16R0.274 C=C(C)COCCCCCCCCCOCC 34a_100009875440_100000748629 [0,0,0,0,0,0|4,0,0]=4 54 B16R0.274 C=C(C)COCCCCCCCCCOCC 7a_100009875440_100000748629 [0,0,0,0,0,0|4,0,0]=4 55 B16R0.274 C=C(C)CSCCCCCCCCCCCO 62a_100009812471_100000211660 [0,0,0,0,0,0|4,0,0]=4 56 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [0,0,0,0,0,0|3,0,0]=3 57 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [0,0,0,0,0,0|3,0,0]=3 58 B16R0.274 C=C(F)COCCCCCCCCCCCBr 34a_100009812471_100009893438 [0,0,0,0,0,0|4,0,0]=4 59 B16R0.274 C=C(F)COCCCCCCCCCCCBr 7a_100009812471_100000042424 [0,0,0,0,0,0|4,0,0]=4 60 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_100000210810_100009893438 [0,0,0,0,0,0|3,0,0]=3 61 B16R0.274 C=C(F)COCCCCCCCCCCCC 34a_200010262243_100000759014 [0,0,0,0,0,0|3,0,0]=3 62 B16R0.274 C=C(F)COCCCCCCCCCCCC 7a_100000210810_100000042424 [0,0,0,0,0,0|3,0,0]=3 63 B16R0.274 C=C(F)COCCCCCCCCCCCO 34a_200010262243_100009812471 [0,0,0,0,0,0|4,0,0]=4 64 B16R0.274 C=C(F)COCCCCCCCCCOCC 34a_100009875440_100009893438 [0,0,0,0,0,0|4,0,0]=4 65 B16R0.274 C=C(F)COCCCCCCCCCOCC 7a_100009875440_100000042424 [0,0,0,0,0,0|4,0,0]=4 66 B16R0.274 C=C(F)CSCCCCCCCCCCCO 62a_100009812471_100000042424 [0,0,0,0,0,0|4,0,0]=4 67 B16R0.274 C=CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011093070 [0,0,0,0,0,0|2,0,2]=4 68 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [0,0,0,0,0,0|1,0,2]=3 69 B16R0.274 C=CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011093070 [0,0,0,0,0,0|2,0,2]=4 70 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011093070 [0,0,0,0,0,0|2,0,2]=4 71 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100011093070_100000747473 [0,0,0,0,0,0|2,0,2]=4 72 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100011093070_100020667443 [0,0,0,0,0,0|1,0,3]=4 73 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011093070 [0,0,0,0,0,0|1,0,3]=4 74 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 2230a_100000081888_100000744528 [0,0,0,0,0,0|2,0,2]=4 75 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 34a_100000081888_100000731001 [0,0,0,0,0,0|2,0,2]=4 76 B16R0.274 C=CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100009814027 [0,0,0,0,0,0|2,0,2]=4 77 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [0,0,0,0,0,0|2,0,2]=4 78 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [0,0,0,0,0,0|2,0,2]=4 79 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [0,0,0,0,0,0|2,0,2]=4 80 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000038209_100000731001 [0,0,0,0,0,0|2,0,2]=4 81 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000757172_100009814027 [0,0,0,0,0,0|2,0,2]=4 82 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000038209_100000744528 [0,0,0,0,0,0|2,0,2]=4 83 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000757172_100009814027 [0,0,0,0,0,0|2,0,2]=4 84 B16R0.274 C=CCCCCCCCCCSCCC(=O)C 62a_100000053229_100009814027 [0,0,0,0,0,0|2,0,2]=4 85 B16R0.274 C=CCCCCCCCCCSCCC(=O)C 62a_100009814027_100000053229 [0,0,0,0,0,0|2,0,2]=4 86 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100000744528_100009814027 [0,0,0,0,0,0|2,0,2]=4 87 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100009814027_100000744528 [0,0,0,0,0,0|2,0,2]=4 88 B16R0.274 C=CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011933949 [0,0,0,0,0,0|2,0,2]=4 89 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011933949 [0,0,0,0,0,0|2,0,2]=4 90 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100011215194_100000685027 [0,0,0,0,0,0|2,0,2]=4 91 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100000759063_100011933949 [0,0,0,0,0,0|2,0,2]=4 92 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100011215194_100011215641 [0,0,0,0,0,0|2,0,2]=4 93 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 34a_100011215194_100102525003 [0,0,0,0,0,0|2,0,2]=4 94 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 7a_100011215194_100102525003 [0,0,0,0,0,0|2,0,2]=4 95 B16R0.274 C=CCCCCCCCCSCCCC(=O)C 62a_100011215641_100011933949 [0,0,0,0,0,0|2,0,2]=4 96 B16R0.274 C=CCCCCCCCCSCCCC(=O)C 62a_100011933949_100011215641 [0,0,0,0,0,0|2,0,2]=4 97 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100011933949_100102525003 [0,0,0,0,0,0|2,0,2]=4 98 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100102525003_100011933949 [0,0,0,0,0,0|2,0,2]=4 99 B16R0.274 C=CCCCCCCCNCCCCC(=O)N 34a_100000696515_100012355270 [0,0,0,0,0,0|2,0,2]=4 100 B16R0.274 C=CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100012355270 [0,0,0,0,0,0|2,0,2]=4 101 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 34a_100000730831_100009817362 [0,0,0,0,0,0|2,0,2]=4 102 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 7a_100000730831_100000735457 [0,0,0,0,0,0|2,0,2]=4 103 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 34a_100012022536_100012355270 [0,0,0,0,0,0|2,0,2]=4 104 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 7a_100012022536_100012355270 [0,0,0,0,0,0|2,0,2]=4 105 B16R0.274 C=CCCCCCCCSCCCCC(=O)C 62a_100000735457_100012355270 [0,0,0,0,0,0|2,0,2]=4 106 B16R0.274 C=CCCCCCCCSCCCCC(=O)C 62a_100012355270_100000735457 [0,0,0,0,0,0|2,0,2]=4 107 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_100000123541_100011215473 [0,0,0,0,0,0|2,0,2]=4 108 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_200011216477_100009817443 [0,0,0,0,0,0|2,0,2]=4 109 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_100000123541_100011215473 [0,0,0,0,0,0|2,0,2]=4 110 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_200011216477_100009817443 [0,0,0,0,0,0|2,0,2]=4 111 B16R0.274 C=CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215473 [0,0,0,0,0,0|1,0,3]=4 112 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100009817443_100011215473 [0,0,0,0,0,0|2,0,2]=4 113 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100011215473_100009817443 [0,0,0,0,0,0|2,0,2]=4 114 B16R0.274 C=CCNCCCCCCCCCCC(=O)N 2230a_100020586998_200010167045 [0,0,0,0,0,0|2,0,2]=4 115 B16R0.274 C=CCOCCCCCCCCCCC(=O)N 34a_200000210373_200010167045 [0,0,0,0,0,0|2,0,2]=4 116 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_100000210623_200010167045 [0,0,0,0,0,0|2,0,2]=4 117 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210623 [0,0,0,0,0,0|2,0,2]=4 118 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,0,0,0,0,0|2,0,0]=2 119 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,0,0,0,0,0|3,0,0]=3 120 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,0,0,0,0,0|3,0,0]=3 121 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,0,0,0,0,0|3,0,0]=3 122 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,0,0,0,0,0|3,0,0]=3 123 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,0,0,0,0,0|3,0,0]=3 124 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,0,0,0,0,0|3,0,0]=3 125 B16R0.274 CC(=O)CCCCOCCCCCNCCN 34a_103619048469_100009817362 [0,0,0,0,0,0|4,0,0]=4 126 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,0,0,0,0,0|3,0,0]=3 127 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,0,0,0,0,0|3,0,0]=3 128 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,0,0,0,0,0|3,0,0]=3 129 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,0,0,0,0,0|3,0,0]=3 130 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,0,0,0,0,0|3,0,0]=3 131 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,0,0,0,0,0|3,0,0]=3 132 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,0,0,0,0,0|3,0,0]=3 133 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,0,0,0,0,0|3,0,0]=3 134 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,0,0,0,0,0|3,0,0]=3 135 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,0,0,0,0,0|3,0,0]=3 136 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,0,0,0,0,0|3,0,0]=3 137 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,0,0,0,0,0|3,0,0]=3 138 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,0,0,0,0,0|3,0,0]=3 139 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,0,0,0,0,0|3,0,0]=3 140 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,0,0,0,0,0|3,0,0]=3 141 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,0,0,0,0,0|3,0,0]=3 142 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,0,0,0,0,0|3,0,0]=3 143 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,0,0,0,0,0|3,0,0]=3 144 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [0,0,0,0,0,0|3,0,0]=3 145 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [0,0,0,0,0,0|3,0,0]=3 146 B16R0.274 CC(=O)NCCCCCCNCCCCCF 2230a_200011996284_100000729378 [0,0,0,0,0,0|4,0,0]=4 147 B16R0.274 CC(=O)NCCCCCCNCCCCCF 34a_200011996284_100000729378 [0,0,0,0,0,0|4,0,0]=4 148 B16R0.274 CC(=O)NCCCCCCNCCCCCO 2230a_200011996284_100000746330 [0,0,0,0,0,0|4,0,0]=4 149 B16R0.274 CC(=O)NCCCCCCNCCCCCO 34a_200011996284_100000746330 [0,0,0,0,0,0|4,0,0]=4 150 B16R0.274 CC(=O)NCCCCCNCCCCCCF 2230a_200012022750_100015922095 [0,0,0,0,0,0|4,0,0]=4 151 B16R0.274 CC(=O)NCCCCCNCCCCCCF 34a_200012022750_100015922095 [0,0,0,0,0,0|4,0,0]=4 152 B16R0.274 CC(=O)NCCCCCNCCCCCCO 2230a_200012022750_100000766143 [0,0,0,0,0,0|4,0,0]=4 153 B16R0.274 CC(=O)NCCCCCNCCCCCCO 34a_200012022750_100000766143 [0,0,0,0,0,0|4,0,0]=4 154 B16R0.274 CC(=O)NCCCCNCCCCCCCO 2230a_200011368371_100000760002 [0,0,0,0,0,0|4,0,0]=4 155 B16R0.274 CC(=O)NCCCCNCCCCCCCO 34a_200011368371_100000760002 [0,0,0,0,0,0|4,0,0]=4 156 B16R0.274 CC(=O)NCCCNCCCCCCCCO 34a_100000736810_100000033203 [0,0,0,0,0,0|4,0,0]=4 157 B16R0.274 CC(=O)NCCCOCCCCCCCCO 34a_100000752032_100000033203 [0,0,0,0,0,0|4,0,0]=4 158 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000078944_100000189650 [0,0,0,0,0,0|4,0,0]=4 159 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000209853_100009813782 [0,0,0,0,0,0|4,0,0]=4 160 B16R0.274 CC(=O)NCCOCCCCCCCCCBr 7a_100009813782_100000189650 [0,0,0,0,0,0|4,0,0]=4 161 B16R0.274 CC(=O)NCCOCCCCCCCCCCl 7a_100009868337_100000189650 [0,0,0,0,0,0|4,0,0]=4 162 B16R0.274 CC(=O)NCCOCCCCCCCCCO 34a_100000158858_100009813782 [0,0,0,0,0,0|4,0,0]=4 163 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100000189650_100009813782 [0,0,0,0,0,0|4,0,0]=4 164 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100009813782_100000189650 [0,0,0,0,0,0|4,0,0]=4 165 B16R0.274 CC(=O)OCCCCCNCCCCCCO 2230a_100000686447_100009813381 [0,0,0,0,0,0|4,0,0]=4 166 B16R0.274 CC(=O)OCCCCCNCCCCCCO 34a_100000686447_100000033007 [0,0,0,0,0,0|4,0,0]=4 167 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 34a_100011215345_100000033007 [0,0,0,0,0,0|4,0,0]=4 168 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 7a_100011215345_100000033007 [0,0,0,0,0,0|4,0,0]=4 169 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 34a_100000766143_100000033007 [0,0,0,0,0,0|4,0,0]=4 170 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 7a_100000766143_100000033007 [0,0,0,0,0,0|4,0,0]=4 171 B16R0.274 CC(=O)OCCCCCOCCCCCCF 34a_100000732779_100000033007 [0,0,0,0,0,0|4,0,0]=4 172 B16R0.274 CC(=O)OCCCCCOCCCCCCF 7a_100000732779_100000033007 [0,0,0,0,0,0|4,0,0]=4 173 B16R0.274 CC(=O)OCCCCCOCCCCCCN 34a_100000686447_100000033007 [0,0,0,0,0,0|4,0,0]=4 174 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100000033007_100015922095 [0,0,0,0,0,0|4,0,0]=4 175 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100015922095_100000033007 [0,0,0,0,0,0|4,0,0]=4 176 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000033007_100000766143 [0,0,0,0,0,0|4,0,0]=4 177 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000766143_100000033007 [0,0,0,0,0,0|4,0,0]=4 178 B16R0.274 CC(=O)OCCCCNCCCCCCCO 34a_100011996573_100000033659 [0,0,0,0,0,0|4,0,0]=4 179 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 34a_100000760002_100000033659 [0,0,0,0,0,0|4,0,0]=4 180 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 7a_100000760002_100000033659 [0,0,0,0,0,0|4,0,0]=4 181 B16R0.274 CC(=O)OCCCCOCCCCCCCN 34a_100011996573_100000033659 [0,0,0,0,0,0|4,0,0]=4 182 B16R0.274 CC(=O)OCCCCOCCCCCCCO 34a_100000073216_100000760002 [0,0,0,0,0,0|4,0,0]=4 183 B16R0.274 CC(=O)OCCCCOCCCCCCCO 7a_100000073216_100000760002 [0,0,0,0,0,0|4,0,0]=4 184 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000033659_100000760002 [0,0,0,0,0,0|4,0,0]=4 185 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000760002_100000033659 [0,0,0,0,0,0|4,0,0]=4 186 B16R0.274 CC(=O)OCCCNCCCCCCCCO 34a_102515433106_100000042594 [0,0,0,0,0,0|4,0,0]=4 187 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 34a_100009813846_100000042594 [0,0,0,0,0,0|4,0,0]=4 188 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 7a_100009813846_100000042594 [0,0,0,0,0,0|4,0,0]=4 189 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 34a_100000033203_100000042594 [0,0,0,0,0,0|4,0,0]=4 190 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 7a_100000033203_100000042594 [0,0,0,0,0,0|4,0,0]=4 191 B16R0.274 CC(=O)OCCCOCCCCCCCCN 34a_102515433106_100000042594 [0,0,0,0,0,0|4,0,0]=4 192 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000033203_100000042594 [0,0,0,0,0,0|4,0,0]=4 193 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000042594_100000033203 [0,0,0,0,0,0|4,0,0]=4 194 B16R0.274 CC(=O)OCCNCCCCCCCCCO 34a_100000078944_100009814007 [0,0,0,0,0,0|4,0,0]=4 195 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009814007 [0,0,0,0,0,0|4,0,0]=4 196 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009814007 [0,0,0,0,0,0|4,0,0]=4 197 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009814007 [0,0,0,0,0,0|4,0,0]=4 198 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009814007 [0,0,0,0,0,0|4,0,0]=4 199 B16R0.274 CC(=O)OCCOCCCCCCCCCN 34a_100000078944_100009814007 [0,0,0,0,0,0|4,0,0]=4 200 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009813782_100009814007 [0,0,0,0,0,0|4,0,0]=4 201 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009814007_100009813782 [0,0,0,0,0,0|4,0,0]=4 202 B16R0.274 CC(=O)OCNCCCCCCCCCCO 34a_100000066964_100009813279 [0,0,0,0,0,0|4,0,0]=4 203 B16R0.274 CC(=O)OCOCCCCCCCCCCBr 34a_100009813290_100009813279 [0,0,0,0,0,0|4,0,0]=4 204 B16R0.274 CC(=O)OCOCCCCCCCCCCCl 34a_200000033068_100009813279 [0,0,0,0,0,0|4,0,0]=4 205 B16R0.274 CC(=O)OCOCCCCCCCCCCN 34a_100000066964_100009813279 [0,0,0,0,0,0|4,0,0]=4 206 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100000076356_200000033068 [0,0,0,0,0,0|4,0,0]=4 207 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000076356 [0,0,0,0,0,0|4,0,0]=4 208 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_100010140907_200025704644 [0,0,0,0,0,0|3,0,0]=3 209 B16R0.274 CC(=O)SCCCCCCCCCCCS[13CH3] 62a_200025704644_100010140907 [0,0,0,0,0,0|3,0,0]=3 210 B16R0.274 CC(=O)SCCCCNCCCCCCCO 2230a_100011996573_200010402107 [0,0,0,0,0,0|4,0,0]=4 211 B16R0.274 CC(=O)SCCCCNCCCCCCCO 34a_100011996573_200010402107 [0,0,0,0,0,0|4,0,0]=4 212 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 34a_100000760002_200010402107 [0,0,0,0,0,0|4,0,0]=4 213 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 7a_100000760002_200010402107 [0,0,0,0,0,0|4,0,0]=4 214 B16R0.274 CC(=O)SCCCCOCCCCCCCN 34a_100011996573_200010402107 [0,0,0,0,0,0|4,0,0]=4 215 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_100000760002_200010402107 [0,0,0,0,0,0|4,0,0]=4 216 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_200010402107_100000760002 [0,0,0,0,0,0|4,0,0]=4 217 B16R0.274 CC(=O)SCCCNCCCCCCCCO 2230a_102515433106_100000038929 [0,0,0,0,0,0|4,0,0]=4 218 B16R0.274 CC(=O)SCCCNCCCCCCCCO 34a_102515433106_100000038929 [0,0,0,0,0,0|4,0,0]=4 219 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 34a_100009813846_100000038929 [0,0,0,0,0,0|4,0,0]=4 220 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 7a_100009813846_100000038929 [0,0,0,0,0,0|4,0,0]=4 221 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 34a_100000033203_100000038929 [0,0,0,0,0,0|4,0,0]=4 222 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 7a_100000033203_100000038929 [0,0,0,0,0,0|4,0,0]=4 223 B16R0.274 CC(=O)SCCCOCCCCCCCCN 34a_102515433106_100000038929 [0,0,0,0,0,0|4,0,0]=4 224 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000033203_100000038929 [0,0,0,0,0,0|4,0,0]=4 225 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000038929_100000033203 [0,0,0,0,0,0|4,0,0]=4 226 B16R0.274 CC(O)CCCNCCCCCCCCCO 2230a_100000078944_200000718107 [0,0,0,0,0,0|3,0,1]=4 227 B16R0.274 CC(O)CCCNCCCCCCCCCO 34a_100000078944_200000718107 [0,0,0,0,0,0|3,0,1]=4 228 B16R0.274 CC(O)CCCOCCCCCCCCCBr 34a_100009813782_200000718107 [0,0,0,0,0,0|3,0,1]=4 229 B16R0.274 CC(O)CCCOCCCCCCCCCBr 7a_100009813782_200000718107 [0,0,0,0,0,0|3,0,1]=4 230 B16R0.274 CC(O)CCCOCCCCCCCCCCl 34a_100009868337_200000718107 [0,0,0,0,0,0|3,0,1]=4 231 B16R0.274 CC(O)CCCOCCCCCCCCCCl 7a_100009868337_200000718107 [0,0,0,0,0,0|3,0,1]=4 232 B16R0.274 CC(O)CCCOCCCCCCCCCN 34a_100000078944_200000718107 [0,0,0,0,0,0|3,0,1]=4 233 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_100009813782_200000718107 [0,0,0,0,0,0|3,0,1]=4 234 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_200000718107_100009813782 [0,0,0,0,0,0|3,0,1]=4 235 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_100000066964_100012276601 [0,0,0,0,0,0|3,0,1]=4 236 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_200000755665_100009813290 [0,0,0,0,0,0|3,0,1]=4 237 B16R0.274 CC(O)CCNCCCCCCCCCCO 34a_100000066964_100012276601 [0,0,0,0,0,0|3,0,1]=4 238 B16R0.274 CC(O)CCOCCCCCCCCCCBr 34a_100009813290_100012276601 [0,0,0,0,0,0|3,0,1]=4 239 B16R0.274 CC(O)CCOCCCCCCCCCCBr 7a_100009813290_100012276601 [0,0,0,0,0,0|3,0,1]=4 240 B16R0.274 CC(O)CCOCCCCCCCCCCCl 34a_200000033068_100012276601 [0,0,0,0,0,0|3,0,1]=4 241 B16R0.274 CC(O)CCOCCCCCCCCCCCl 7a_200000033068_100012276601 [0,0,0,0,0,0|3,0,1]=4 242 B16R0.274 CC(O)CCOCCCCCCCCCCN 34a_100000066964_100012276601 [0,0,0,0,0,0|3,0,1]=4 243 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100009813290_100012276601 [0,0,0,0,0,0|3,0,1]=4 244 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100012276601_200000033068 [0,0,0,0,0,0|3,0,1]=4 245 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [0,0,0,0,0,0|3,0,1]=4 246 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [0,0,0,0,0,0|3,0,1]=4 247 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [0,0,0,0,0,0|3,0,1]=4 248 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [0,0,0,0,0,0|3,0,1]=4 249 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [0,0,0,0,0,0|3,0,1]=4 250 B16R0.274 CC/C=C\CCCCCCCNCCC(=O)N 269862a_100000740010_200025770492 [0,0,0,0,0,0|2,0,2]=4 251 B16R0.274 CC/C=C\CCCCCNCCCCC(=O)N 269862a_100000696515_100016288537 [0,0,0,0,0,0|2,0,2]=4 252 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 34a_100016268722_100009817362 [0,0,0,0,0,0|2,0,2]=4 253 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 7a_100016268722_100000735457 [0,0,0,0,0,0|2,0,2]=4 254 B16R0.274 CC/C=C\CCCCOCCCCCC(=O)N 34a_100016287862_100009817443 [0,0,0,0,0,0|2,0,2]=4 255 B16R0.274 CC/C=C\CCCCOCCCCCC(=O)N 7a_100016287862_100009817443 [0,0,0,0,0,0|2,0,2]=4 256 B16R0.274 CCC#CCCCCCCCCOCC(=O)N 34a_200000031908_100000187820 [0,0,0,0,0,0|2,0,2]=4 257 B16R0.274 CCC#CCCCCCCCCOCC(=O)N 7a_200000031908_100000187820 [0,0,0,0,0,0|2,0,2]=4 258 B16R0.274 CCC#CCCCCCCCCOCC(=O)[O-] 34a_200000031908_100020667443 [0,0,0,0,0,0|1,0,3]=4 259 B16R0.274 CCC#CCCCCCCNCCCC(=O)N 34a_100000739312_200000036426 [0,0,0,0,0,0|2,0,2]=4 260 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 34a_100000759063_200000036426 [0,0,0,0,0,0|2,0,2]=4 261 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 7a_100000759063_200000036426 [0,0,0,0,0,0|2,0,2]=4 262 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000036426 [0,0,0,0,0,0|2,0,2]=4 263 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_200000036426_100011215641 [0,0,0,0,0,0|2,0,2]=4 264 B16R0.274 CCC#CCCCCCCSCCCC(=O)N 62a_100102525003_200000036426 [0,0,0,0,0,0|2,0,2]=4 265 B16R0.274 CCC#CCCCCCCSCCCC(=O)N 62a_200000036426_100102525003 [0,0,0,0,0,0|2,0,2]=4 266 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 34a_200020645093_100000685027 [0,0,0,0,0,0|2,0,2]=4 267 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 7a_200020645093_100011215641 [0,0,0,0,0,0|2,0,2]=4 268 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)N 34a_200020645093_100102525003 [0,0,0,0,0,0|2,0,2]=4 269 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)N 7a_200020645093_100102525003 [0,0,0,0,0,0|2,0,2]=4 270 B16R0.274 CCCC/C=C\CCOCCCCCC(=O)N 34a_200016286491_100009817443 [0,0,0,0,0,0|2,0,2]=4 271 B16R0.274 CCCC/C=C\CCOCCCCCC(=O)N 7a_200016286491_100009817443 [0,0,0,0,0,0|2,0,2]=4 272 B16R0.274 CCCCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000043322 [0,0,0,0,0,0|2,0,2]=4 273 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [0,0,0,0,0,0|1,0,2]=3 274 B16R0.274 CCCCC#CCCCCCCOCC(=O)C 34a_100000211253_200000043322 [0,0,0,0,0,0|2,0,2]=4 275 B16R0.274 CCCCC#CCCCCCCSCC(=O)N 62a_100000747473_200000043322 [0,0,0,0,0,0|2,0,2]=4 276 B16R0.274 CCCCC#CCCCCCCSCC(=O)N 62a_200000043322_100000747473 [0,0,0,0,0,0|2,0,2]=4 277 B16R0.274 CCCCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000043322 [0,0,0,0,0,0|1,0,3]=4 278 B16R0.274 CCCCC#CCCCCCCSCC(=O)[O-] 62a_200000043322_100020667443 [0,0,0,0,0,0|1,0,3]=4 279 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 34a_200000066234_100000685027 [0,0,0,0,0,0|2,0,2]=4 280 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 7a_200000066234_100011215641 [0,0,0,0,0,0|2,0,2]=4 281 B16R0.274 CCCCC#CCCCCOCCCC(=O)N 34a_200000066234_100102525003 [0,0,0,0,0,0|2,0,2]=4 282 B16R0.274 CCCCC#CCCCCOCCCC(=O)N 7a_200000066234_100102525003 [0,0,0,0,0,0|2,0,2]=4 283 B16R0.274 CCCCC#CCCCNCCCCC(=O)N 34a_100000696515_200000047210 [0,0,0,0,0,0|2,0,2]=4 284 B16R0.274 CCCCC#CCCCNCCOCC(=O)O 269956a_100000700818_200000047210 [0,0,0,0,0,0|2,0,2]=4 285 B16R0.274 CCCCC#CCCCOCCCCC(=O)N 34a_100012022536_200000047210 [0,0,0,0,0,0|2,0,2]=4 286 B16R0.274 CCCCC#CCCCOCCCCC(=O)N 7a_100012022536_200000047210 [0,0,0,0,0,0|2,0,2]=4 287 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_100000735457_200000047210 [0,0,0,0,0,0|2,0,2]=4 288 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_200000047210_100000735457 [0,0,0,0,0,0|2,0,2]=4 289 B16R0.274 CCCCC#CCCOCCCCCC(=O)N 34a_100000037610_100009817443 [0,0,0,0,0,0|2,0,2]=4 290 B16R0.274 CCCCC#CCCOCCCCCC(=O)N 7a_100000037610_100009817443 [0,0,0,0,0,0|2,0,2]=4 291 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 34a_100016258190_100009817443 [0,0,0,0,0,0|2,0,2]=4 292 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 7a_100016258190_100009817443 [0,0,0,0,0,0|2,0,2]=4 293 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 34a_100020655193_100000685027 [0,0,0,0,0,0|2,0,2]=4 294 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 7a_100020655193_100011215641 [0,0,0,0,0,0|2,0,2]=4 295 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 34a_100020655193_100102525003 [0,0,0,0,0,0|2,0,2]=4 296 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 7a_100020655193_100102525003 [0,0,0,0,0,0|2,0,2]=4 297 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 34a_100016277358_100009817362 [0,0,0,0,0,0|2,0,2]=4 298 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 7a_100016277358_100000735457 [0,0,0,0,0,0|2,0,2]=4 299 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 34a_200000042877_100009817362 [0,0,0,0,0,0|2,0,2]=4 300 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 7a_200000042877_100000735457 [0,0,0,0,0,0|2,0,2]=4 301 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 34a_100000123541_100009816472 [0,0,0,0,0,0|2,0,2]=4 302 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 34a_200000033628_100009817443 [0,0,0,0,0,0|2,0,2]=4 303 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 7a_100000123541_100009816472 [0,0,0,0,0,0|2,0,2]=4 304 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 7a_200000033628_100009817443 [0,0,0,0,0,0|2,0,2]=4 305 B16R0.274 CCCCCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009816472 [0,0,0,0,0,0|1,0,3]=4 306 B16R0.274 CCCCCC#CCSCCCCCC(=O)N 62a_100009816472_100009817443 [0,0,0,0,0,0|2,0,2]=4 307 B16R0.274 CCCCCC#CCSCCCCCC(=O)N 62a_100009817443_100009816472 [0,0,0,0,0,0|2,0,2]=4 308 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 34a_200016276170_100009817362 [0,0,0,0,0,0|2,0,2]=4 309 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 7a_200016276170_100000735457 [0,0,0,0,0,0|2,0,2]=4 310 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 34a_200000033163_100000685027 [0,0,0,0,0,0|2,0,2]=4 311 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 7a_200000033163_100011215641 [0,0,0,0,0,0|2,0,2]=4 312 B16R0.274 CCCCCCC#CCCOCCCC(=O)N 34a_200000033163_100102525003 [0,0,0,0,0,0|2,0,2]=4 313 B16R0.274 CCCCCCC#CCCOCCCC(=O)N 7a_200000033163_100102525003 [0,0,0,0,0,0|2,0,2]=4 314 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 34a_200000037284_100009817362 [0,0,0,0,0,0|2,0,2]=4 315 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 7a_200000037284_100000735457 [0,0,0,0,0,0|2,0,2]=4 316 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 34a_200000061759_100000685027 [0,0,0,0,0,0|2,0,2]=4 317 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 7a_200000061759_100011215641 [0,0,0,0,0,0|2,0,2]=4 318 B16R0.274 CCCCCCCC#CCOCCCC(=O)N 34a_200000061759_100102525003 [0,0,0,0,0,0|2,0,2]=4 319 B16R0.274 CCCCCCCC#CCOCCCC(=O)N 7a_200000061759_100102525003 [0,0,0,0,0,0|2,0,2]=4 320 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [0,0,0,0,0,0|2,0,2]=4 321 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 34a_200020667288_100000731001 [0,0,0,0,0,0|2,0,2]=4 322 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 7a_200020667288_100000744528 [0,0,0,0,0,0|2,0,2]=4 323 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 34a_100015232335_100000187820 [0,0,0,0,0,0|2,0,2]=4 324 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 7a_100015232335_100000187820 [0,0,0,0,0,0|2,0,2]=4 325 B16R0.274 CCCCCCCCC/C=C/COCC(=O)[O-] 34a_100015232335_100020667443 [0,0,0,0,0,0|1,0,3]=4 326 B16R0.274 CCCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218549 [0,0,0,0,0,0|3,0,1]=4 327 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [0,0,0,0,0,0|1,0,0]=1 328 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [0,0,0,0,0,0|1,0,0]=1 329 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [0,0,0,0,0,0|1,0,0]=1 330 B16R0.274 CCCCCCCCCCCCCCN(C)C 2230a_100102631434_100011215471 [0,0,0,0,0,0|3,0,0]=3 331 B16R0.274 CCCCCCCCCCCCCCN(C)C 269982a_100102631434_100011215471 [0,0,0,0,0,0|3,0,0]=3 332 B16R0.274 CCCCCCCCCCCCCCN(C)C 270004a_100102631434_200011216147 [0,0,0,0,0,0|3,0,0]=3 333 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,0,0,0,0,0|2,0,0]=2 334 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,0,0,0,0,0|2,0,0]=2 335 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,0,0,0,0,0|2,0,0]=2 336 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,0,0,0,0,0|2,0,0]=2 337 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100011215765_100000210206 [0,0,0,0,0,0|3,0,1]=4 338 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100138425928_100000210684 [0,0,0,0,0,0|3,0,1]=4 339 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100011215765_100000210206 [0,0,0,0,0,0|3,0,1]=4 340 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100138425928_100000210684 [0,0,0,0,0,0|3,0,1]=4 341 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000185773_100000210206 [0,0,0,0,0,0|3,0,1]=4 342 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000212225_100000210684 [0,0,0,0,0,0|3,0,1]=4 343 B16R0.274 CCCCCCCCCCCCCOC(C)C 7a_100000185773_100000210206 [0,0,0,0,0,0|3,0,1]=4 344 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,0,0,0,0,0|2,0,0]=2 345 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,0,0,0,0,0|2,0,0]=2 346 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,0,0,0,0,0|2,0,0]=2 347 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,0,0,0,0,0|1,0,0]=1 348 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,0,0,0,0,0|1,0,1]=2 349 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210451_100000210760 [0,0,0,0,0,0|3,0,1]=4 350 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215052 [0,0,0,0,0,0|3,0,1]=4 351 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210451_100000210432 [0,0,0,0,0,0|3,0,1]=4 352 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210953_100011218549 [0,0,0,0,0,0|3,0,1]=4 353 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210451_100000210624 [0,0,0,0,0,0|3,0,1]=4 354 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210953_100000759014 [0,0,0,0,0,0|3,0,1]=4 355 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [0,0,0,0,0,0|2,0,1]=3 356 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [0,0,0,0,0,0|2,0,1]=3 357 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [0,0,0,0,0,0|2,0,1]=3 358 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [0,0,0,0,0,0|2,0,1]=3 359 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [0,0,0,0,0,0|2,0,1]=3 360 B16R0.274 CCCCCCCCCCCCNCC(F)F 2230a_100000210451_100011934356 [0,0,0,0,0,0|3,0,1]=4 361 B16R0.274 CCCCCCCCCCCCNCC(F)F 270004a_100000765723_100011218549 [0,0,0,0,0,0|3,0,1]=4 362 B16R0.274 CCCCCCCCCCCCNCC(F)F 34a_100000210451_100011934356 [0,0,0,0,0,0|3,0,1]=4 363 B16R0.274 CCCCCCCCCCCCNCC(F)F 34a_100000765723_100000759014 [0,0,0,0,0,0|3,0,1]=4 364 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [0,0,0,0,0,0|2,0,1]=3 365 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [0,0,0,0,0,0|2,0,1]=3 366 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [0,0,0,0,0,0|2,0,1]=3 367 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,0,0,0,0,0|2,0,0]=2 368 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,0,0,0,0,0|2,0,0]=2 369 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,0,0,0,0,0|2,0,0]=2 370 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,0,0,0,0,0|1,0,1]=2 371 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [0,0,0,0,0,0|3,0,1]=4 372 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [0,0,0,0,0,0|3,0,1]=4 373 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [0,0,0,0,0,0|3,0,1]=4 374 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [0,0,0,0,0,0|3,0,1]=4 375 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [0,0,0,0,0,0|3,0,1]=4 376 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [0,0,0,0,0,0|2,0,1]=3 377 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [0,0,0,0,0,0|2,0,1]=3 378 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000210810_100011934356 [0,0,0,0,0,0|3,0,1]=4 379 B16R0.274 CCCCCCCCCCCCOCC(F)F 34a_100000743014_100000759014 [0,0,0,0,0,0|3,0,1]=4 380 B16R0.274 CCCCCCCCCCCCOCC(F)F 7a_100000210810_100011934356 [0,0,0,0,0,0|3,0,1]=4 381 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [0,0,0,0,0,0|3,0,1]=4 382 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [0,0,0,0,0,0|3,0,1]=4 383 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [0,0,0,0,0,0|2,0,1]=3 384 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [0,0,0,0,0,0|2,0,1]=3 385 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [0,0,0,0,0,0|2,0,1]=3 386 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,0,0,0,0,0|2,0,0]=2 387 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,0,0,0,0,0|1,0,1]=2 388 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [0,0,0,0,0,0|2,0,1]=3 389 B16R0.274 CCCCCCCCCCCCSCC(F)F 62a_100011934356_100000759014 [0,0,0,0,0,0|3,0,1]=4 390 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [0,0,0,0,0,0|2,0,1]=3 391 B16R0.274 CCCCCCCCCCCNCC=C(C)C 2230a_200011215754_100000761012 [0,0,0,0,0,0|3,0,1]=4 392 B16R0.274 CCCCCCCCCCCNCC=C(C)C 34a_100000718196_100011215454 [0,0,0,0,0,0|3,0,1]=4 393 B16R0.274 CCCCCCCCCCCNCC=C(C)C 34a_200011215754_100000761012 [0,0,0,0,0,0|3,0,1]=4 394 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,0,0,0,0,0|2,0,0]=2 395 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,0,0,0,0,0|2,0,0]=2 396 B16R0.274 CCCCCCCCCCCNCCC(C)C 2230a_200011215754_100000210312 [0,0,0,0,0,0|3,0,1]=4 397 B16R0.274 CCCCCCCCCCCNCCC(C)C 269862a_200011215754_100000185833 [0,0,0,0,0,0|3,0,1]=4 398 B16R0.274 CCCCCCCCCCCNCCC(C)C 34a_200011215754_100000210312 [0,0,0,0,0,0|3,0,1]=4 399 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [0,0,0,0,0,0|2,0,1]=3 400 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [0,0,0,0,0,0|2,0,1]=3 401 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [0,0,0,0,0,0|2,0,1]=3 402 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [0,0,0,0,0,0|3,0,0]=3 403 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,0,0,0,0,0|2,0,0]=2 404 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000210809_100000761012 [0,0,0,0,0,0|3,0,1]=4 405 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000753907_100011215454 [0,0,0,0,0,0|3,0,1]=4 406 B16R0.274 CCCCCCCCCCCOCC=C(C)C 7a_100000210809_100000761012 [0,0,0,0,0,0|3,0,1]=4 407 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,0,0,0,0,0|2,0,0]=2 408 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,0,0,0,0,0|2,0,0]=2 409 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,0,0,0,0,0|2,0,0]=2 410 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,0,0,0,0,0|2,0,0]=2 411 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,0,0,0,0,0|2,0,0]=2 412 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,0,0,0,0,0|2,0,0]=2 413 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,0,0,0,0,0|2,0,0]=2 414 B16R0.274 CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011215454 [0,0,0,0,0,0|3,0,1]=4 415 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011215454 [0,0,0,0,0,0|3,0,1]=4 416 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210809_100000210312 [0,0,0,0,0,0|3,0,1]=4 417 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011215454 [0,0,0,0,0,0|3,0,1]=4 418 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210809_100000210626 [0,0,0,0,0,0|3,0,1]=4 419 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [0,0,0,0,0,0|2,0,1]=3 420 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [0,0,0,0,0,0|2,0,1]=3 421 B16R0.274 CCCCCCCCCCCOCCC(F)F 34a_100103093639_100011215454 [0,0,0,0,0,0|3,0,1]=4 422 B16R0.274 CCCCCCCCCCCOCCN(C)C 7a_100000210809_100000755713 [0,0,0,0,0,0|4,0,0]=4 423 B16R0.274 CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215454 [0,0,0,0,0,0|3,0,1]=4 424 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [0,0,0,0,0,0|3,0,0]=3 425 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [0,0,0,0,0,0|2,0,0]=2 426 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,0,0,0,0,0|2,0,0]=2 427 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [0,0,0,0,0,0|2,0,1]=3 428 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [0,0,0,0,0,0|3,0,0]=3 429 B16R0.274 CCCCCCCCCCNCCC=C(C)C 2230a_100000684558_100011217483 [0,0,0,0,0,0|3,0,1]=4 430 B16R0.274 CCCCCCCCCCNCCC=C(C)C 34a_100000684558_100011217483 [0,0,0,0,0,0|3,0,1]=4 431 B16R0.274 CCCCCCCCCCNCCC=C(F)F 2230a_100000684558_200009816681 [0,0,0,0,0,0|3,0,1]=4 432 B16R0.274 CCCCCCCCCCNCCC=C(F)F 34a_100000684558_200009816681 [0,0,0,0,0,0|3,0,1]=4 433 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,0,0,0,0,0|2,0,0]=2 434 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,0,0,0,0,0|2,0,0]=2 435 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,0,0,0,0,0|2,0,0]=2 436 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_100000684558_100011214892 [0,0,0,0,0,0|3,0,1]=4 437 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100000210320 [0,0,0,0,0,0|3,0,1]=4 438 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_100000684558_100011214892 [0,0,0,0,0,0|3,0,1]=4 439 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_200000737386_100000210320 [0,0,0,0,0,0|3,0,1]=4 440 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [0,0,0,0,0,0|2,0,1]=3 441 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [0,0,0,0,0,0|2,0,1]=3 442 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [0,0,0,0,0,0|3,0,0]=3 443 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,0,0,0,0,0|3,0,0]=3 444 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,0,0,0,0,0|3,0,0]=3 445 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,0,0,0,0,0|3,0,0]=3 446 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,0,0,0,0,0|3,0,0]=3 447 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,0,0,0,0,0|3,0,0]=3 448 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,0,0,0,0,0|3,0,0]=3 449 B16R0.274 CCCCCCCCCCOCCC=C(C)C 34a_100000210711_100011217483 [0,0,0,0,0,0|3,0,1]=4 450 B16R0.274 CCCCCCCCCCOCCC=C(C)C 7a_100000210711_100011217483 [0,0,0,0,0,0|3,0,1]=4 451 B16R0.274 CCCCCCCCCCOCCC=C(F)F 34a_100000210711_200009816681 [0,0,0,0,0,0|3,0,1]=4 452 B16R0.274 CCCCCCCCCCOCCC=C(F)F 7a_100000210711_200009816681 [0,0,0,0,0,0|3,0,1]=4 453 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,0,0,0,0,0|2,0,0]=2 454 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,0,0,0,0,0|2,0,0]=2 455 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,0,0,0,0,0|2,0,0]=2 456 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,0,0,0,0,0|2,0,0]=2 457 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,0,0,0,0,0|2,0,0]=2 458 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,0,0,0,0,0|2,0,0]=2 459 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210711_100011214892 [0,0,0,0,0,0|3,0,1]=4 460 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210774_100000210320 [0,0,0,0,0,0|3,0,1]=4 461 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210711_100011214892 [0,0,0,0,0,0|3,0,1]=4 462 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210774_100000210320 [0,0,0,0,0,0|3,0,1]=4 463 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [0,0,0,0,0,0|2,0,1]=3 464 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [0,0,0,0,0,0|2,0,1]=3 465 B16R0.274 CCCCCCCCCCOCCCN(C)C 7a_100000210711_100000757444 [0,0,0,0,0,0|4,0,0]=4 466 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [0,0,0,0,0,0|2,0,1]=3 467 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,0,0,0,0,0|3,0,0]=3 468 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,0,0,0,0,0|3,0,0]=3 469 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,0,0,0,0,0|3,0,0]=3 470 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,0,0,0,0,0|3,0,0]=3 471 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,0,0,0,0,0|3,0,0]=3 472 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,0,0,0,0,0|3,0,0]=3 473 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,0,0,0,0,0|3,0,0]=3 474 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,0,0,0,0,0|3,0,0]=3 475 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,0,0,0,0,0|3,0,0]=3 476 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [0,0,0,0,0,0|2,0,0]=2 477 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,0,0,0,0,0|2,0,0]=2 478 B16R0.274 CCCCCCCCCCSCCCC(C)O 62a_200000718107_100000210320 [0,0,0,0,0,0|2,0,1]=3 479 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,0,0,0,0,0|3,0,0]=3 480 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,0,0,0,0,0|3,0,0]=3 481 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,0,0,0,0,0|3,0,0]=3 482 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,0,0,0,0,0|3,0,0]=3 483 B16R0.274 CCCCCCCCCNCCCCB(O)O 2230a_100000212291_200009817182 [0,0,0,0,0,0|2,0,1]=3 484 B16R0.274 CCCCCCCCCNCCCCB(O)O 34a_100000212291_200009817182 [0,0,0,0,0,0|2,0,1]=3 485 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,0,0,0,0,0|2,0,0]=2 486 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,0,0,0,0,0|2,0,0]=2 487 B16R0.274 CCCCCCCCCNCCCCC(C)C 2230a_100000212291_100011216152 [0,0,0,0,0,0|3,0,1]=4 488 B16R0.274 CCCCCCCCCNCCCCC(C)C 34a_100000212291_100011216152 [0,0,0,0,0,0|3,0,1]=4 489 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,0,0,0,0,0|3,0,0]=3 490 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,0,0,0,0,0|3,0,0]=3 491 B16R0.274 CCCCCCCCCNCCCOC(=S)C 2230a_100000212291_200135323944 [0,0,0,0,0,0|3,1,0]=4 492 B16R0.274 CCCCCCCCCNCCCOC(=S)C 34a_100000212291_200135323944 [0,0,0,0,0,0|3,1,0]=4 493 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,0,0,0,0,0|3,0,0]=3 494 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,0,0,0,0,0|3,0,0]=3 495 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,0,0,0,0,0|3,0,0]=3 496 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,0,0,0,0,0|3,0,0]=3 497 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,0,0,0,0,0|2,0,0]=2 498 B16R0.274 CCCCCCCCCOCCCCB(O)O 34a_100000210712_200009817182 [0,0,0,0,0,0|2,0,1]=3 499 B16R0.274 CCCCCCCCCOCCCCB(O)O 7a_100000210712_200009817182 [0,0,0,0,0,0|2,0,1]=3 500 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,0,0,0,0,0|2,0,0]=2 501 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,0,0,0,0,0|2,0,0]=2 502 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,0,0,0,0,0|2,0,0]=2 503 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,0,0,0,0,0|2,0,0]=2 504 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100000210712_100011216152 [0,0,0,0,0,0|3,0,1]=4 505 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011214924 [0,0,0,0,0,0|3,0,1]=4 506 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100000210712_100011216152 [0,0,0,0,0,0|3,0,1]=4 507 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210328 [0,0,0,0,0,0|3,0,1]=4 508 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [0,0,0,0,0,0|2,0,1]=3 509 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [0,0,0,0,0,0|2,0,1]=3 510 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,0,0,0,0,0|3,0,0]=3 511 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,0,0,0,0,0|3,0,0]=3 512 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,0,0,0,0,0|3,0,0]=3 513 B16R0.274 CCCCCCCCCOCCCOC(=S)C 34a_100000210712_200135323944 [0,0,0,0,0,0|3,1,0]=4 514 B16R0.274 CCCCCCCCCOCCCOC(=S)C 7a_100000210712_200135323944 [0,0,0,0,0,0|3,1,0]=4 515 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,0,0,0,0,0|3,0,0]=3 516 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,0,0,0,0,0|3,0,0]=3 517 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,0,0,0,0,0|3,0,0]=3 518 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,0,0,0,0,0|3,0,0]=3 519 B16R0.274 CCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210670 [0,0,0,0,0,0|2,0,1]=3 520 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [0,0,0,0,0,0|2,0,0]=2 521 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,0,0,0,0,0|3,0,0]=3 522 B16R0.274 CCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210670 [0,0,0,0,0,0|3,1,0]=4 523 B16R0.274 CCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210670 [0,0,0,0,0,0|3,0,0]=3 524 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,0,0,0,0,0|3,0,0]=3 525 B16R0.274 CCCCCCCCNCCCCCB(O)O 2230a_100000229939_200009817188 [0,0,0,0,0,0|2,0,1]=3 526 B16R0.274 CCCCCCCCNCCCCCB(O)O 34a_100000229939_200009817188 [0,0,0,0,0,0|2,0,1]=3 527 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,0,0,0,0,0|2,0,0]=2 528 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,0,0,0,0,0|2,0,0]=2 529 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100000229939_100000210682 [0,0,0,0,0,0|3,0,1]=4 530 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210759 [0,0,0,0,0,0|3,0,1]=4 531 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100000229939_100000210682 [0,0,0,0,0,0|3,0,1]=4 532 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100011290863_100000210759 [0,0,0,0,0,0|3,0,1]=4 533 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,0,0,0,0,0|3,0,0]=3 534 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,0,0,0,0,0|3,0,0]=3 535 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,0,0,0,0,0|3,0,0]=3 536 B16R0.274 CCCCCCCCNCCCCO[N+](=O)[O-] 34a_100000229939_100015694321 [0,0,0,0,0,0|3,0,1]=4 537 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,0,0,0,0,0|3,0,0]=3 538 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,0,0,0,0,0|3,0,0]=3 539 B16R0.274 CCCCCCCCNCOCCOC(=O)C 34a_100000229939_100000076355 [0,0,0,0,0,0|4,0,0]=4 540 B16R0.274 CCCCCCCCOCCCCCB(O)O 34a_100000210232_200009817188 [0,0,0,0,0,0|2,0,1]=3 541 B16R0.274 CCCCCCCCOCCCCCB(O)O 7a_100000210232_200009817188 [0,0,0,0,0,0|2,0,1]=3 542 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,0,0,0,0,0|2,0,0]=2 543 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,0,0,0,0,0|2,0,0]=2 544 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,0,0,0,0,0|2,0,0]=2 545 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,0,0,0,0,0|2,0,0]=2 546 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,0,0,0,0,0|1,0,1]=2 547 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100000210232_100000210682 [0,0,0,0,0,0|3,0,1]=4 548 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100011995859_100000210759 [0,0,0,0,0,0|3,0,1]=4 549 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100000210232_100000210682 [0,0,0,0,0,0|3,0,1]=4 550 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210759 [0,0,0,0,0,0|3,0,1]=4 551 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,0,0,0,0,0|3,0,0]=3 552 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,0,0,0,0,0|3,0,0]=3 553 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,0,0,0,0,0|3,0,0]=3 554 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,0,0,0,0,0|3,0,0]=3 555 B16R0.274 CCCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210232_100015694321 [0,0,0,0,0,0|3,0,1]=4 556 B16R0.274 CCCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210232_100015694321 [0,0,0,0,0,0|3,0,1]=4 557 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,0,0,0,0,0|3,0,0]=3 558 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,0,0,0,0,0|3,0,0]=3 559 B16R0.274 CCCCCCCCOCOCCOC(=O)C 34a_100000210232_100000076355 [0,0,0,0,0,0|4,0,0]=4 560 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_100000210759_200009817188 [0,0,0,0,0,0|2,0,1]=3 561 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210317 [0,0,0,0,0,0|2,0,1]=3 562 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,0,0,0,0,0|2,0,0]=2 563 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,0,0,0,0,0|2,0,0]=2 564 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,0,0,0,0,0|3,0,0]=3 565 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,0,0,0,0,0|3,0,0]=3 566 B16R0.274 CCCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210759_100015694321 [0,0,0,0,0,0|3,0,1]=4 567 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_100000210759_200010402107 [0,0,0,0,0,0|3,0,0]=3 568 B16R0.274 CCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210317 [0,0,0,0,0,0|3,0,0]=3 569 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210317 [0,0,0,0,0,0|4,0,0]=4 570 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000210759_100000076355 [0,0,0,0,0,0|4,0,0]=4 571 B16R0.274 CCCCCCCNCCCCCCB(O)O 2230a_100000229938_100009817187 [0,0,0,0,0,0|2,0,1]=3 572 B16R0.274 CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210681 [0,0,0,0,0,0|3,0,1]=4 573 B16R0.274 CCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210614 [0,0,0,0,0,0|3,0,1]=4 574 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [0,0,0,0,0,0|3,0,0]=3 575 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [0,0,0,0,0,0|3,0,0]=3 576 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [0,0,0,0,0,0|3,0,0]=3 577 B16R0.274 CCCCCCCNCCOCCOC(=O)C 2230a_100000229938_200000083610 [0,0,0,0,0,0|4,0,0]=4 578 B16R0.274 CCCCCCCOCCCCCCB(O)O 34a_100000210272_100009817187 [0,0,0,0,0,0|2,0,1]=3 579 B16R0.274 CCCCCCCOCCCCCCB(O)O 7a_100000210272_100009817187 [0,0,0,0,0,0|2,0,1]=3 580 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [0,0,0,0,0,0|3,0,0]=3 581 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [0,0,0,0,0,0|3,0,0]=3 582 B16R0.274 CCCCCCCOCCOCCOC(=O)C 34a_100000210272_200000083610 [0,0,0,0,0,0|4,0,0]=4 583 B16R0.274 CCCCCCCOCCOCCOC(=O)C 7a_100000210272_200000083610 [0,0,0,0,0,0|4,0,0]=4 584 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100000210614_100009817187 [0,0,0,0,0,0|2,0,1]=3 585 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210316 [0,0,0,0,0,0|2,0,1]=3 586 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [0,0,0,0,0,0|3,0,0]=3 587 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [0,0,0,0,0,0|3,0,0]=3 588 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_100000210614_200000083610 [0,0,0,0,0,0|4,0,0]=4 589 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210316 [0,0,0,0,0,0|4,0,0]=4 590 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [0,0,0,0,0,0|3,0,0]=3 591 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [0,0,0,0,0,0|3,0,0]=3 592 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,0,0,0,0,0|3,0,0]=3 593 B16R0.274 CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210314 [0,0,0,0,0,0|3,0,1]=4 594 B16R0.274 CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210314 [0,0,0,0,0,0|3,0,1]=4 595 B16R0.274 CCCCCCOCCOCCCCB(O)O 34a_100000691444_200009817182 [0,0,0,0,0,0|3,0,1]=4 596 B16R0.274 CCCCCCOCCOCCCCB(O)O 7a_100000691444_200009817182 [0,0,0,0,0,0|3,0,1]=4 597 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,0,0,0,0,0|3,0,0]=3 598 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,0,0,0,0,0|3,0,0]=3 599 B16R0.274 CCCCCCOCCOCCCOC(=O)C 34a_100000691444_100000042594 [0,0,0,0,0,0|4,0,0]=4 600 B16R0.274 CCCCCCOCCOCCCOC(=O)C 7a_100000691444_100000042594 [0,0,0,0,0,0|4,0,0]=4 601 B16R0.274 CCCCCCOCCOCCCSC(=O)C 34a_100000691444_100000038929 [0,0,0,0,0,0|4,0,0]=4 602 B16R0.274 CCCCCCOCCOCCCSC(=O)C 7a_100000691444_100000038929 [0,0,0,0,0,0|4,0,0]=4 603 B16R0.274 CCCCCCOCCOCCOCC(=O)N 34a_100000032842_100000187820 [0,0,0,0,0,0|4,0,0]=4 604 B16R0.274 CCCCCCOCCOCCOCC(=O)N 34a_100000691444_100000076697 [0,0,0,0,0,0|4,0,0]=4 605 B16R0.274 CCCCCCOCCOCCOCC(=O)N 7a_100000032842_100000187820 [0,0,0,0,0,0|4,0,0]=4 606 B16R0.274 CCCCCCOCCOCCOCC(=O)N 7a_100000691444_100000076697 [0,0,0,0,0,0|4,0,0]=4 607 B16R0.274 CCCCCCOCCOCCOCC(=O)[O-] 34a_100000032842_100020667443 [0,0,0,0,0,0|3,0,1]=4 608 B16R0.274 CCCCCNCCOCCCCCB(O)O 34a_100000224656_200009817188 [0,0,0,0,0,0|3,0,1]=4 609 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [0,0,0,0,0,0|3,0,0]=3 610 B16R0.274 CCCCCNCCOCCCCOC(=O)C 34a_100000224656_100000033659 [0,0,0,0,0,0|4,0,0]=4 611 B16R0.274 CCCCCNCCOCCCCSC(=O)C 34a_100000224656_200010402107 [0,0,0,0,0,0|4,0,0]=4 612 B16R0.274 CCCCCOCCOCCCCCB(O)O 34a_100011215259_200009817188 [0,0,0,0,0,0|3,0,1]=4 613 B16R0.274 CCCCCOCCOCCCCCB(O)O 7a_100011215259_200009817188 [0,0,0,0,0,0|3,0,1]=4 614 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [0,0,0,0,0,0|3,0,0]=3 615 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [0,0,0,0,0,0|3,0,0]=3 616 B16R0.274 CCCCCOCCOCCCCOC(=O)C 34a_100011215259_100000033659 [0,0,0,0,0,0|4,0,0]=4 617 B16R0.274 CCCCCOCCOCCCCOC(=O)C 7a_100011215259_100000033659 [0,0,0,0,0,0|4,0,0]=4 618 B16R0.274 CCCCCOCCOCCCCSC(=O)C 34a_100011215259_200010402107 [0,0,0,0,0,0|4,0,0]=4 619 B16R0.274 CCCCCOCCOCCCCSC(=O)C 7a_100011215259_200010402107 [0,0,0,0,0,0|4,0,0]=4 620 B16R0.274 CCCCNCCCCOCCCCB(O)O 34a_200011216965_200009817182 [0,0,0,0,0,0|3,0,1]=4 621 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,0,0,0,0,0|3,0,0]=3 622 B16R0.274 CCCCNCCCCOCCCOC(=O)C 34a_200011216965_100000042594 [0,0,0,0,0,0|4,0,0]=4 623 B16R0.274 CCCCNCCCCOCCCSC(=O)C 34a_200011216965_100000038929 [0,0,0,0,0,0|4,0,0]=4 624 B16R0.274 CCCCNCCCCOCCOCC(=O)N 34a_200011216965_100000076697 [0,0,0,0,0,0|4,0,0]=4 625 B16R0.274 CCCCOCCCCOCCCCB(O)O 34a_200000760531_200009817182 [0,0,0,0,0,0|3,0,1]=4 626 B16R0.274 CCCCOCCCCOCCCCB(O)O 7a_200000760531_200009817182 [0,0,0,0,0,0|3,0,1]=4 627 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,0,0,0,0,0|3,0,0]=3 628 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,0,0,0,0,0|3,0,0]=3 629 B16R0.274 CCCCOCCCCOCCCOC(=O)C 34a_200000760531_100000042594 [0,0,0,0,0,0|4,0,0]=4 630 B16R0.274 CCCCOCCCCOCCCOC(=O)C 7a_200000760531_100000042594 [0,0,0,0,0,0|4,0,0]=4 631 B16R0.274 CCCCOCCCCOCCCSC(=O)C 34a_200000760531_100000038929 [0,0,0,0,0,0|4,0,0]=4 632 B16R0.274 CCCCOCCCCOCCCSC(=O)C 7a_200000760531_100000038929 [0,0,0,0,0,0|4,0,0]=4 633 B16R0.274 CCCCOCCCCOCCOCC(=O)N 34a_200000760531_100000076697 [0,0,0,0,0,0|4,0,0]=4 634 B16R0.274 CCCCOCCCCOCCOCC(=O)N 7a_200000760531_100000076697 [0,0,0,0,0,0|4,0,0]=4 635 B16R0.274 CCCCOCCCNCCCCCB(O)O 2230a_200000211371_200009817188 [0,0,0,0,0,0|3,0,1]=4 636 B16R0.274 CCCCOCCCNCCCCCB(O)O 34a_200000211371_200009817188 [0,0,0,0,0,0|3,0,1]=4 637 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [0,0,0,0,0,0|3,0,0]=3 638 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [0,0,0,0,0,0|3,0,0]=3 639 B16R0.274 CCCCOCCCNCCCCOC(=O)C 34a_200000211371_100000033659 [0,0,0,0,0,0|4,0,0]=4 640 B16R0.274 CCCCOCCCNCCCCSC(=O)C 2230a_200000211371_200010402107 [0,0,0,0,0,0|4,0,0]=4 641 B16R0.274 CCCCOCCCNCCCCSC(=O)C 34a_200000211371_200010402107 [0,0,0,0,0,0|4,0,0]=4 642 B16R0.274 CCCCOCCCOCCCCCB(O)O 34a_200011215613_200009817188 [0,0,0,0,0,0|3,0,1]=4 643 B16R0.274 CCCCOCCCOCCCCCB(O)O 7a_200011215613_200009817188 [0,0,0,0,0,0|3,0,1]=4 644 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [0,0,0,0,0,0|3,0,0]=3 645 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [0,0,0,0,0,0|3,0,0]=3 646 B16R0.274 CCCCOCCCOCCCCOC(=O)C 34a_200011215613_100000033659 [0,0,0,0,0,0|4,0,0]=4 647 B16R0.274 CCCCOCCCOCCCCOC(=O)C 7a_200011215613_100000033659 [0,0,0,0,0,0|4,0,0]=4 648 B16R0.274 CCCCOCCCOCCCCSC(=O)C 34a_200011215613_200010402107 [0,0,0,0,0,0|4,0,0]=4 649 B16R0.274 CCCCOCCCOCCCCSC(=O)C 7a_200011215613_200010402107 [0,0,0,0,0,0|4,0,0]=4 650 B16R0.274 CCCCOCCNCCCCCNC(=O)C 2230a_200012022750_100000743108 [0,0,0,0,0,0|4,0,0]=4 651 B16R0.274 CCCCOCCNCCCCCNC(=O)C 34a_200012022750_100000743108 [0,0,0,0,0,0|4,0,0]=4 652 B16R0.274 CCCCOCCOCCCCCCB(O)O 34a_100000210238_100009817187 [0,0,0,0,0,0|3,0,1]=4 653 B16R0.274 CCCCOCCOCCCCCCB(O)O 7a_100000210238_100009817187 [0,0,0,0,0,0|3,0,1]=4 654 B16R0.274 CCCCOCCOCCCCCOC(=O)C 34a_100000210238_100000033007 [0,0,0,0,0,0|4,0,0]=4 655 B16R0.274 CCCCOCCOCCCCCOC(=O)C 7a_100000210238_100000033007 [0,0,0,0,0,0|4,0,0]=4 656 B16R0.274 CCCCOCCOCCOCCCC(=O)C 34a_100011215186_100000685027 [0,0,0,0,0,0|4,0,0]=4 657 B16R0.274 CCCCOCCOCCOCCCC(=O)C 7a_100011215186_100011215641 [0,0,0,0,0,0|4,0,0]=4 658 B16R0.274 CCCCOCCOCCOCCCC(=O)N 34a_100011215186_100102525003 [0,0,0,0,0,0|4,0,0]=4 659 B16R0.274 CCCCOCCOCCOCCCC(=O)N 7a_100011215186_100102525003 [0,0,0,0,0,0|4,0,0]=4 660 B16R0.274 CCCCOCCSCCCCCCB(O)O 62a_100000743108_100009817187 [0,0,0,0,0,0|3,0,1]=4 661 B16R0.274 CCCCOCCSCCCCCCB(O)O 62a_100009817187_100000743108 [0,0,0,0,0,0|3,0,1]=4 662 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000033007_100000743108 [0,0,0,0,0,0|4,0,0]=4 663 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000743108_100000033007 [0,0,0,0,0,0|4,0,0]=4 664 B16R0.274 CCCCOCNCCCCCCNC(=O)C 2230a_200011996284_100011995733 [0,0,0,0,0,0|4,0,0]=4 665 B16R0.274 CCCCOCNCCCCCCNC(=O)C 34a_200011996284_100011995733 [0,0,0,0,0,0|4,0,0]=4 666 B16R0.274 CCCCOCNCCOCCOCC(=O)O 269956a_100009854275_100011995733 [0,0,0,0,0,0|4,0,0]=4 667 B16R0.274 CCCCSCCNCCCCCCB(O)O 2230a_100025743550_100009817187 [0,0,0,0,0,0|3,0,1]=4 668 B16R0.274 CCCCSCCNCCCCCOC(=O)C 2230a_100025743550_100009813381 [0,0,0,0,0,0|4,0,0]=4 669 B16R0.274 CCCCSCCOCCCCCCB(O)O 34a_200000230436_100009817187 [0,0,0,0,0,0|3,0,1]=4 670 B16R0.274 CCCCSCCOCCCCCCB(O)O 7a_200000230436_100009817187 [0,0,0,0,0,0|3,0,1]=4 671 B16R0.274 CCCCSCCOCCCCCOC(=O)C 34a_200000230436_100000033007 [0,0,0,0,0,0|4,0,0]=4 672 B16R0.274 CCCCSCCOCCCCCOC(=O)C 7a_200000230436_100000033007 [0,0,0,0,0,0|4,0,0]=4 673 B16R0.274 CCCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210207 [0,0,0,0,0,0|4,0,0]=4 674 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,0,0,0,0,0|2,0,0]=2 675 B16R0.274 CCCOCCCNCCCCCCB(O)O 2230a_100011217757_100009817187 [0,0,0,0,0,0|3,0,1]=4 676 B16R0.274 CCCOCCCNCCCCCCB(O)O 34a_100011217757_100009817187 [0,0,0,0,0,0|3,0,1]=4 677 B16R0.274 CCCOCCCNCCCCCOC(=O)C 2230a_100011217757_100009813381 [0,0,0,0,0,0|4,0,0]=4 678 B16R0.274 CCCOCCCNCCCCCOC(=O)C 34a_100011217757_100000033007 [0,0,0,0,0,0|4,0,0]=4 679 B16R0.274 CCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215938 [0,0,0,0,0,0|4,0,0]=4 680 B16R0.274 CCCOCCNCCCCCCNC(=O)C 34a_200011996284_100011215938 [0,0,0,0,0,0|4,0,0]=4 681 B16R0.274 CCCOCCNCCOCCOCC(=O)O 269956a_100009854275_100011215938 [0,0,0,0,0,0|4,0,0]=4 682 B16R0.274 CCCOCCOCCNCCCCC(=O)C 34a_200011904461_100009817362 [0,0,0,0,0,0|4,0,0]=4 683 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,0,0,0,0,0|2,0,0]=2 684 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,0,0,0,0,0|2,0,0]=2 685 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [0,0,0,0,0,0|3,0,0]=3 686 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [0,0,0,0,0,0|3,0,0]=3 687 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [0,0,0,0,0,0|2,0,1]=3 688 B16R0.274 CCOCCCCCCCCCOCC(C)O 34a_100009875440_100011218427 [0,0,0,0,0,0|3,0,1]=4 689 B16R0.274 CCOCCCCCCCCCOCC(C)O 7a_100009875440_100011218427 [0,0,0,0,0,0|3,0,1]=4 690 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 34a_100009875440_100009817552 [0,0,0,0,0,0|3,0,1]=4 691 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 7a_100009875440_100009817552 [0,0,0,0,0,0|3,0,1]=4 692 B16R0.274 CCOCCCCCCCCCOC[N+](=O)[O-] 34a_100009875440_100000761209 [0,0,0,0,0,0|3,0,1]=4 693 B16R0.274 CCOCCCNCCCCCCNC(=O)C 2230a_200011996284_100012232248 [0,0,0,0,0,0|4,0,0]=4 694 B16R0.274 CCOCCCNCCCCCCNC(=O)C 34a_200011996284_100012232248 [0,0,0,0,0,0|4,0,0]=4 695 B16R0.274 CCOCCCNCCOCCOCC(=O)O 269956a_100009854275_100012232248 [0,0,0,0,0,0|4,0,0]=4 696 B16R0.274 CCOCCOCCNCCCCCC(=O)N 2230a_100102712874_100009817443 [0,0,0,0,0,0|4,0,0]=4 697 B16R0.274 CCOCCOCCNCCCCCC(=O)N 34a_100102712874_100009817443 [0,0,0,0,0,0|4,0,0]=4 698 B16R0.274 CCOCCOCCOCCCCCC(=O)N 34a_100000123541_100011211534 [0,0,0,0,0,0|4,0,0]=4 699 B16R0.274 CCOCCOCCOCCCCCC(=O)N 34a_100000210240_100009817443 [0,0,0,0,0,0|4,0,0]=4 700 B16R0.274 CCOCCOCCOCCCCCC(=O)N 7a_100000123541_100011211534 [0,0,0,0,0,0|4,0,0]=4 701 B16R0.274 CCOCCOCCOCCCCCC(=O)N 7a_100000210240_100009817443 [0,0,0,0,0,0|4,0,0]=4 702 B16R0.274 CCOCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011211534 [0,0,0,0,0,0|3,0,1]=4 703 B16R0.274 CCOCCOCCSCCCCCC(=O)N 62a_100009817443_100011211534 [0,0,0,0,0,0|4,0,0]=4 704 B16R0.274 CCOCCOCCSCCCCCC(=O)N 62a_100011211534_100009817443 [0,0,0,0,0,0|4,0,0]=4 705 B16R0.274 CN(C)CCCCCCCCCCCCCO 2230a_100102631434_100009812470 [0,0,0,0,0,0|4,0,0]=4 706 B16R0.274 CN(C)CCCCCCCCCCCCCO 269982a_100102631434_100009812470 [0,0,0,0,0,0|4,0,0]=4 707 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [0,0,0,0,0,0|3,0,0]=3 708 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [0,0,0,0,0,0|3,0,0]=3 709 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [0,0,0,0,0,0|3,0,0]=3 710 B16R0.274 CNCCCCCOCCCCCCB(O)O 34a_100000722520_100009817187 [0,0,0,0,0,0|3,0,1]=4 711 B16R0.274 CNCCCCCOCCCCCOC(=O)C 34a_100000722520_100000033007 [0,0,0,0,0,0|4,0,0]=4 712 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [0,0,0,0,0,0|3,0,0]=3 713 B16R0.274 COCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011998445 [0,0,0,0,0,0|4,0,0]=4 714 B16R0.274 COCCCCCCNCCCCNC(=O)C 34a_200011368371_100011998445 [0,0,0,0,0,0|4,0,0]=4 715 B16R0.274 COCCCCCCOCCCCCB(O)O 34a_200012092642_200009817188 [0,0,0,0,0,0|3,0,1]=4 716 B16R0.274 COCCCCCCOCCCCCB(O)O 7a_200012092642_200009817188 [0,0,0,0,0,0|3,0,1]=4 717 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [0,0,0,0,0,0|3,0,0]=3 718 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [0,0,0,0,0,0|3,0,0]=3 719 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [0,0,0,0,0,0|3,0,0]=3 720 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [0,0,0,0,0,0|3,0,0]=3 721 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [0,0,0,0,0,0|2,0,1]=3 722 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_100000073216_100011998445 [0,0,0,0,0,0|4,0,0]=4 723 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_200012092642_100000033659 [0,0,0,0,0,0|4,0,0]=4 724 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_100000073216_100011998445 [0,0,0,0,0,0|4,0,0]=4 725 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_200012092642_100000033659 [0,0,0,0,0,0|4,0,0]=4 726 B16R0.274 COCCCCCCOCCCCSC(=O)C 34a_200012092642_200010402107 [0,0,0,0,0,0|4,0,0]=4 727 B16R0.274 COCCCCCCOCCCCSC(=O)C 7a_200012092642_200010402107 [0,0,0,0,0,0|4,0,0]=4 728 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_100011998445_200009817188 [0,0,0,0,0,0|3,0,1]=4 729 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_200009817188_100011998445 [0,0,0,0,0,0|3,0,1]=4 730 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [0,0,0,0,0,0|3,0,0]=3 731 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [0,0,0,0,0,0|3,0,0]=3 732 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100000033659_100011998445 [0,0,0,0,0,0|4,0,0]=4 733 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100011998445_100000033659 [0,0,0,0,0,0|4,0,0]=4 734 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_100011998445_200010402107 [0,0,0,0,0,0|4,0,0]=4 735 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_200010402107_100011998445 [0,0,0,0,0,0|4,0,0]=4 736 B16R0.274 COCCCCCNCCCCCCB(O)O 2230a_100000747528_100009817187 [0,0,0,0,0,0|3,0,1]=4 737 B16R0.274 COCCCCCNCCCCCCB(O)O 34a_100000747528_100009817187 [0,0,0,0,0,0|3,0,1]=4 738 B16R0.274 COCCCCCNCCCCCOC(=O)C 2230a_100000747528_100009813381 [0,0,0,0,0,0|4,0,0]=4 739 B16R0.274 COCCCCCNCCCCCOC(=O)C 34a_100000747528_100000033007 [0,0,0,0,0,0|4,0,0]=4 740 B16R0.274 COCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000730899 [0,0,0,0,0,0|4,0,0]=4 741 B16R0.274 COCCCCNCCCCCCNC(=O)C 34a_200011996284_100000755781 [0,0,0,0,0,0|4,0,0]=4 742 B16R0.274 COCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000730899 [0,0,0,0,0,0|4,0,0]=4 743 B16R0.274 COCCCOCCCOCCCCC(=O)C 34a_200011215475_100009817362 [0,0,0,0,0,0|4,0,0]=4 744 B16R0.274 COCCCOCCCOCCCCC(=O)C 7a_200011215475_100000735457 [0,0,0,0,0,0|4,0,0]=4 745 B16R0.274 COCCOCCCNCCCCCC(=O)N 2230a_100000206027_100009817443 [0,0,0,0,0,0|4,0,0]=4 746 B16R0.274 COCCOCCCNCCCCCC(=O)N 34a_100000206027_100009817443 [0,0,0,0,0,0|4,0,0]=4 747 B16R0.274 COCCOCCCOCCCCCC(=O)N 34a_100000123541_100011216529 [0,0,0,0,0,0|4,0,0]=4 748 B16R0.274 COCCOCCCOCCCCCC(=O)N 7a_100000123541_100011216529 [0,0,0,0,0,0|4,0,0]=4 749 B16R0.274 COCCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216529 [0,0,0,0,0,0|3,0,1]=4 750 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100009817443_100011216529 [0,0,0,0,0,0|4,0,0]=4 751 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100011216529_100009817443 [0,0,0,0,0,0|4,0,0]=4 752 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [0,0,0,0,0,0|3,0,0]=3 753 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [0,0,0,0,0,0|3,0,0]=3 754 B16R0.274 CS(=O)CCCNCCCCCCCCCO 2230a_200000753449_100009813782 [0,0,0,0,0,0|4,0,0]=4 755 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_100010140907_200000210301 [0,0,0,0,0,0|3,0,0]=3 756 B16R0.274 CSCCCCCCCCCCCSC(=O)C 62a_200000210301_100010140907 [0,0,0,0,0,0|3,0,0]=3 757 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [0,0,0,0,0,0|3,0,0]=3 758 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [0,0,0,0,0,0|3,0,0]=3 759 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [0,0,0,0,0,0|3,0,1]=4 760 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [0,0,0,0,0,0|3,0,1]=4 761 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [0,0,0,0,0,0|3,0,1]=4 762 B16R0.274 N#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100009813337 [0,0,0,0,0,0|3,0,1]=4 763 B16R0.274 N#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813337 [0,0,0,0,0,0|2,0,2]=4 764 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009813337_100009817443 [0,0,0,0,0,0|3,0,1]=4 765 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100009813337 [0,0,0,0,0,0|3,0,1]=4 766 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_100011215382_200010167045 [0,0,0,0,0,0|3,0,1]=4 767 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215382 [0,0,0,0,0,0|3,0,1]=4 768 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [0,0,0,0,0,0|3,0,0]=3 769 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [0,0,0,0,0,0|3,0,0]=3 770 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [0,0,0,0,0,0|3,0,0]=3 771 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [0,0,0,0,0,0|3,0,0]=3 772 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200010167045_200015260668 [0,0,0,0,0,0|3,0,1]=4 773 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200015260668_200010167045 [0,0,0,0,0,0|3,0,1]=4 774 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [0,0,0,0,0,0|3,0,0]=3 775 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [0,0,0,0,0,0|3,0,0]=3 776 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [0,0,0,0,0,0|3,0,0]=3 777 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [0,0,0,0,0,0|3,0,0]=3 778 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [0,0,0,0,0,0|3,0,0]=3 779 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [0,0,0,0,0,0|3,0,0]=3 780 B16R0.274 NC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009817443 [0,0,0,0,0,0|4,0,0]=4 781 B16R0.274 NC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009817443 [0,0,0,0,0,0|4,0,0]=4 782 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [0,0,0,0,0,0|3,0,0]=3 783 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [0,0,0,0,0,0|3,0,0]=3 784 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [0,0,0,0,0,0|3,0,0]=3 785 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [0,0,0,0,0,0|3,0,0]=3 786 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [0,0,0,0,0,0|3,0,0]=3 787 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [0,0,0,0,0,0|3,0,0]=3 788 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,0,0,0,0,0|3,0,0]=3 789 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,0,0,0,0,0|3,0,0]=3 790 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,0,0,0,0,0|3,0,0]=3 791 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,0,0,0,0,0|3,0,0]=3 792 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,0,0,0,0,0|3,0,0]=3 793 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,0,0,0,0,0|3,0,0]=3 794 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,0,0,0,0,0|3,0,0]=3 795 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,0,0,0,0,0|3,0,0]=3 796 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,0,0,0,0,0|3,0,0]=3 797 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,0,0,0,0,0|3,0,0]=3 798 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,0,0,0,0,0|3,0,0]=3 799 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,0,0,0,0,0|3,0,0]=3 800 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,0,0,0,0,0|3,0,0]=3 801 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,0,0,0,0,0|3,0,0]=3 802 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,0,0,0,0,0|3,0,0]=3 803 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,0,0,0,0,0|3,0,0]=3 804 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,0,0,0,0,0|3,0,0]=3 805 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,0,0,0,0,0|3,0,0]=3 806 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,0,0,0,0,0|3,0,0]=3 807 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,0,0,0,0,0|3,0,0]=3 808 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,0,0,0,0,0|3,0,0]=3 809 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [0,0,0,0,0,0|3,0,0]=3 810 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [0,0,0,0,0,0|3,0,0]=3 811 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [0,0,0,0,0,0|3,0,0]=3 812 B16R0.274 NC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000076697 [0,0,0,0,0,0|4,0,0]=4 813 B16R0.274 NC(=O)COCCNCCCCCCCCO 34a_102515433106_100000076697 [0,0,0,0,0,0|4,0,0]=4 814 B16R0.274 NC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000076697 [0,0,0,0,0,0|4,0,0]=4 815 B16R0.274 NC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000076697 [0,0,0,0,0,0|4,0,0]=4 816 B16R0.274 NC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000076697 [0,0,0,0,0,0|4,0,0]=4 817 B16R0.274 NC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000076697 [0,0,0,0,0,0|4,0,0]=4 818 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000033203_100000076697 [0,0,0,0,0,0|4,0,0]=4 819 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000076697_100000033203 [0,0,0,0,0,0|4,0,0]=4 820 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [0,0,0,0,0,0|3,0,0]=3 821 B16R0.274 NC(=O)NCCNCCCCCCCCCO 2230a_100000078944_200000034859 [0,0,0,0,0,0|4,0,0]=4 822 B16R0.274 NC(=O)NCCNCCCCCCCCCO 34a_100020590234_100009813782 [0,0,0,0,0,0|4,0,0]=4 823 B16R0.274 NC(=O)NCCOCCCCCCCCCBr 7a_100009813782_200000034859 [0,0,0,0,0,0|4,0,0]=4 824 B16R0.274 NC(=O)NCCOCCCCCCCCCCl 7a_100009868337_200000034859 [0,0,0,0,0,0|4,0,0]=4 825 B16R0.274 NC(=O)NCCOCCCCCCCCCO 34a_100000181757_100009813782 [0,0,0,0,0,0|4,0,0]=4 826 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_100009813782_200000034859 [0,0,0,0,0,0|4,0,0]=4 827 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_200000034859_100009813782 [0,0,0,0,0,0|4,0,0]=4 828 B16R0.274 NC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011214921 [0,0,0,0,0,0|4,0,0]=4 829 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011214921 [0,0,0,0,0,0|4,0,0]=4 830 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011214921 [0,0,0,0,0,0|4,0,0]=4 831 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011214921 [0,0,0,0,0,0|4,0,0]=4 832 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011214921 [0,0,0,0,0,0|4,0,0]=4 833 B16R0.274 NC(=O)OCCOCCCCCCCCCO 7a_100000766696_100009813782 [0,0,0,0,0,0|4,0,0]=4 834 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011214921 [0,0,0,0,0,0|4,0,0]=4 835 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_200011214921_100009813782 [0,0,0,0,0,0|4,0,0]=4 836 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,0,0,0,0,0|3,0,0]=3 837 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,0,0,0,0,0|3,0,0]=3 838 B16R0.274 NCCCCCCCCCOCCOC(=O)N 34a_100000078944_200011214921 [0,0,0,0,0,0|4,0,0]=4 839 B16R0.274 NCCCCCCCCOCCCCB(O)O 34a_102515433106_200009817182 [0,0,0,0,0,0|3,0,1]=4 840 B16R0.274 NCCCCCCCCOCCOCC(=O)N 34a_102515433106_100000076697 [0,0,0,0,0,0|4,0,0]=4 841 B16R0.274 NCCCCCCCOCCCCCB(O)O 34a_100011996573_200009817188 [0,0,0,0,0,0|3,0,1]=4 842 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [0,0,0,0,0,0|3,0,0]=3 843 B16R0.274 NCCCCCCOCCCCCCB(O)O 34a_100000686447_100009817187 [0,0,0,0,0,0|3,0,1]=4 844 B16R0.274 NCCCOCCCOCCCCCC(=O)N 34a_100011310245_100009817443 [0,0,0,0,0,0|4,0,0]=4 845 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [0,0,0,0,0,0|3,0,0]=3 846 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,0,0,0,0,0|2,0,0]=2 847 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,0,0,0,0,0|3,0,0]=3 848 B16R0.274 O=C(O)COCCOCCNCCCCCF 269956a_100009854275_100000729378 [0,0,0,0,0,0|4,0,0]=4 849 B16R0.274 O=C(O)COCCOCCNCCCCCO 269956a_100009854275_100000746330 [0,0,0,0,0,0|4,0,0]=4 850 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [0,0,0,0,0,0|3,0,0]=3 851 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [0,0,0,0,0,0|2,0,1]=3 852 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [0,0,0,0,0,0|2,0,1]=3 853 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [0,0,0,0,0,0|2,0,1]=3 854 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 34a_200015379883_100000033203 [0,0,0,0,0,0|3,0,1]=4 855 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 7a_200015379883_100000033203 [0,0,0,0,0,0|3,0,1]=4 856 B16R0.274 O=[N+]([O-])CCCOCCCCCCCCCO 34a_200000037920_100009813782 [0,0,0,0,0,0|3,0,1]=4 857 B16R0.274 O=[N+]([O-])COCCCCCCCCCCCBr 34a_100009812471_100000761209 [0,0,0,0,0,0|3,0,1]=4 858 B16R0.274 O=[N+]([O-])CSCCCCCCCCCCCO 62a_100009812471_100000761209 [0,0,0,0,0,0|3,0,1]=4 859 B16R0.274 OB(O)CCCCCCOCCCCCCBr 34a_100011215345_100009817187 [0,0,0,0,0,0|3,0,1]=4 860 B16R0.274 OB(O)CCCCCCOCCCCCCBr 7a_100011215345_100009817187 [0,0,0,0,0,0|3,0,1]=4 861 B16R0.274 OB(O)CCCCCCOCCCCCCCl 34a_100000766143_100009817187 [0,0,0,0,0,0|3,0,1]=4 862 B16R0.274 OB(O)CCCCCCOCCCCCCCl 7a_100000766143_100009817187 [0,0,0,0,0,0|3,0,1]=4 863 B16R0.274 OB(O)CCCCCCOCCCCCCF 34a_100000732779_100009817187 [0,0,0,0,0,0|3,0,1]=4 864 B16R0.274 OB(O)CCCCCCOCCCCCCF 7a_100000732779_100009817187 [0,0,0,0,0,0|3,0,1]=4 865 B16R0.274 OB(O)CCCCCCSCCCCCCF 62a_100009817187_100015922095 [0,0,0,0,0,0|3,0,1]=4 866 B16R0.274 OB(O)CCCCCCSCCCCCCF 62a_100015922095_100009817187 [0,0,0,0,0,0|3,0,1]=4 867 B16R0.274 OB(O)CCCCCOCCCCCCCBr 34a_100000760002_200009817188 [0,0,0,0,0,0|3,0,1]=4 868 B16R0.274 OB(O)CCCCCOCCCCCCCBr 7a_100000760002_200009817188 [0,0,0,0,0,0|3,0,1]=4 869 B16R0.274 OB(O)CCCCOCCCCCCCCBr 34a_100009813846_200009817182 [0,0,0,0,0,0|3,0,1]=4 870 B16R0.274 OB(O)CCCCOCCCCCCCCBr 7a_100009813846_200009817182 [0,0,0,0,0,0|3,0,1]=4 871 B16R0.274 OB(O)CCCCOCCCCCCCCCl 34a_100000033203_200009817182 [0,0,0,0,0,0|3,0,1]=4 872 B16R0.274 OB(O)CCCCOCCCCCCCCCl 7a_100000033203_200009817182 [0,0,0,0,0,0|3,0,1]=4 873 B16R0.274 OCCCCCCCCNCCCCB(O)O 2230a_102515433106_200009817182 [0,0,0,0,0,0|3,0,1]=4 874 B16R0.274 OCCCCCCCCNCCCCB(O)O 34a_102515433106_200009817182 [0,0,0,0,0,0|3,0,1]=4 875 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_100000033203_200009817182 [0,0,0,0,0,0|3,0,1]=4 876 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_200009817182_100000033203 [0,0,0,0,0,0|3,0,1]=4 877 B16R0.274 OCCCCCCCNCCCCCB(O)O 2230a_100011996573_200009817188 [0,0,0,0,0,0|3,0,1]=4 878 B16R0.274 OCCCCCCCNCCCCCB(O)O 34a_100011996573_200009817188 [0,0,0,0,0,0|3,0,1]=4 879 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_100000760002_200009817188 [0,0,0,0,0,0|3,0,1]=4 880 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_200009817188_100000760002 [0,0,0,0,0,0|3,0,1]=4 881 B16R0.274 OCCCCCCNCCCCCCB(O)O 2230a_100000686447_100009817187 [0,0,0,0,0,0|3,0,1]=4 882 B16R0.274 OCCCCCCNCCCCCCB(O)O 34a_100000686447_100009817187 [0,0,0,0,0,0|3,0,1]=4 883 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100000766143_100009817187 [0,0,0,0,0,0|3,0,1]=4 884 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100009817187_100000766143 [0,0,0,0,0,0|3,0,1]=4 885 B15R0.70 C#CCCCCCCCCCCOCC=O 34a_100000054667_200009817547 [1,0,0,0,0,0|1,0,2]=4 886 B15R0.70 C#CCCCCCCCCCCOCC=O 7a_100000054667_200015260668 [1,0,0,0,0,0|1,0,2]=4 887 B15R0.70 C#CCCCCCCCCCCOCCC 34a_100000054667_100000210303 [1,0,0,0,0,0|2,0,1]=4 888 B15R0.70 C#CCCCCCCCCCCOCCC 7a_100000054667_100000210303 [1,0,0,0,0,0|2,0,1]=4 889 B15R0.70 C#CCCCCCCCCCOCCCC 34a_100000034437_100000210210 [1,0,0,0,0,0|2,0,1]=4 890 B15R0.70 C#CCCCCCCCCCOCCCC 7a_100000034437_100000210211 [1,0,0,0,0,0|2,0,1]=4 891 B15R0.70 C#CCCCCCCCCOCCCC=O 7a_100000065265_200011292268 [1,0,0,0,0,0|1,0,2]=4 892 B15R0.70 C#CCCCCCCCCOCCCCC 34a_100000065265_100000718602 [1,0,0,0,0,0|2,0,1]=4 893 B15R0.70 C#CCCCCCCCCOCCCCC 7a_100000065265_100000210326 [1,0,0,0,0,0|2,0,1]=4 894 B15R0.70 C#CCCCCCCCNCCCCCC 2230a_100000210581_100153394163 [1,0,0,0,0,0|2,0,1]=4 895 B15R0.70 C#CCCCCCCCOCCCCC=O 7a_100000054614_100000139335 [1,0,0,0,0,0|1,0,2]=4 896 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000054614_100000210314 [1,0,0,0,0,0|2,0,1]=4 897 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000210259_100153394163 [1,0,0,0,0,0|2,0,1]=4 898 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000054614_100000210314 [1,0,0,0,0,0|2,0,1]=4 899 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000210259_100153394163 [1,0,0,0,0,0|2,0,1]=4 900 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100000139335_100153394163 [1,0,0,0,0,0|1,0,2]=4 901 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100153394163_100000139335 [1,0,0,0,0,0|1,0,2]=4 902 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100000210314_100153394163 [1,0,0,0,0,0|2,0,1]=4 903 B15R0.70 C#CCCCCCCCSCCCCCC 62a_100153394163_100000210757 [1,0,0,0,0,0|2,0,1]=4 904 B15R0.70 C#CCCCCCCNCCCCCCC 2230a_100000229938_100012276617 [1,0,0,0,0,0|2,0,1]=4 905 B15R0.70 C#CCCCCCCOCCCCCC=O 7a_100011217361_100000139337 [1,0,0,0,0,0|1,0,2]=4 906 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100000210272_100012276617 [1,0,0,0,0,0|2,0,1]=4 907 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100011217361_100000210614 [1,0,0,0,0,0|2,0,1]=4 908 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100000210272_100012276617 [1,0,0,0,0,0|2,0,1]=4 909 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100011217361_100000210614 [1,0,0,0,0,0|2,0,1]=4 910 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100000139337_100012276617 [1,0,0,0,0,0|1,0,2]=4 911 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100012276617_100000139337 [1,0,0,0,0,0|1,0,2]=4 912 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100000210614_100012276617 [1,0,0,0,0,0|2,0,1]=4 913 B15R0.70 C#CCCCCCCSCCCCCCC 62a_100012276617_100000210316 [1,0,0,0,0,0|2,0,1]=4 914 B15R0.70 C#CCCCCCNCCCCCCCC 2230a_100000229939_100012094781 [1,0,0,0,0,0|2,0,1]=4 915 B15R0.70 C#CCCCCCNCCCCCCCC 34a_100000229939_100012094781 [1,0,0,0,0,0|2,0,1]=4 916 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000210232_100012094781 [1,0,0,0,0,0|2,0,1]=4 917 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000766912_100000210759 [1,0,0,0,0,0|2,0,1]=4 918 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000210232_100012094781 [1,0,0,0,0,0|2,0,1]=4 919 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000766912_100000210759 [1,0,0,0,0,0|2,0,1]=4 920 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100000210759_100012094781 [1,0,0,0,0,0|2,0,1]=4 921 B15R0.70 C#CCCCCCSCCCCCCCC 62a_100012094781_100000210317 [1,0,0,0,0,0|2,0,1]=4 922 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000212291_100010269958 [1,0,0,0,0,0|2,0,1]=4 923 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000706060_100011214924 [1,0,0,0,0,0|2,0,1]=4 924 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000212291_100010269958 [1,0,0,0,0,0|2,0,1]=4 925 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000706060_100011214924 [1,0,0,0,0,0|2,0,1]=4 926 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000210712_100010269958 [1,0,0,0,0,0|2,0,1]=4 927 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000766709_100011214924 [1,0,0,0,0,0|2,0,1]=4 928 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000210712_100010269958 [1,0,0,0,0,0|2,0,1]=4 929 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000766709_100000210328 [1,0,0,0,0,0|2,0,1]=4 930 B15R0.70 C#CCCCCSCCCCCCCCC 62a_100010269958_100000210670 [1,0,0,0,0,0|2,0,1]=4 931 B15R0.70 C#CCCCNCCCCCCCCCC 2230a_100000684558_100000731252 [1,0,0,0,0,0|2,0,1]=4 932 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000684558_100000695029 [1,0,0,0,0,0|2,0,1]=4 933 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000718082_100000210320 [1,0,0,0,0,0|2,0,1]=4 934 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000210711_100000695029 [1,0,0,0,0,0|2,0,1]=4 935 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000215630_100000210320 [1,0,0,0,0,0|2,0,1]=4 936 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000210711_100011215417 [1,0,0,0,0,0|2,0,1]=4 937 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000215630_100000210320 [1,0,0,0,0,0|2,0,1]=4 938 B15R0.70 C#CCCCSCCCCCCCCCC 62a_100011215417_100000210320 [1,0,0,0,0,0|2,0,1]=4 939 B15R0.70 C#CCCNCCCCCCCCCCC 2230a_200011215754_100000688953 [1,0,0,0,0,0|2,0,1]=4 940 B15R0.70 C#CCCNCCCCCCCCCCC 34a_100000755551_100011215454 [1,0,0,0,0,0|2,0,1]=4 941 B15R0.70 C#CCCNCCCCCCCCCCC 34a_200011215754_100000688953 [1,0,0,0,0,0|2,0,1]=4 942 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100000210809_100000688953 [1,0,0,0,0,0|2,0,1]=4 943 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100011215631_100011215454 [1,0,0,0,0,0|2,0,1]=4 944 B15R0.70 C#CCCOCCCCCCCCCCC 7a_100000210809_100000688953 [1,0,0,0,0,0|2,0,1]=4 945 B15R0.70 C#CCCSCCCCCCCCCCC 62a_100000688953_100011215454 [1,0,0,0,0,0|2,0,1]=4 946 B15R0.70 C#CCNCCCCCCCCCCCC 2230a_100000210451_100000038162 [1,0,0,0,0,0|2,0,1]=4 947 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000210451_100000184674 [1,0,0,0,0,0|2,0,1]=4 948 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000212058_100000759014 [1,0,0,0,0,0|2,0,1]=4 949 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210247_100000759014 [1,0,0,0,0,0|2,0,1]=4 950 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210810_100000184674 [1,0,0,0,0,0|2,0,1]=4 951 B15R0.70 C#CCOCCCCCCCCCCCC 7a_100000210810_100000038162 [1,0,0,0,0,0|2,0,1]=4 952 B15R0.70 C#CCSCCCCCCCCCCCC 62a_100000038162_100000759014 [1,0,0,0,0,0|2,0,1]=4 953 B15R0.70 C/C=C/CCOCCCCCCCCCC 34a_100016278192_100000210320 [1,0,0,0,0,0|2,0,1]=4 954 B15R0.70 C/C=C/CNCCCCCCCCCCC 34a_200011215754_100102629194 [1,0,0,0,0,0|2,0,1]=4 955 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100000210809_100102629194 [1,0,0,0,0,0|2,0,1]=4 956 B15R0.70 C/C=C/COCCCCCCCCCCC 34a_100016270725_100011215454 [1,0,0,0,0,0|2,0,1]=4 957 B15R0.70 C/C=C/COCCCCCCCCCCC 7a_100000210809_100102629194 [1,0,0,0,0,0|2,0,1]=4 958 B15R0.70 C/C=C/CSCCCCCCCCCCC 62a_100102629194_100011215454 [1,0,0,0,0,0|2,0,1]=4 959 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [1,0,0,0,0,0|2,0,0]=3 960 B15R0.70 C=CCCCCCCCCCCCOCC 34a_100121572206_102130925996 [1,0,0,0,0,0|2,0,0]=3 961 B15R0.70 C=CCCCCCCCCCCCSCC 62a_100000210202_102130925996 [1,0,0,0,0,0|2,0,0]=3 962 B15R0.70 C=CCCCCCCCCCCCSCC 62a_102130925996_100000210202 [1,0,0,0,0,0|2,0,0]=3 963 B15R0.70 C=CCCCCCCCCCCCSCF 62a_100015361967_102130925996 [1,0,0,0,0,0|3,0,0]=4 964 B15R0.70 C=CCCCCCCCCCCCSCF 62a_102130925996_100015361967 [1,0,0,0,0,0|3,0,0]=4 965 B15R0.70 C=CCCCCCCCCCCNCCF 34a_100000724931_100011093070 [1,0,0,0,0,0|3,0,0]=4 966 B15R0.70 C=CCCCCCCCCCCNCCO 2230a_100016997473_100011093070 [1,0,0,0,0,0|3,0,0]=4 967 B15R0.70 C=CCCCCCCCCCCNCCO 34a_100016990907_100011093070 [1,0,0,0,0,0|3,0,0]=4 968 B15R0.70 C=CCCCCCCCCCCOCCBr 34a_100000211926_100011093070 [1,0,0,0,0,0|3,0,0]=4 969 B15R0.70 C=CCCCCCCCCCCOCCC 34a_100000210258_100011093070 [1,0,0,0,0,0|2,0,0]=3 970 B15R0.70 C=CCCCCCCCCCCOCCN 34a_100000210304_100011093070 [1,0,0,0,0,0|3,0,0]=4 971 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_100011093070_200015260668 [1,0,0,0,0,0|1,0,2]=4 972 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_200015260668_100011093070 [1,0,0,0,0,0|1,0,2]=4 973 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100000210303_100011093070 [1,0,0,0,0,0|2,0,0]=3 974 B15R0.70 C=CCCCCCCCCCCSCCC 62a_100011093070_100000210303 [1,0,0,0,0,0|2,0,0]=3 975 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011093070_100011217306 [1,0,0,0,0,0|3,0,0]=4 976 B15R0.70 C=CCCCCCCCCCCSCCF 62a_100011217306_100011093070 [1,0,0,0,0,0|3,0,0]=4 977 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100000211926_100011093070 [1,0,0,0,0,0|3,0,0]=4 978 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100011093070_100000211926 [1,0,0,0,0,0|3,0,0]=4 979 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100000766300_100011093070 [1,0,0,0,0,0|3,0,0]=4 980 B15R0.70 C=CCCCCCCCCCCSCOC 62a_100011093070_100000766300 [1,0,0,0,0,0|3,0,0]=4 981 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011093070_100011218213 [1,0,0,0,0,0|3,0,0]=4 982 B15R0.70 C=CCCCCCCCCCCSCSC 62a_100011218213_100011093070 [1,0,0,0,0,0|3,0,0]=4 983 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000081888_100000210211 [1,0,0,0,0,0|2,0,0]=3 984 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000102301_100009814027 [1,0,0,0,0,0|2,0,0]=3 985 B15R0.70 C=CCCCCCCCCCNCCCC 34a_100000081888_100000210210 [1,0,0,0,0,0|2,0,0]=3 986 B15R0.70 C=CCCCCCCCCCNCCCC 7a_106832991798_100009814027 [1,0,0,0,0,0|2,0,0]=3 987 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100000081888_100011934791 [1,0,0,0,0,0|3,0,0]=4 988 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100015189416_100009814027 [1,0,0,0,0,0|3,0,0]=4 989 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100000081888_100011934791 [1,0,0,0,0,0|3,0,0]=4 990 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100015189416_100009814027 [1,0,0,0,0,0|3,0,0]=4 991 B15R0.70 C=CCCCCCCCCCNCCCO 2230a_100000081888_100000230001 [1,0,0,0,0,0|3,0,0]=4 992 B15R0.70 C=CCCCCCCCCCNCCCO 34a_100000081888_100000230001 [1,0,0,0,0,0|3,0,0]=4 993 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000081888_100011201679 [1,0,0,0,0,0|3,0,0]=4 994 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000209980_100009814027 [1,0,0,0,0,0|3,0,0]=4 995 B15R0.70 C=CCCCCCCCCCNCCOC 34a_100000081888_100011201679 [1,0,0,0,0,0|3,0,0]=4 996 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100000081888_100000751147 [1,0,0,0,0,0|3,0,0]=4 997 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100020590264_100009814027 [1,0,0,0,0,0|3,0,0]=4 998 B15R0.70 C=CCCCCCCCCCNCCSC 34a_100000081888_100000212216 [1,0,0,0,0,0|3,0,0]=4 999 B15R0.70 C=CCCCCCCCCCOCCCBr 34a_100011217188_100009814027 [1,0,0,0,0,0|3,0,0]=4 1000 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000038209_100000210210 [1,0,0,0,0,0|2,0,0]=3 1001 B15R0.70 C=CCCCCCCCCCOCCCC 34a_100000210227_100009814027 [1,0,0,0,0,0|2,0,0]=3 1002 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000038209_100000210211 [1,0,0,0,0,0|2,0,0]=3 1003 B15R0.70 C=CCCCCCCCCCOCCCC 7a_100000210227_100009814027 [1,0,0,0,0,0|2,0,0]=3 1004 B15R0.70 C=CCCCCCCCCCOCCCCl 34a_100000230001_100009814027 [1,0,0,0,0,0|3,0,0]=4 1005 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000038209_100011934791 [1,0,0,0,0,0|3,0,0]=4 1006 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000759539_100009814027 [1,0,0,0,0,0|3,0,0]=4 1007 B15R0.70 C=CCCCCCCCCCOCCCF 7a_100000038209_100011934791 [1,0,0,0,0,0|3,0,0]=4 1008 B15R0.70 C=CCCCCCCCCCOCCCN 34a_100000182051_100009814027 [1,0,0,0,0,0|3,0,0]=4 1009 B15R0.70 C=CCCCCCCCCCOCCCO 34a_100000038209_100000230001 [1,0,0,0,0,0|3,0,0]=4 1010 B15R0.70 C=CCCCCCCCCCOCCCO 7a_100000038209_100011215043 [1,0,0,0,0,0|3,0,0]=4 1011 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000038209_100011201679 [1,0,0,0,0,0|3,0,0]=4 1012 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000210237_100009814027 [1,0,0,0,0,0|3,0,0]=4 1013 B15R0.70 C=CCCCCCCCCCOCCOC 7a_100000038209_100000233755 [1,0,0,0,0,0|3,0,0]=4 1014 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000038209_100000212216 [1,0,0,0,0,0|3,0,0]=4 1015 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000230434_100009814027 [1,0,0,0,0,0|3,0,0]=4 1016 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000038209_100000212216 [1,0,0,0,0,0|3,0,0]=4 1017 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000230434_100009814027 [1,0,0,0,0,0|3,0,0]=4 1018 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100000210211_100009814027 [1,0,0,0,0,0|2,0,0]=3 1019 B15R0.70 C=CCCCCCCCCCSCCCC 62a_100009814027_100000210210 [1,0,0,0,0,0|2,0,0]=3 1020 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100009814027_100011934791 [1,0,0,0,0,0|3,0,0]=4 1021 B15R0.70 C=CCCCCCCCCCSCCCF 62a_100011934791_100009814027 [1,0,0,0,0,0|3,0,0]=4 1022 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100009814027_100011215043 [1,0,0,0,0,0|3,0,0]=4 1023 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100011215043_100009814027 [1,0,0,0,0,0|3,0,0]=4 1024 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100000233755_100009814027 [1,0,0,0,0,0|3,0,0]=4 1025 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100009814027_100000233755 [1,0,0,0,0,0|3,0,0]=4 1026 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100000212216_100009814027 [1,0,0,0,0,0|3,0,0]=4 1027 B15R0.70 C=CCCCCCCCCCSCCSC 62a_100009814027_100000751147 [1,0,0,0,0,0|3,0,0]=4 1028 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100000739092_100009814027 [1,0,0,0,0,0|3,0,0]=4 1029 B15R0.70 C=CCCCCCCCCCSCOCC 62a_100009814027_100000739092 [1,0,0,0,0,0|3,0,0]=4 1030 B15R0.70 C=CCCCCCCCCNCCCCC 2230a_100000209983_100011933949 [1,0,0,0,0,0|2,0,0]=3 1031 B15R0.70 C=CCCCCCCCCNCCCCO 2230a_100000750430_100011933949 [1,0,0,0,0,0|3,0,0]=4 1032 B15R0.70 C=CCCCCCCCCNCCCCO 34a_100000750430_100011933949 [1,0,0,0,0,0|3,0,0]=4 1033 B15R0.70 C=CCCCCCCCCNCCCOC 34a_100150723488_100011933949 [1,0,0,0,0,0|3,0,0]=4 1034 B15R0.70 C=CCCCCCCCCNCCCSC 2230a_100000749238_100011933949 [1,0,0,0,0,0|3,0,0]=4 1035 B15R0.70 C=CCCCCCCCCNCCOCC 2230a_102516460346_100011933949 [1,0,0,0,0,0|3,0,0]=4 1036 B15R0.70 C=CCCCCCCCCNCCOCC 34a_102516460346_100011933949 [1,0,0,0,0,0|3,0,0]=4 1037 B15R0.70 C=CCCCCCCCCNCCSCC 2230a_100000106463_100011933949 [1,0,0,0,0,0|3,0,0]=4 1038 B15R0.70 C=CCCCCCCCCOCCCC=O 7a_100011215194_200011292268 [1,0,0,0,0,0|1,0,2]=4 1039 B15R0.70 C=CCCCCCCCCOCCCCBr 34a_100011216708_100011933949 [1,0,0,0,0,0|3,0,0]=4 1040 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100000210253_100011933949 [1,0,0,0,0,0|2,0,0]=3 1041 B15R0.70 C=CCCCCCCCCOCCCCC 34a_100011215194_100000718602 [1,0,0,0,0,0|2,0,0]=3 1042 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100000210253_100011933949 [1,0,0,0,0,0|2,0,0]=3 1043 B15R0.70 C=CCCCCCCCCOCCCCC 7a_100011215194_100000210326 [1,0,0,0,0,0|2,0,0]=3 1044 B15R0.70 C=CCCCCCCCCOCCCCCl 34a_100000210776_100011933949 [1,0,0,0,0,0|3,0,0]=4 1045 B15R0.70 C=CCCCCCCCCOCCCCCl 7a_100000210776_100011933949 [1,0,0,0,0,0|3,0,0]=4 1046 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011215194_100000729493 [1,0,0,0,0,0|3,0,0]=4 1047 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011995726_100011933949 [1,0,0,0,0,0|3,0,0]=4 1048 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011215194_100000729493 [1,0,0,0,0,0|3,0,0]=4 1049 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011995726_100011933949 [1,0,0,0,0,0|3,0,0]=4 1050 B15R0.70 C=CCCCCCCCCOCCCCI 34a_200012148704_100011933949 [1,0,0,0,0,0|3,0,0]=4 1051 B15R0.70 C=CCCCCCCCCOCCCCN 34a_100000750430_100011933949 [1,0,0,0,0,0|3,0,0]=4 1052 B15R0.70 C=CCCCCCCCCOCCCCO 34a_100011215194_100011216708 [1,0,0,0,0,0|3,0,0]=4 1053 B15R0.70 C=CCCCCCCCCOCCCCO 7a_100011215194_100000210776 [1,0,0,0,0,0|3,0,0]=4 1054 B15R0.70 C=CCCCCCCCCOCCCNC 34a_100000213112_100011933949 [1,0,0,0,0,0|3,0,0]=4 1055 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100000740835_100011933949 [1,0,0,0,0,0|3,0,0]=4 1056 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100011215194_100000740836 [1,0,0,0,0,0|3,0,0]=4 1057 B15R0.70 C=CCCCCCCCCOCCCOC 7a_100011215194_100000740836 [1,0,0,0,0,0|3,0,0]=4 1058 B15R0.70 C=CCCCCCCCCOCCCSC 34a_100000690336_100011933949 [1,0,0,0,0,0|3,0,0]=4 1059 B15R0.70 C=CCCCCCCCCOCCCSC 7a_100000690336_100011933949 [1,0,0,0,0,0|3,0,0]=4 1060 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100000210136_100011933949 [1,0,0,0,0,0|3,0,0]=4 1061 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100011215194_100000210147 [1,0,0,0,0,0|3,0,0]=4 1062 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100000210136_100011933949 [1,0,0,0,0,0|3,0,0]=4 1063 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100011215194_100011215890 [1,0,0,0,0,0|3,0,0]=4 1064 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100000212035_100011933949 [1,0,0,0,0,0|3,0,0]=4 1065 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100011215194_100000757381 [1,0,0,0,0,0|3,0,0]=4 1066 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100000212035_100011933949 [1,0,0,0,0,0|3,0,0]=4 1067 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100011215194_100000757381 [1,0,0,0,0,0|3,0,0]=4 1068 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_100011933949_200011292268 [1,0,0,0,0,0|1,0,2]=4 1069 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_200011292268_100011933949 [1,0,0,0,0,0|1,0,2]=4 1070 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100000210326_100011933949 [1,0,0,0,0,0|2,0,0]=3 1071 B15R0.70 C=CCCCCCCCCSCCCCC 62a_100011933949_100000210326 [1,0,0,0,0,0|2,0,0]=3 1072 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100000729493_100011933949 [1,0,0,0,0,0|3,0,0]=4 1073 B15R0.70 C=CCCCCCCCCSCCCCF 62a_100011933949_100000729493 [1,0,0,0,0,0|3,0,0]=4 1074 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100000210776_100011933949 [1,0,0,0,0,0|3,0,0]=4 1075 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100011933949_100000210776 [1,0,0,0,0,0|3,0,0]=4 1076 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100000709357_100011933949 [1,0,0,0,0,0|3,0,0]=4 1077 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100011933949_100000709357 [1,0,0,0,0,0|3,0,0]=4 1078 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100000210147_100011933949 [1,0,0,0,0,0|3,0,0]=4 1079 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100011933949_100011215890 [1,0,0,0,0,0|3,0,0]=4 1080 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100000757381_100011933949 [1,0,0,0,0,0|3,0,0]=4 1081 B15R0.70 C=CCCCCCCCCSCCSCC 62a_100011933949_100000757381 [1,0,0,0,0,0|3,0,0]=4 1082 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [1,0,0,0,0,0|2,0,0]=3 1083 B15R0.70 C=CCCCCCCCNCCCCCO 2230a_100000762737_100012355270 [1,0,0,0,0,0|3,0,0]=4 1084 B15R0.70 C=CCCCCCCCNCCCCCO 34a_100000762737_100012355270 [1,0,0,0,0,0|3,0,0]=4 1085 B15R0.70 C=CCCCCCCCNCCCOCC 2230a_100000210961_100012355270 [1,0,0,0,0,0|3,0,0]=4 1086 B15R0.70 C=CCCCCCCCNCCCOCC 34a_100000210961_100012355270 [1,0,0,0,0,0|3,0,0]=4 1087 B15R0.70 C=CCCCCCCCNCCOCCC 2230a_100161115042_100012355270 [1,0,0,0,0,0|3,0,0]=4 1088 B15R0.70 C=CCCCCCCCNCCOCCC 34a_100161115042_100012355270 [1,0,0,0,0,0|3,0,0]=4 1089 B15R0.70 C=CCCCCCCCNCCSCCC 2230a_100020603323_100012355270 [1,0,0,0,0,0|3,0,0]=4 1090 B15R0.70 C=CCCCCCCCOCCCCC=O 7a_100000730831_100000139335 [1,0,0,0,0,0|1,0,2]=4 1091 B15R0.70 C=CCCCCCCCOCCCCCBr 34a_100000746331_100012355270 [1,0,0,0,0,0|3,0,0]=4 1092 B15R0.70 C=CCCCCCCCOCCCCCBr 7a_100000746331_100012355270 [1,0,0,0,0,0|3,0,0]=4 1093 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000210259_100012355270 [1,0,0,0,0,0|2,0,0]=3 1094 B15R0.70 C=CCCCCCCCOCCCCCC 34a_100000730831_100000210314 [1,0,0,0,0,0|2,0,0]=3 1095 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000210259_100012355270 [1,0,0,0,0,0|2,0,0]=3 1096 B15R0.70 C=CCCCCCCCOCCCCCC 7a_100000730831_100000210314 [1,0,0,0,0,0|2,0,0]=3 1097 B15R0.70 C=CCCCCCCCOCCCCCCl 34a_100000746330_100012355270 [1,0,0,0,0,0|3,0,0]=4 1098 B15R0.70 C=CCCCCCCCOCCCCCCl 7a_100000746330_100012355270 [1,0,0,0,0,0|3,0,0]=4 1099 B15R0.70 C=CCCCCCCCOCCCCCF 34a_100000730831_100000729378 [1,0,0,0,0,0|3,0,0]=4 1100 B15R0.70 C=CCCCCCCCOCCCCCF 7a_100000730831_100000729378 [1,0,0,0,0,0|3,0,0]=4 1101 B15R0.70 C=CCCCCCCCOCCCCCI 34a_200012148887_100012355270 [1,0,0,0,0,0|3,0,0]=4 1102 B15R0.70 C=CCCCCCCCOCCCCCI 7a_200012148887_100012355270 [1,0,0,0,0,0|3,0,0]=4 1103 B15R0.70 C=CCCCCCCCOCCCCCN 34a_100000762737_100012355270 [1,0,0,0,0,0|3,0,0]=4 1104 B15R0.70 C=CCCCCCCCOCCCCCO 34a_100000730831_100000746330 [1,0,0,0,0,0|3,0,0]=4 1105 B15R0.70 C=CCCCCCCCOCCCCCO 7a_100000730831_100000746330 [1,0,0,0,0,0|3,0,0]=4 1106 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000730831_100000755781 [1,0,0,0,0,0|3,0,0]=4 1107 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000740925_100012355270 [1,0,0,0,0,0|3,0,0]=4 1108 B15R0.70 C=CCCCCCCCOCCCCOC 7a_100000730831_100000730899 [1,0,0,0,0,0|3,0,0]=4 1109 B15R0.70 C=CCCCCCCCOCCCCSC 34a_100011217163_100012355270 [1,0,0,0,0,0|3,0,0]=4 1110 B15R0.70 C=CCCCCCCCOCCCCSC 7a_100011217163_100012355270 [1,0,0,0,0,0|3,0,0]=4 1111 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000730831_100012232248 [1,0,0,0,0,0|3,0,0]=4 1112 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000757476_100012355270 [1,0,0,0,0,0|3,0,0]=4 1113 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000730831_100012232248 [1,0,0,0,0,0|3,0,0]=4 1114 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000757476_100012355270 [1,0,0,0,0,0|3,0,0]=4 1115 B15R0.70 C=CCCCCCCCOCCCSCC 34a_100011216438_100012355270 [1,0,0,0,0,0|3,0,0]=4 1116 B15R0.70 C=CCCCCCCCOCCCSCC 7a_100011216438_100012355270 [1,0,0,0,0,0|3,0,0]=4 1117 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000730831_100011215938 [1,0,0,0,0,0|3,0,0]=4 1118 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000752267_100012355270 [1,0,0,0,0,0|3,0,0]=4 1119 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000730831_100011215938 [1,0,0,0,0,0|3,0,0]=4 1120 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000752267_100012355270 [1,0,0,0,0,0|3,0,0]=4 1121 B15R0.70 C=CCCCCCCCOCCSCCC 34a_200000230433_100012355270 [1,0,0,0,0,0|3,0,0]=4 1122 B15R0.70 C=CCCCCCCCOCCSCCC 7a_200000230433_100012355270 [1,0,0,0,0,0|3,0,0]=4 1123 B15R0.70 C=CCCCCCCCOCOCCCC 34a_100000730831_100011995733 [1,0,0,0,0,0|3,0,0]=4 1124 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100000139335_100012355270 [1,0,0,0,0,0|1,0,2]=4 1125 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100012355270_100000139335 [1,0,0,0,0,0|1,0,2]=4 1126 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100000210314_100012355270 [1,0,0,0,0,0|2,0,0]=3 1127 B15R0.70 C=CCCCCCCCSCCCCCC 62a_100012355270_100000210757 [1,0,0,0,0,0|2,0,0]=3 1128 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100000729378_100012355270 [1,0,0,0,0,0|3,0,0]=4 1129 B15R0.70 C=CCCCCCCCSCCCCCF 62a_100012355270_100000729378 [1,0,0,0,0,0|3,0,0]=4 1130 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100000746330_100012355270 [1,0,0,0,0,0|3,0,0]=4 1131 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100012355270_100000746330 [1,0,0,0,0,0|3,0,0]=4 1132 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100000730899_100012355270 [1,0,0,0,0,0|3,0,0]=4 1133 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100012355270_100000730899 [1,0,0,0,0,0|3,0,0]=4 1134 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012232248_100012355270 [1,0,0,0,0,0|3,0,0]=4 1135 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012355270_100012232248 [1,0,0,0,0,0|3,0,0]=4 1136 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100011215938_100012355270 [1,0,0,0,0,0|3,0,0]=4 1137 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100012355270_100011215938 [1,0,0,0,0,0|3,0,0]=4 1138 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100011995733_100012355270 [1,0,0,0,0,0|3,0,0]=4 1139 B15R0.70 C=CCCCCCCCSCOCCCC 62a_100012355270_100011995733 [1,0,0,0,0,0|3,0,0]=4 1140 B15R0.70 C=CCCCCCCNCCCCCCC 2230a_100000229938_100011215473 [1,0,0,0,0,0|2,0,0]=3 1141 B15R0.70 C=CCCCCCCNCCCCCCO 2230a_100000686447_100011215473 [1,0,0,0,0,0|3,0,0]=4 1142 B15R0.70 C=CCCCCCCNCCCCCCO 34a_100000686447_100011215473 [1,0,0,0,0,0|3,0,0]=4 1143 B15R0.70 C=CCCCCCCNCCCCCOC 2230a_100000747528_100011215473 [1,0,0,0,0,0|3,0,0]=4 1144 B15R0.70 C=CCCCCCCNCCCCCOC 34a_100000747528_100011215473 [1,0,0,0,0,0|3,0,0]=4 1145 B15R0.70 C=CCCCCCCNCCCOCCC 2230a_100011217757_100011215473 [1,0,0,0,0,0|3,0,0]=4 1146 B15R0.70 C=CCCCCCCNCCCOCCC 34a_100011217757_100011215473 [1,0,0,0,0,0|3,0,0]=4 1147 B15R0.70 C=CCCCCCCNCCSCCCC 2230a_100025743550_100011215473 [1,0,0,0,0,0|3,0,0]=4 1148 B15R0.70 C=CCCCCCCOCCCCCC=O 7a_200011216477_100000139337 [1,0,0,0,0,0|1,0,2]=4 1149 B15R0.70 C=CCCCCCCOCCCCCCBr 34a_100011215345_100011215473 [1,0,0,0,0,0|3,0,0]=4 1150 B15R0.70 C=CCCCCCCOCCCCCCBr 7a_100011215345_100011215473 [1,0,0,0,0,0|3,0,0]=4 1151 B15R0.70 C=CCCCCCCOCCCCCCC 34a_100000210272_100011215473 [1,0,0,0,0,0|2,0,0]=3 1152 B15R0.70 C=CCCCCCCOCCCCCCC 34a_200011216477_100000210614 [1,0,0,0,0,0|2,0,0]=3 1153 B15R0.70 C=CCCCCCCOCCCCCCC 7a_100000210272_100011215473 [1,0,0,0,0,0|2,0,0]=3 1154 B15R0.70 C=CCCCCCCOCCCCCCC 7a_200011216477_100000210614 [1,0,0,0,0,0|2,0,0]=3 1155 B15R0.70 C=CCCCCCCOCCCCCCCl 34a_100000766143_100011215473 [1,0,0,0,0,0|3,0,0]=4 1156 B15R0.70 C=CCCCCCCOCCCCCCCl 7a_100000766143_100011215473 [1,0,0,0,0,0|3,0,0]=4 1157 B15R0.70 C=CCCCCCCOCCCCCCF 34a_100000732779_100011215473 [1,0,0,0,0,0|3,0,0]=4 1158 B15R0.70 C=CCCCCCCOCCCCCCF 34a_200011216477_100015922095 [1,0,0,0,0,0|3,0,0]=4 1159 B15R0.70 C=CCCCCCCOCCCCCCF 7a_100000732779_100011215473 [1,0,0,0,0,0|3,0,0]=4 1160 B15R0.70 C=CCCCCCCOCCCCCCF 7a_200011216477_100015922095 [1,0,0,0,0,0|3,0,0]=4 1161 B15R0.70 C=CCCCCCCOCCCCCCN 34a_100000686447_100011215473 [1,0,0,0,0,0|3,0,0]=4 1162 B15R0.70 C=CCCCCCCOCCCCCCO 34a_200011216477_100000766143 [1,0,0,0,0,0|3,0,0]=4 1163 B15R0.70 C=CCCCCCCOCCCCCCO 7a_200011216477_100000766143 [1,0,0,0,0,0|3,0,0]=4 1164 B15R0.70 C=CCCCCCCOCCCCCNC 34a_100000722520_100011215473 [1,0,0,0,0,0|3,0,0]=4 1165 B15R0.70 C=CCCCCCCOCCOCCCC 34a_100000210238_100011215473 [1,0,0,0,0,0|3,0,0]=4 1166 B15R0.70 C=CCCCCCCOCCOCCCC 34a_200011216477_100000743108 [1,0,0,0,0,0|3,0,0]=4 1167 B15R0.70 C=CCCCCCCOCCOCCCC 7a_100000210238_100011215473 [1,0,0,0,0,0|3,0,0]=4 1168 B15R0.70 C=CCCCCCCOCCOCCCC 7a_200011216477_100000743108 [1,0,0,0,0,0|3,0,0]=4 1169 B15R0.70 C=CCCCCCCOCCSCCCC 34a_200000230436_100011215473 [1,0,0,0,0,0|3,0,0]=4 1170 B15R0.70 C=CCCCCCCOCCSCCCC 7a_200000230436_100011215473 [1,0,0,0,0,0|3,0,0]=4 1171 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100000139337_100011215473 [1,0,0,0,0,0|1,0,2]=4 1172 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100011215473_100000139337 [1,0,0,0,0,0|1,0,2]=4 1173 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100000210614_100011215473 [1,0,0,0,0,0|2,0,0]=3 1174 B15R0.70 C=CCCCCCCSCCCCCCC 62a_100011215473_100000210316 [1,0,0,0,0,0|2,0,0]=3 1175 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100011215473_100015922095 [1,0,0,0,0,0|3,0,0]=4 1176 B15R0.70 C=CCCCCCCSCCCCCCF 62a_100015922095_100011215473 [1,0,0,0,0,0|3,0,0]=4 1177 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100000766143_100011215473 [1,0,0,0,0,0|3,0,0]=4 1178 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100011215473_100000766143 [1,0,0,0,0,0|3,0,0]=4 1179 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100000743108_100011215473 [1,0,0,0,0,0|3,0,0]=4 1180 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100011215473_100000743108 [1,0,0,0,0,0|3,0,0]=4 1181 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [1,0,0,0,0,0|2,0,0]=3 1182 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [1,0,0,0,0,0|2,0,0]=3 1183 B15R0.70 C=CCCCCCNCCCCCCCO 2230a_100011996573_100000700193 [1,0,0,0,0,0|3,0,0]=4 1184 B15R0.70 C=CCCCCCNCCCCCCCO 34a_100011996573_100000700193 [1,0,0,0,0,0|3,0,0]=4 1185 B15R0.70 C=CCCCCCNCCCOCCCC 2230a_200000211371_100000700193 [1,0,0,0,0,0|3,0,0]=4 1186 B15R0.70 C=CCCCCCNCCCOCCCC 34a_200000211371_100000700193 [1,0,0,0,0,0|3,0,0]=4 1187 B15R0.70 C=CCCCCCOCCCCCCCBr 34a_100000760002_100000700193 [1,0,0,0,0,0|3,0,0]=4 1188 B15R0.70 C=CCCCCCOCCCCCCCBr 7a_100000760002_100000700193 [1,0,0,0,0,0|3,0,0]=4 1189 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100000210232_100000700193 [1,0,0,0,0,0|2,0,0]=3 1190 B15R0.70 C=CCCCCCOCCCCCCCC 34a_100011216702_100000210759 [1,0,0,0,0,0|2,0,0]=3 1191 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100000210232_100000700193 [1,0,0,0,0,0|2,0,0]=3 1192 B15R0.70 C=CCCCCCOCCCCCCCC 7a_100011216702_100000210759 [1,0,0,0,0,0|2,0,0]=3 1193 B15R0.70 C=CCCCCCOCCCCCCCN 34a_100011996573_100000700193 [1,0,0,0,0,0|3,0,0]=4 1194 B15R0.70 C=CCCCCCOCCCCCCCO 34a_100011216702_100000760002 [1,0,0,0,0,0|3,0,0]=4 1195 B15R0.70 C=CCCCCCOCCCCCCCO 7a_100011216702_100000760002 [1,0,0,0,0,0|3,0,0]=4 1196 B15R0.70 C=CCCCCCOCCCCCCOC 34a_100011216702_100011998445 [1,0,0,0,0,0|3,0,0]=4 1197 B15R0.70 C=CCCCCCOCCCCCCOC 34a_200012092642_100000700193 [1,0,0,0,0,0|3,0,0]=4 1198 B15R0.70 C=CCCCCCOCCCCCCOC 7a_100011216702_100011998445 [1,0,0,0,0,0|3,0,0]=4 1199 B15R0.70 C=CCCCCCOCCCCCCOC 7a_200012092642_100000700193 [1,0,0,0,0,0|3,0,0]=4 1200 B15R0.70 C=CCCCCCOCCCOCCCC 34a_200011215613_100000700193 [1,0,0,0,0,0|3,0,0]=4 1201 B15R0.70 C=CCCCCCOCCCOCCCC 7a_200011215613_100000700193 [1,0,0,0,0,0|3,0,0]=4 1202 B15R0.70 C=CCCCCCOCCNCCCCC 34a_100000224656_100000700193 [1,0,0,0,0,0|3,0,0]=4 1203 B15R0.70 C=CCCCCCOCCOCCCCC 34a_100011215259_100000700193 [1,0,0,0,0,0|3,0,0]=4 1204 B15R0.70 C=CCCCCCOCCOCCCCC 7a_100011215259_100000700193 [1,0,0,0,0,0|3,0,0]=4 1205 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000210759_100000700193 [1,0,0,0,0,0|2,0,0]=3 1206 B15R0.70 C=CCCCCCSCCCCCCCC 62a_100000700193_100000210317 [1,0,0,0,0,0|2,0,0]=3 1207 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000700193_100000760002 [1,0,0,0,0,0|3,0,0]=4 1208 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000760002_100000700193 [1,0,0,0,0,0|3,0,0]=4 1209 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100000700193_100011998445 [1,0,0,0,0,0|3,0,0]=4 1210 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100011998445_100000700193 [1,0,0,0,0,0|3,0,0]=4 1211 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000212291_100011215482 [1,0,0,0,0,0|2,0,0]=3 1212 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000703577_100011214924 [1,0,0,0,0,0|2,0,0]=3 1213 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000212291_100011215482 [1,0,0,0,0,0|2,0,0]=3 1214 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000703577_100011214924 [1,0,0,0,0,0|2,0,0]=3 1215 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_100000703577_100000033203 [1,0,0,0,0,0|3,0,0]=4 1216 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_102515433106_100011215482 [1,0,0,0,0,0|3,0,0]=4 1217 B15R0.70 C=CCCCCNCCCCCCCCO 34a_100000703577_100000033203 [1,0,0,0,0,0|3,0,0]=4 1218 B15R0.70 C=CCCCCNCCCCCCCCO 34a_102515433106_100011215482 [1,0,0,0,0,0|3,0,0]=4 1219 B15R0.70 C=CCCCCOCCCCCCCCBr 34a_100009813846_100011215482 [1,0,0,0,0,0|3,0,0]=4 1220 B15R0.70 C=CCCCCOCCCCCCCCBr 7a_100009813846_100011215482 [1,0,0,0,0,0|3,0,0]=4 1221 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000210712_100011215482 [1,0,0,0,0,0|2,0,0]=3 1222 B15R0.70 C=CCCCCOCCCCCCCCC 34a_100000766645_100011214924 [1,0,0,0,0,0|2,0,0]=3 1223 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000210712_100011215482 [1,0,0,0,0,0|2,0,0]=3 1224 B15R0.70 C=CCCCCOCCCCCCCCC 7a_100000766645_100000210328 [1,0,0,0,0,0|2,0,0]=3 1225 B15R0.70 C=CCCCCOCCCCCCCCCl 34a_100000033203_100011215482 [1,0,0,0,0,0|3,0,0]=4 1226 B15R0.70 C=CCCCCOCCCCCCCCCl 7a_100000033203_100011215482 [1,0,0,0,0,0|3,0,0]=4 1227 B15R0.70 C=CCCCCOCCCCCCCCN 34a_102515433106_100011215482 [1,0,0,0,0,0|3,0,0]=4 1228 B15R0.70 C=CCCCCOCCCCCCCCO 34a_100000766645_100000033203 [1,0,0,0,0,0|3,0,0]=4 1229 B15R0.70 C=CCCCCOCCCCCCCCO 7a_100000766645_100000033203 [1,0,0,0,0,0|3,0,0]=4 1230 B15R0.70 C=CCCCCOCCCCNCCCC 34a_200011216965_100011215482 [1,0,0,0,0,0|3,0,0]=4 1231 B15R0.70 C=CCCCCOCCCCOCCCC 34a_200000760531_100011215482 [1,0,0,0,0,0|3,0,0]=4 1232 B15R0.70 C=CCCCCOCCCCOCCCC 7a_200000760531_100011215482 [1,0,0,0,0,0|3,0,0]=4 1233 B15R0.70 C=CCCCCOCCOCCCCCC 34a_100000691444_100011215482 [1,0,0,0,0,0|3,0,0]=4 1234 B15R0.70 C=CCCCCOCCOCCCCCC 7a_100000691444_100011215482 [1,0,0,0,0,0|3,0,0]=4 1235 B15R0.70 C=CCCCCSCCCCCCCCC 62a_100011215482_100000210670 [1,0,0,0,0,0|2,0,0]=3 1236 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100000033203_100011215482 [1,0,0,0,0,0|3,0,0]=4 1237 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100011215482_100000033203 [1,0,0,0,0,0|3,0,0]=4 1238 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000684558_100011713584 [1,0,0,0,0,0|2,0,0]=3 1239 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000700776_100000210320 [1,0,0,0,0,0|2,0,0]=3 1240 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000684558_100000757094 [1,0,0,0,0,0|2,0,0]=3 1241 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000700776_100000210320 [1,0,0,0,0,0|2,0,0]=3 1242 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000078944_100011713584 [1,0,0,0,0,0|3,0,0]=4 1243 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000700776_100009813782 [1,0,0,0,0,0|3,0,0]=4 1244 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000078944_100000757094 [1,0,0,0,0,0|3,0,0]=4 1245 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000700776_100009813782 [1,0,0,0,0,0|3,0,0]=4 1246 B15R0.70 C=CCCCOCCCCCCCCCBr 34a_100009813782_100000757094 [1,0,0,0,0,0|3,0,0]=4 1247 B15R0.70 C=CCCCOCCCCCCCCCBr 7a_100009813782_100000757094 [1,0,0,0,0,0|3,0,0]=4 1248 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000210711_100000757094 [1,0,0,0,0,0|2,0,0]=3 1249 B15R0.70 C=CCCCOCCCCCCCCCC 34a_100000758997_100000210320 [1,0,0,0,0,0|2,0,0]=3 1250 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000210711_100000757094 [1,0,0,0,0,0|2,0,0]=3 1251 B15R0.70 C=CCCCOCCCCCCCCCC 7a_100000758997_100000210320 [1,0,0,0,0,0|2,0,0]=3 1252 B15R0.70 C=CCCCOCCCCCCCCCCl 34a_100009868337_100000757094 [1,0,0,0,0,0|3,0,0]=4 1253 B15R0.70 C=CCCCOCCCCCCCCCCl 7a_100009868337_100000757094 [1,0,0,0,0,0|3,0,0]=4 1254 B15R0.70 C=CCCCOCCCCCCCCCN 34a_100000078944_100000757094 [1,0,0,0,0,0|3,0,0]=4 1255 B15R0.70 C=CCCCOCCCCCCCCCO 34a_100000758997_100009813782 [1,0,0,0,0,0|3,0,0]=4 1256 B15R0.70 C=CCCCOCCCCCCCCCO 7a_100000758997_100009813782 [1,0,0,0,0,0|3,0,0]=4 1257 B15R0.70 C=CCCCSCCCCCCCCCC 62a_100011713584_100000210320 [1,0,0,0,0,0|2,0,0]=3 1258 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100009813782_100000757094 [1,0,0,0,0,0|3,0,0]=4 1259 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100011713584_100009813782 [1,0,0,0,0,0|3,0,0]=4 1260 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_100015191253_100011215454 [1,0,0,0,0,0|2,0,0]=3 1261 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_200011215754_100000754431 [1,0,0,0,0,0|2,0,0]=3 1262 B15R0.70 C=CCCNCCCCCCCCCCC 34a_200011215754_100000754431 [1,0,0,0,0,0|2,0,0]=3 1263 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100000066964_100000754431 [1,0,0,0,0,0|3,0,0]=4 1264 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100015191253_100009813290 [1,0,0,0,0,0|3,0,0]=4 1265 B15R0.70 C=CCCNCCCCCCCCCCO 34a_100000066964_100000754431 [1,0,0,0,0,0|3,0,0]=4 1266 B15R0.70 C=CCCOCCCCCCCCCCBr 34a_100009813290_100000754431 [1,0,0,0,0,0|3,0,0]=4 1267 B15R0.70 C=CCCOCCCCCCCCCCBr 7a_100009813290_100000754431 [1,0,0,0,0,0|3,0,0]=4 1268 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100000210809_100000754431 [1,0,0,0,0,0|2,0,0]=3 1269 B15R0.70 C=CCCOCCCCCCCCCCC 34a_100011205117_100011215454 [1,0,0,0,0,0|2,0,0]=3 1270 B15R0.70 C=CCCOCCCCCCCCCCC 7a_100000210809_100000754431 [1,0,0,0,0,0|2,0,0]=3 1271 B15R0.70 C=CCCOCCCCCCCCCCCl 34a_200000033068_100000754431 [1,0,0,0,0,0|3,0,0]=4 1272 B15R0.70 C=CCCOCCCCCCCCCCCl 7a_200000033068_100000754431 [1,0,0,0,0,0|3,0,0]=4 1273 B15R0.70 C=CCCOCCCCCCCCCCN 34a_100000066964_100000754431 [1,0,0,0,0,0|3,0,0]=4 1274 B15R0.70 C=CCCOCCCCCCCCCCO 34a_100011205117_100009813290 [1,0,0,0,0,0|3,0,0]=4 1275 B15R0.70 C=CCCSCCCCCCCCCCC 62a_100000754431_100011215454 [1,0,0,0,0,0|2,0,0]=3 1276 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100000754431_200000033068 [1,0,0,0,0,0|3,0,0]=4 1277 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100009813290_100000754431 [1,0,0,0,0,0|3,0,0]=4 1278 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [1,0,0,0,0,0|2,0,0]=3 1279 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [1,0,0,0,0,0|2,0,0]=3 1280 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [1,0,0,0,0,0|2,0,0]=3 1281 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [1,0,0,0,0,0|2,0,0]=3 1282 B15R0.70 C=CCNCCCCCCCCCCCO 2230a_100020586998_100009812471 [1,0,0,0,0,0|3,0,0]=4 1283 B15R0.70 C=CCOCCCCCCCCCCCBr 34a_100009812471_100015514636 [1,0,0,0,0,0|3,0,0]=4 1284 B15R0.70 C=CCOCCCCCCCCCCCBr 7a_100009812471_100015514636 [1,0,0,0,0,0|3,0,0]=4 1285 B15R0.70 C=CCOCCCCCCCCCCCC 34a_100000210810_100015514636 [1,0,0,0,0,0|2,0,0]=3 1286 B15R0.70 C=CCOCCCCCCCCCCCC 34a_200000210373_100000759014 [1,0,0,0,0,0|2,0,0]=3 1287 B15R0.70 C=CCOCCCCCCCCCCCC 7a_100000210810_100015514636 [1,0,0,0,0,0|2,0,0]=3 1288 B15R0.70 C=CCOCCCCCCCCCCCO 34a_200000210373_100009812471 [1,0,0,0,0,0|3,0,0]=4 1289 B15R0.70 C=CCOCCCCCCCCCOCC 34a_100009875440_100015514636 [1,0,0,0,0,0|3,0,0]=4 1290 B15R0.70 C=CCOCCCCCCCCCOCC 7a_100009875440_100015514636 [1,0,0,0,0,0|3,0,0]=4 1291 B15R0.70 C=CCOCCOCCCCCCCCC 34a_100000037705_100011214924 [1,0,0,0,0,0|3,0,0]=4 1292 B15R0.70 C=CCOCCOCCCCCCCCC 7a_100000037705_100000210328 [1,0,0,0,0,0|3,0,0]=4 1293 B15R0.70 C=CCSCCCCCCCCCCCC 62a_100000210623_100000759014 [1,0,0,0,0,0|2,0,0]=3 1294 B15R0.70 C=CCSCCCCCCCCCCCO 62a_100009812471_100000210623 [1,0,0,0,0,0|3,0,0]=4 1295 B15R0.70 C=COCCCCOCCCCCCCC 34a_100000031558_100000210759 [1,0,0,0,0,0|3,0,0]=4 1296 B15R0.70 C=COCCCCOCCCCCCCC 7a_100000031558_100000210759 [1,0,0,0,0,0|3,0,0]=4 1297 B15R0.70 C=COCCCNCCCCCCCCC 2230a_100000210767_100011214924 [1,0,0,0,0,0|3,0,0]=4 1298 B15R0.70 C=COCCCNCCCCCCCCC 34a_100000210767_100011214924 [1,0,0,0,0,0|3,0,0]=4 1299 B15R0.70 C=COCCNCCCCCCCCCC 2230a_100000684558_100000039644 [1,0,0,0,0,0|3,0,0]=4 1300 B15R0.70 C=COCCNCCCCCCCCCC 34a_100000684558_100000039644 [1,0,0,0,0,0|3,0,0]=4 1301 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000033082_100000210320 [1,0,0,0,0,0|3,0,0]=4 1302 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000210711_100000039644 [1,0,0,0,0,0|3,0,0]=4 1303 B15R0.70 C=COCCOCCCCCCCCCC 7a_100000210711_100000039644 [1,0,0,0,0,0|3,0,0]=4 1304 B15R0.70 C=COCCSCCCCCCCCCC 62a_100000039644_100000210320 [1,0,0,0,0,0|3,0,0]=4 1305 B15R0.70 CC/C=C\CCCCCOCCCCC=O 7a_100016268722_100000139335 [1,0,0,0,0,0|1,0,2]=4 1306 B15R0.70 CC/C=C\CCCCOCCCCCC=O 7a_100016287862_100000139337 [1,0,0,0,0,0|1,0,2]=4 1307 B15R0.70 CC=CCCCOCCCCCCCCC 34a_100020645299_100011214924 [1,0,0,0,0,0|2,0,1]=4 1308 B15R0.70 CC=CCNCCCCCCCCCCC 2230a_200011215754_100000070051 [1,0,0,0,0,0|2,0,1]=4 1309 B15R0.70 CC=CCNCCCCCCCCCCC 34a_200011215754_100000070051 [1,0,0,0,0,0|2,0,1]=4 1310 B15R0.70 CC=CCOCCCCCCCCCCC 34a_100000210809_100000070051 [1,0,0,0,0,0|2,0,1]=4 1311 B15R0.70 CC=CCOCCCCCCCCCCC 7a_100000210809_100000070051 [1,0,0,0,0,0|2,0,1]=4 1312 B15R0.70 CC=CCSCCCCCCCCCCC 62a_100000070051_100011215454 [1,0,0,0,0,0|2,0,1]=4 1313 B15R0.70 CCC#CCCCCCCCCOCC=O 34a_200000031908_200009817547 [1,0,0,0,0,0|1,0,2]=4 1314 B15R0.70 CCC#CCCCCCCCCOCC=O 7a_200000031908_200015260668 [1,0,0,0,0,0|1,0,2]=4 1315 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200000036426_200011292268 [1,0,0,0,0,0|1,0,2]=4 1316 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200011292268_200000036426 [1,0,0,0,0,0|1,0,2]=4 1317 B15R0.70 CCCC/C=C/CCCCOCCCC=O 7a_200020645093_200011292268 [1,0,0,0,0,0|1,0,2]=4 1318 B15R0.70 CCCC/C=C\CCOCCCCCC=O 7a_200016286491_100000139337 [1,0,0,0,0,0|1,0,2]=4 1319 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200000043322_200015260668 [1,0,0,0,0,0|1,0,2]=4 1320 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200015260668_200000043322 [1,0,0,0,0,0|1,0,2]=4 1321 B15R0.70 CCCCC#CCCCCOCCCC=O 7a_200000066234_200011292268 [1,0,0,0,0,0|1,0,2]=4 1322 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_100000139335_200000047210 [1,0,0,0,0,0|1,0,2]=4 1323 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_200000047210_100000139335 [1,0,0,0,0,0|1,0,2]=4 1324 B15R0.70 CCCCC#CCCOCCCCCC=O 7a_100000037610_100000139337 [1,0,0,0,0,0|1,0,2]=4 1325 B15R0.70 CCCCC/C=C/COCCCCCC=O 7a_100016258190_100000139337 [1,0,0,0,0,0|1,0,2]=4 1326 B15R0.70 CCCCC/C=C\CCCOCCCC=O 7a_100020655193_200011292268 [1,0,0,0,0,0|1,0,2]=4 1327 B15R0.70 CCCCC/C=C\CCOCCCCC=O 7a_100016277358_100000139335 [1,0,0,0,0,0|1,0,2]=4 1328 B15R0.70 CCCCCC#CCCOCCCCC=O 7a_200000042877_100000139335 [1,0,0,0,0,0|1,0,2]=4 1329 B15R0.70 CCCCCC#CCOCCCCCC=O 7a_200000033628_100000139337 [1,0,0,0,0,0|1,0,2]=4 1330 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100000139337_100009816472 [1,0,0,0,0,0|1,0,2]=4 1331 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100009816472_100000139337 [1,0,0,0,0,0|1,0,2]=4 1332 B15R0.70 CCCCCC/C=C/COCCCCC=O 7a_200016276170_100000139335 [1,0,0,0,0,0|1,0,2]=4 1333 B15R0.70 CCCCCCC#CCCOCCCC=O 7a_200000033163_200011292268 [1,0,0,0,0,0|1,0,2]=4 1334 B15R0.70 CCCCCCC#CCOCCCCC=O 7a_200000037284_100000139335 [1,0,0,0,0,0|1,0,2]=4 1335 B15R0.70 CCCCCCCC#CCOCCCC=O 7a_200000061759_200011292268 [1,0,0,0,0,0|1,0,2]=4 1336 B15R0.70 CCCCCCCCC/C=C/COCC=O 34a_100015232335_200009817547 [1,0,0,0,0,0|1,0,2]=4 1337 B15R0.70 CCCCCCCCC/C=C/COCC=O 7a_100015232335_200015260668 [1,0,0,0,0,0|1,0,2]=4 1338 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [1,0,0,0,0,0|2,0,0]=3 1339 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [1,0,0,0,0,0|2,0,0]=3 1340 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [1,0,0,0,0,0|2,0,0]=3 1341 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [1,0,0,0,0,0|2,0,0]=3 1342 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [1,0,0,0,0,0|2,0,0]=3 1343 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [1,0,0,0,0,0|2,0,0]=3 1344 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [1,0,0,0,0,0|2,0,0]=3 1345 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [1,0,0,0,0,0|2,0,0]=3 1346 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [1,0,0,0,0,0|2,0,0]=3 1347 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [1,0,0,0,0,0|2,0,0]=3 1348 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [1,0,0,0,0,0|2,0,0]=3 1349 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [1,0,0,0,0,0|2,0,0]=3 1350 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [1,0,0,0,0,0|2,0,0]=3 1351 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [1,0,0,0,0,0|2,0,1]=4 1352 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [1,0,0,0,0,0|2,0,1]=4 1353 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [1,0,0,0,0,0|2,0,1]=4 1354 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [1,0,0,0,0,0|2,0,1]=4 1355 B15R0.70 CCCCCCCCCCCCCNCF 34a_100011215765_100015361967 [1,0,0,0,0,0|2,0,1]=4 1356 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [1,0,0,0,0,0|2,0,1]=4 1357 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [1,0,0,0,0,0|2,0,1]=4 1358 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [1,0,0,0,0,0|2,0,1]=4 1359 B15R0.70 CCCCCCCCCCCCCOCF 34a_100000185773_100015361967 [1,0,0,0,0,0|2,0,1]=4 1360 B15R0.70 CCCCCCCCCCCCCOCF 7a_100000185773_100015361967 [1,0,0,0,0,0|2,0,1]=4 1361 B15R0.70 CCCCCCCCCCCCCSCF 62a_100015361967_100011934334 [1,0,0,0,0,0|2,0,1]=4 1362 B15R0.70 CCCCCCCCCCCCNCC#N 2230a_100000210451_100011215382 [1,0,0,0,0,0|2,0,1]=4 1363 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,0,0,0,0,0|1,0,0]=2 1364 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,0,0,0,0,0|1,0,0]=2 1365 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [1,0,0,0,0,0|2,0,1]=4 1366 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [1,0,0,0,0,0|2,0,1]=4 1367 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [1,0,0,0,0,0|2,0,1]=4 1368 B15R0.70 CCCCCCCCCCCCNCCF 2230a_100000210451_100011217306 [1,0,0,0,0,0|2,0,1]=4 1369 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000210451_100011217306 [1,0,0,0,0,0|2,0,1]=4 1370 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000724931_100000759014 [1,0,0,0,0,0|2,0,1]=4 1371 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [1,0,0,0,0,0|1,0,1]=3 1372 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [1,0,0,0,0,0|1,0,1]=3 1373 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [1,0,0,0,0,0|1,0,1]=3 1374 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [1,0,0,0,0,0|1,0,1]=3 1375 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [1,0,0,0,0,0|1,0,1]=3 1376 B15R0.70 CCCCCCCCCCCCNCOC 2230a_100000210451_100000766300 [1,0,0,0,0,0|3,0,0]=4 1377 B15R0.70 CCCCCCCCCCCCNCSC 2230a_100000210451_100011218213 [1,0,0,0,0,0|3,0,0]=4 1378 B15R0.70 CCCCCCCCCCCCNCSC 34a_100000210451_100011218213 [1,0,0,0,0,0|3,0,0]=4 1379 B15R0.70 CCCCCCCCCCCCOCC#N 7a_100000210810_100011215382 [1,0,0,0,0,0|2,0,1]=4 1380 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [1,0,0,0,0,0|1,0,0]=2 1381 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [1,0,0,0,0,0|1,0,0]=2 1382 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [1,0,0,0,0,0|2,0,1]=4 1383 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [1,0,0,0,0,0|2,0,1]=4 1384 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [1,0,0,0,0,0|2,0,1]=4 1385 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [1,0,0,0,0,0|2,0,1]=4 1386 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [1,0,0,0,0,0|2,0,1]=4 1387 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [1,0,0,0,0,0|2,0,1]=4 1388 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [1,0,0,0,0,0|2,0,1]=4 1389 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [1,0,0,0,0,0|1,0,1]=3 1390 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [1,0,0,0,0,0|1,0,1]=3 1391 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [1,0,0,0,0,0|3,0,0]=4 1392 B15R0.70 CCCCCCCCCCCCSCC#N 62a_100011215382_100000759014 [1,0,0,0,0,0|2,0,1]=4 1393 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [1,0,0,0,0,0|1,0,0]=2 1394 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [1,0,0,0,0,0|2,0,1]=4 1395 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [1,0,0,0,0,0|1,0,1]=3 1396 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [1,0,0,0,0,0|3,0,0]=4 1397 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [1,0,0,0,0,0|3,0,0]=4 1398 B15R0.70 CCCCCCCCCCCNCCC#N 2230a_200011215754_100011215226 [1,0,0,0,0,0|2,0,1]=4 1399 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [1,0,0,0,0,0|2,0,1]=4 1400 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [1,0,0,0,0,0|2,0,1]=4 1401 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [1,0,0,0,0,0|2,0,1]=4 1402 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [1,0,0,0,0,0|2,0,1]=4 1403 B15R0.70 CCCCCCCCCCCNCCCF 2230a_100015189416_100011215454 [1,0,0,0,0,0|2,0,1]=4 1404 B15R0.70 CCCCCCCCCCCNCCCF 2230a_200011215754_100011934791 [1,0,0,0,0,0|2,0,1]=4 1405 B15R0.70 CCCCCCCCCCCNCCCF 34a_100015189416_100011215454 [1,0,0,0,0,0|2,0,1]=4 1406 B15R0.70 CCCCCCCCCCCNCCCF 34a_200011215754_100011934791 [1,0,0,0,0,0|2,0,1]=4 1407 B15R0.70 CCCCCCCCCCCNCCCO 2230a_200011215754_100000230001 [1,0,0,0,0,0|1,0,1]=3 1408 B15R0.70 CCCCCCCCCCCNCCCO 34a_200011215754_100000230001 [1,0,0,0,0,0|1,0,1]=3 1409 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [1,0,0,0,0,0|3,0,0]=4 1410 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [1,0,0,0,0,0|3,0,0]=4 1411 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [1,0,0,0,0,0|3,0,0]=4 1412 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [1,0,0,0,0,0|3,0,0]=4 1413 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [1,0,0,0,0,0|3,0,0]=4 1414 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [1,0,0,0,0,0|3,0,0]=4 1415 B15R0.70 CCCCCCCCCCCOCCC#N 7a_100000210809_100000184422 [1,0,0,0,0,0|2,0,1]=4 1416 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [1,0,0,0,0,0|2,0,1]=4 1417 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [1,0,0,0,0,0|2,0,1]=4 1418 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [1,0,0,0,0,0|2,0,1]=4 1419 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [1,0,0,0,0,0|2,0,1]=4 1420 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [1,0,0,0,0,0|2,0,1]=4 1421 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [1,0,0,0,0,0|2,0,1]=4 1422 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000210809_100011934791 [1,0,0,0,0,0|2,0,1]=4 1423 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000759539_100011215454 [1,0,0,0,0,0|2,0,1]=4 1424 B15R0.70 CCCCCCCCCCCOCCCF 7a_100000210809_100011934791 [1,0,0,0,0,0|2,0,1]=4 1425 B15R0.70 CCCCCCCCCCCOCCCN 34a_100000182051_100011215454 [1,0,0,0,0,0|2,0,1]=4 1426 B15R0.70 CCCCCCCCCCCOCCCO 34a_100000210809_100000230001 [1,0,0,0,0,0|1,0,1]=3 1427 B15R0.70 CCCCCCCCCCCOCCCO 7a_100000210809_100011215043 [1,0,0,0,0,0|1,0,1]=3 1428 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [1,0,0,0,0,0|3,0,0]=4 1429 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [1,0,0,0,0,0|3,0,0]=4 1430 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [1,0,0,0,0,0|3,0,0]=4 1431 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [1,0,0,0,0,0|3,0,0]=4 1432 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [1,0,0,0,0,0|3,0,0]=4 1433 B15R0.70 CCCCCCCCCCCOCCON 34a_100000700252_100011215454 [1,0,0,0,0,0|3,0,0]=4 1434 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [1,0,0,0,0,0|3,0,0]=4 1435 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [1,0,0,0,0,0|3,0,0]=4 1436 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [1,0,0,0,0,0|3,0,0]=4 1437 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [1,0,0,0,0,0|3,0,0]=4 1438 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [1,0,0,0,0,0|3,0,0]=4 1439 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [1,0,0,0,0,0|3,0,0]=4 1440 B15R0.70 CCCCCCCCCCCSCCC#N 62a_100011215226_100011215454 [1,0,0,0,0,0|2,0,1]=4 1441 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [1,0,0,0,0,0|2,0,1]=4 1442 B15R0.70 CCCCCCCCCCCSCCCO 62a_100011215043_100011215454 [1,0,0,0,0,0|1,0,1]=3 1443 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [1,0,0,0,0,0|3,0,0]=4 1444 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [1,0,0,0,0,0|3,0,0]=4 1445 B15R0.70 CCCCCCCCCCNCCCC#N 2230a_100000684558_100000687738 [1,0,0,0,0,0|2,0,1]=4 1446 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [1,0,0,0,0,0|1,0,0]=2 1447 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [1,0,0,0,0,0|2,0,1]=4 1448 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [1,0,0,0,0,0|2,0,1]=4 1449 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [1,0,0,0,0,0|2,0,1]=4 1450 B15R0.70 CCCCCCCCCCNCCCCF 2230a_100000684558_100000729493 [1,0,0,0,0,0|2,0,1]=4 1451 B15R0.70 CCCCCCCCCCNCCCCF 34a_100000684558_100000729493 [1,0,0,0,0,0|2,0,1]=4 1452 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000684558_100000210776 [1,0,0,0,0,0|1,0,1]=3 1453 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000750430_100000210320 [1,0,0,0,0,0|1,0,1]=3 1454 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000684558_100011216708 [1,0,0,0,0,0|1,0,1]=3 1455 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000750430_100000210320 [1,0,0,0,0,0|1,0,1]=3 1456 B15R0.70 CCCCCCCCCCNCCCOC 2230a_100000684558_100000740836 [1,0,0,0,0,0|3,0,0]=4 1457 B15R0.70 CCCCCCCCCCNCCCOC 34a_100000684558_100000740836 [1,0,0,0,0,0|3,0,0]=4 1458 B15R0.70 CCCCCCCCCCNCCCOC 34a_100150723488_100000210320 [1,0,0,0,0,0|3,0,0]=4 1459 B15R0.70 CCCCCCCCCCNCCCSC 2230a_100000749238_100000210320 [1,0,0,0,0,0|3,0,0]=4 1460 B15R0.70 CCCCCCCCCCOCCCC#N 7a_100000210711_100000687738 [1,0,0,0,0,0|2,0,1]=4 1461 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [1,0,0,0,0,0|1,0,0]=2 1462 B15R0.70 CCCCCCCCCCOCCCCBr 34a_100011216708_100000210320 [1,0,0,0,0,0|2,0,1]=4 1463 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [1,0,0,0,0,0|2,0,1]=4 1464 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [1,0,0,0,0,0|2,0,1]=4 1465 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [1,0,0,0,0,0|2,0,1]=4 1466 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [1,0,0,0,0,0|2,0,1]=4 1467 B15R0.70 CCCCCCCCCCOCCCCCl 34a_100000210776_100000210320 [1,0,0,0,0,0|2,0,1]=4 1468 B15R0.70 CCCCCCCCCCOCCCCCl 7a_100000210776_100000210320 [1,0,0,0,0,0|2,0,1]=4 1469 B15R0.70 CCCCCCCCCCOCCCCF 34a_100000210711_100000729493 [1,0,0,0,0,0|2,0,1]=4 1470 B15R0.70 CCCCCCCCCCOCCCCF 34a_100011995726_100000210320 [1,0,0,0,0,0|2,0,1]=4 1471 B15R0.70 CCCCCCCCCCOCCCCF 7a_100000210711_100000729493 [1,0,0,0,0,0|2,0,1]=4 1472 B15R0.70 CCCCCCCCCCOCCCCF 7a_100011995726_100000210320 [1,0,0,0,0,0|2,0,1]=4 1473 B15R0.70 CCCCCCCCCCOCCCCI 34a_200012148704_100000210320 [1,0,0,0,0,0|2,0,1]=4 1474 B15R0.70 CCCCCCCCCCOCCCCN 34a_100000750430_100000210320 [1,0,0,0,0,0|2,0,1]=4 1475 B15R0.70 CCCCCCCCCCOCCCCO 34a_100000210711_100011216708 [1,0,0,0,0,0|1,0,1]=3 1476 B15R0.70 CCCCCCCCCCOCCCCO 7a_100000210711_100000210776 [1,0,0,0,0,0|1,0,1]=3 1477 B15R0.70 CCCCCCCCCCOCCCNC 34a_100000213112_100000210320 [1,0,0,0,0,0|3,0,0]=4 1478 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000210711_100000740836 [1,0,0,0,0,0|3,0,0]=4 1479 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000740835_100000210320 [1,0,0,0,0,0|3,0,0]=4 1480 B15R0.70 CCCCCCCCCCOCCCOC 7a_100000210711_100000740836 [1,0,0,0,0,0|3,0,0]=4 1481 B15R0.70 CCCCCCCCCCOCCCSC 34a_100000690336_100000210320 [1,0,0,0,0,0|3,0,0]=4 1482 B15R0.70 CCCCCCCCCCOCCCSC 7a_100000690336_100000210320 [1,0,0,0,0,0|3,0,0]=4 1483 B15R0.70 CCCCCCCCCCSCCCC#N 62a_100000687738_100000210320 [1,0,0,0,0,0|2,0,1]=4 1484 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [1,0,0,0,0,0|1,0,0]=2 1485 B15R0.70 CCCCCCCCCCSCCCCF 62a_100000729493_100000210320 [1,0,0,0,0,0|2,0,1]=4 1486 B15R0.70 CCCCCCCCCCSCCCCO 62a_100000210776_100000210320 [1,0,0,0,0,0|1,0,1]=3 1487 B15R0.70 CCCCCCCCCCSCCCOC 62a_100000709357_100000210320 [1,0,0,0,0,0|3,0,0]=4 1488 B15R0.70 CCCCCCCCCNCCCCC#N 2230a_100000212291_100000211819 [1,0,0,0,0,0|2,0,1]=4 1489 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [1,0,0,0,0,0|1,0,0]=2 1490 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [1,0,0,0,0,0|2,0,1]=4 1491 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [1,0,0,0,0,0|2,0,1]=4 1492 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [1,0,0,0,0,0|2,0,1]=4 1493 B15R0.70 CCCCCCCCCNCCCCCF 2230a_100000212291_100000729378 [1,0,0,0,0,0|2,0,1]=4 1494 B15R0.70 CCCCCCCCCNCCCCCF 34a_100000212291_100000729378 [1,0,0,0,0,0|2,0,1]=4 1495 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000212291_100000746330 [1,0,0,0,0,0|1,0,1]=3 1496 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000762737_100011214924 [1,0,0,0,0,0|1,0,1]=3 1497 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000212291_100000746330 [1,0,0,0,0,0|1,0,1]=3 1498 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000762737_100011214924 [1,0,0,0,0,0|1,0,1]=3 1499 B15R0.70 CCCCCCCCCNCCCCOC 2230a_100000212291_100000730899 [1,0,0,0,0,0|3,0,0]=4 1500 B15R0.70 CCCCCCCCCNCCCCOC 34a_100000212291_100000755781 [1,0,0,0,0,0|3,0,0]=4 1501 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000211614_100011214924 [1,0,0,0,0,0|2,0,1]=4 1502 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000212291_100011215305 [1,0,0,0,0,0|2,0,1]=4 1503 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000211614_100011214924 [1,0,0,0,0,0|2,0,1]=4 1504 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000212291_100000692535 [1,0,0,0,0,0|2,0,1]=4 1505 B15R0.70 CCCCCCCCCNCCSCCO 2230a_100011219999_100011214924 [1,0,0,0,0,0|2,0,1]=4 1506 B15R0.70 CCCCCCCCCOCCCCC#N 7a_100000210712_100000211819 [1,0,0,0,0,0|2,0,1]=4 1507 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [1,0,0,0,0,0|1,0,0]=2 1508 B15R0.70 CCCCCCCCCOCCCCCBr 34a_100000746331_100011214924 [1,0,0,0,0,0|2,0,1]=4 1509 B15R0.70 CCCCCCCCCOCCCCCBr 7a_100000746331_100000210328 [1,0,0,0,0,0|2,0,1]=4 1510 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [1,0,0,0,0,0|2,0,1]=4 1511 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [1,0,0,0,0,0|2,0,1]=4 1512 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [1,0,0,0,0,0|2,0,1]=4 1513 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [1,0,0,0,0,0|2,0,1]=4 1514 B15R0.70 CCCCCCCCCOCCCCCCl 34a_100000746330_100011214924 [1,0,0,0,0,0|2,0,1]=4 1515 B15R0.70 CCCCCCCCCOCCCCCCl 7a_100000746330_100000210328 [1,0,0,0,0,0|2,0,1]=4 1516 B15R0.70 CCCCCCCCCOCCCCCF 34a_100000210712_100000729378 [1,0,0,0,0,0|2,0,1]=4 1517 B15R0.70 CCCCCCCCCOCCCCCF 7a_100000210712_100000729378 [1,0,0,0,0,0|2,0,1]=4 1518 B15R0.70 CCCCCCCCCOCCCCCI 34a_200012148887_100011214924 [1,0,0,0,0,0|2,0,1]=4 1519 B15R0.70 CCCCCCCCCOCCCCCI 7a_200012148887_100000210328 [1,0,0,0,0,0|2,0,1]=4 1520 B15R0.70 CCCCCCCCCOCCCCCN 34a_100000762737_100011214924 [1,0,0,0,0,0|2,0,1]=4 1521 B15R0.70 CCCCCCCCCOCCCCCO 34a_100000210712_100000746330 [1,0,0,0,0,0|1,0,1]=3 1522 B15R0.70 CCCCCCCCCOCCCCCO 7a_100000210712_100000746330 [1,0,0,0,0,0|1,0,1]=3 1523 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000210712_100000755781 [1,0,0,0,0,0|3,0,0]=4 1524 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000740925_100011214924 [1,0,0,0,0,0|3,0,0]=4 1525 B15R0.70 CCCCCCCCCOCCCCOC 7a_100000210712_100000730899 [1,0,0,0,0,0|3,0,0]=4 1526 B15R0.70 CCCCCCCCCOCCCCSC 34a_100011217163_100011214924 [1,0,0,0,0,0|3,0,0]=4 1527 B15R0.70 CCCCCCCCCOCCCCSC 7a_100011217163_100000210328 [1,0,0,0,0,0|3,0,0]=4 1528 B15R0.70 CCCCCCCCCOCCOCCO 34a_100000210712_100000692535 [1,0,0,0,0,0|2,0,1]=4 1529 B15R0.70 CCCCCCCCCOCCOCCO 7a_100000210712_100011215305 [1,0,0,0,0,0|2,0,1]=4 1530 B15R0.70 CCCCCCCCCSCCCCC#N 62a_100011219923_100000210670 [1,0,0,0,0,0|2,0,1]=4 1531 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [1,0,0,0,0,0|1,0,0]=2 1532 B15R0.70 CCCCCCCCCSCCCCCF 62a_100000729378_100000210670 [1,0,0,0,0,0|2,0,1]=4 1533 B15R0.70 CCCCCCCCCSCCCCCO 62a_100000746330_100000210670 [1,0,0,0,0,0|1,0,1]=3 1534 B15R0.70 CCCCCCCCCSCCCCOC 62a_100000730899_100000210670 [1,0,0,0,0,0|3,0,0]=4 1535 B15R0.70 CCCCCCCCCSCCOCCO 62a_100011215305_100000210670 [1,0,0,0,0,0|2,0,1]=4 1536 B15R0.70 CCCCCCCCNCCCCCC#N 2230a_100000229939_100009813376 [1,0,0,0,0,0|2,0,1]=4 1537 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [1,0,0,0,0,0|1,0,0]=2 1538 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [1,0,0,0,0,0|2,0,1]=4 1539 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [1,0,0,0,0,0|2,0,1]=4 1540 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [1,0,0,0,0,0|2,0,1]=4 1541 B15R0.70 CCCCCCCCNCCCCCCF 2230a_100000229939_100015922095 [1,0,0,0,0,0|2,0,1]=4 1542 B15R0.70 CCCCCCCCNCCCCCCF 34a_100000229939_100015922095 [1,0,0,0,0,0|2,0,1]=4 1543 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000229939_100000766143 [1,0,0,0,0,0|1,0,1]=3 1544 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000686447_100000210759 [1,0,0,0,0,0|1,0,1]=3 1545 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000229939_100000766143 [1,0,0,0,0,0|1,0,1]=3 1546 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000686447_100000210759 [1,0,0,0,0,0|1,0,1]=3 1547 B15R0.70 CCCCCCCCNCCCCCOC 2230a_100000747528_100000210759 [1,0,0,0,0,0|3,0,0]=4 1548 B15R0.70 CCCCCCCCNCCCCCOC 34a_100000747528_100000210759 [1,0,0,0,0,0|3,0,0]=4 1549 B15R0.70 CCCCCCCCOCCCCCC#N 7a_100000210232_100009813376 [1,0,0,0,0,0|2,0,1]=4 1550 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [1,0,0,0,0,0|1,0,0]=2 1551 B15R0.70 CCCCCCCCOCCCCCCBr 34a_100011215345_100000210759 [1,0,0,0,0,0|2,0,1]=4 1552 B15R0.70 CCCCCCCCOCCCCCCBr 7a_100011215345_100000210759 [1,0,0,0,0,0|2,0,1]=4 1553 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [1,0,0,0,0,0|2,0,1]=4 1554 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [1,0,0,0,0,0|2,0,1]=4 1555 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [1,0,0,0,0,0|2,0,1]=4 1556 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [1,0,0,0,0,0|2,0,1]=4 1557 B15R0.70 CCCCCCCCOCCCCCCCl 34a_100000766143_100000210759 [1,0,0,0,0,0|2,0,1]=4 1558 B15R0.70 CCCCCCCCOCCCCCCCl 7a_100000766143_100000210759 [1,0,0,0,0,0|2,0,1]=4 1559 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000210232_100015922095 [1,0,0,0,0,0|2,0,1]=4 1560 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000732779_100000210759 [1,0,0,0,0,0|2,0,1]=4 1561 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000210232_100015922095 [1,0,0,0,0,0|2,0,1]=4 1562 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000732779_100000210759 [1,0,0,0,0,0|2,0,1]=4 1563 B15R0.70 CCCCCCCCOCCCCCCN 34a_100000686447_100000210759 [1,0,0,0,0,0|2,0,1]=4 1564 B15R0.70 CCCCCCCCOCCCCCCO 34a_100000210232_100000766143 [1,0,0,0,0,0|1,0,1]=3 1565 B15R0.70 CCCCCCCCOCCCCCCO 7a_100000210232_100000766143 [1,0,0,0,0,0|1,0,1]=3 1566 B15R0.70 CCCCCCCCOCCCCCNC 34a_100000722520_100000210759 [1,0,0,0,0,0|3,0,0]=4 1567 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100000210759_100009813376 [1,0,0,0,0,0|2,0,1]=4 1568 B15R0.70 CCCCCCCCSCCCCCC#N 62a_100009813376_100000210317 [1,0,0,0,0,0|2,0,1]=4 1569 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [1,0,0,0,0,0|1,0,0]=2 1570 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [1,0,0,0,0,0|1,0,0]=2 1571 B15R0.70 CCCCCCCCSCCCCCCF 62a_100000210759_100015922095 [1,0,0,0,0,0|2,0,1]=4 1572 B15R0.70 CCCCCCCCSCCCCCCF 62a_100015922095_100000210317 [1,0,0,0,0,0|2,0,1]=4 1573 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000210759_100000766143 [1,0,0,0,0,0|1,0,1]=3 1574 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000766143_100000210317 [1,0,0,0,0,0|1,0,1]=3 1575 B15R0.70 CCCCCCCNCCCCCCC#N 2230a_100000229938_100009813337 [1,0,0,0,0,0|2,0,1]=4 1576 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100000229938_100000760002 [1,0,0,0,0,0|1,0,1]=3 1577 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100011996573_100000210681 [1,0,0,0,0,0|1,0,1]=3 1578 B15R0.70 CCCCCCCNCCCCCCCO 34a_100011996573_100000210614 [1,0,0,0,0,0|1,0,1]=3 1579 B15R0.70 CCCCCCCNCCCCCCOC 2230a_100000229938_100011998445 [1,0,0,0,0,0|3,0,0]=4 1580 B15R0.70 CCCCCCCNCCCOCCCO 2230a_100011310245_100000210681 [1,0,0,0,0,0|2,0,1]=4 1581 B15R0.70 CCCCCCCNCCCOCCCO 34a_100011310245_100000210614 [1,0,0,0,0,0|2,0,1]=4 1582 B15R0.70 CCCCCCCOCCCCCCC#N 7a_100000210272_100009813337 [1,0,0,0,0,0|2,0,1]=4 1583 B15R0.70 CCCCCCCOCCCCCCCBr 34a_100000760002_100000210614 [1,0,0,0,0,0|2,0,1]=4 1584 B15R0.70 CCCCCCCOCCCCCCCBr 7a_100000760002_100000210614 [1,0,0,0,0,0|2,0,1]=4 1585 B15R0.70 CCCCCCCOCCCCCCCN 34a_100011996573_100000210614 [1,0,0,0,0,0|2,0,1]=4 1586 B15R0.70 CCCCCCCOCCCCCCCO 34a_100000210272_100000760002 [1,0,0,0,0,0|1,0,1]=3 1587 B15R0.70 CCCCCCCOCCCCCCCO 7a_100000210272_100000760002 [1,0,0,0,0,0|1,0,1]=3 1588 B15R0.70 CCCCCCCOCCCCCCOC 34a_100000210272_100011998445 [1,0,0,0,0,0|3,0,0]=4 1589 B15R0.70 CCCCCCCOCCCCCCOC 34a_200012092642_100000210614 [1,0,0,0,0,0|3,0,0]=4 1590 B15R0.70 CCCCCCCOCCCCCCOC 7a_100000210272_100011998445 [1,0,0,0,0,0|3,0,0]=4 1591 B15R0.70 CCCCCCCOCCCCCCOC 7a_200012092642_100000210614 [1,0,0,0,0,0|3,0,0]=4 1592 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100000210614_100009813337 [1,0,0,0,0,0|2,0,1]=4 1593 B15R0.70 CCCCCCCSCCCCCCC#N 62a_100009813337_100000210316 [1,0,0,0,0,0|2,0,1]=4 1594 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000210614_100000760002 [1,0,0,0,0,0|1,0,1]=3 1595 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000760002_100000210316 [1,0,0,0,0,0|1,0,1]=3 1596 B15R0.70 CCCCCCCSCCCCCCOC 62a_100000210614_100011998445 [1,0,0,0,0,0|3,0,0]=4 1597 B15R0.70 CCCCCCCSCCCCCCOC 62a_100011998445_100000210316 [1,0,0,0,0,0|3,0,0]=4 1598 B15R0.70 CCCCCCNCCCCCCCCO 2230a_100000210581_100000033203 [1,0,0,0,0,0|1,0,1]=3 1599 B15R0.70 CCCCCCNCCCCCCCCO 2230a_102515433106_100000210314 [1,0,0,0,0,0|1,0,1]=3 1600 B15R0.70 CCCCCCNCCCCCCCCO 34a_102515433106_100000210314 [1,0,0,0,0,0|1,0,1]=3 1601 B15R0.70 CCCCCCOCCCCCCCCBr 34a_100009813846_100000210314 [1,0,0,0,0,0|2,0,1]=4 1602 B15R0.70 CCCCCCOCCCCCCCCBr 7a_100009813846_100000210314 [1,0,0,0,0,0|2,0,1]=4 1603 B15R0.70 CCCCCCOCCCCCCCCCl 34a_100000033203_100000210314 [1,0,0,0,0,0|2,0,1]=4 1604 B15R0.70 CCCCCCOCCCCCCCCCl 7a_100000033203_100000210314 [1,0,0,0,0,0|2,0,1]=4 1605 B15R0.70 CCCCCCOCCCCCCCCN 34a_102515433106_100000210314 [1,0,0,0,0,0|2,0,1]=4 1606 B15R0.70 CCCCCCOCCCCCCCCO 34a_100000210259_100000033203 [1,0,0,0,0,0|1,0,1]=3 1607 B15R0.70 CCCCCCOCCCCCCCCO 7a_100000210259_100000033203 [1,0,0,0,0,0|1,0,1]=3 1608 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [1,0,0,0,0,0|2,0,0]=3 1609 B15R0.70 CCCCCCOCCOCCCCCO 34a_100000691444_100000746330 [1,0,0,0,0,0|2,0,1]=4 1610 B15R0.70 CCCCCCOCCOCCCCCO 7a_100000691444_100000746330 [1,0,0,0,0,0|2,0,1]=4 1611 B15R0.70 CCCCCCOCCOCCOCC=O 34a_100000032842_200009817547 [1,0,0,0,0,0|3,0,0]=4 1612 B15R0.70 CCCCCCOCCOCCOCC=O 7a_100000032842_200015260668 [1,0,0,0,0,0|3,0,0]=4 1613 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000033203_100000210757 [1,0,0,0,0,0|1,0,1]=3 1614 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000210314_100000033203 [1,0,0,0,0,0|1,0,1]=3 1615 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000078944_100000210326 [1,0,0,0,0,0|1,0,1]=3 1616 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000209983_100009813782 [1,0,0,0,0,0|1,0,1]=3 1617 B15R0.70 CCCCCNCCCCCCCCCO 34a_100000078944_100000718602 [1,0,0,0,0,0|1,0,1]=3 1618 B15R0.70 CCCCCNCCOCCCCCCO 34a_100000224656_100000766143 [1,0,0,0,0,0|2,0,1]=4 1619 B15R0.70 CCCCCOCCCCCCCCCBr 34a_100009813782_100000718602 [1,0,0,0,0,0|2,0,1]=4 1620 B15R0.70 CCCCCOCCCCCCCCCBr 7a_100009813782_100000210326 [1,0,0,0,0,0|2,0,1]=4 1621 B15R0.70 CCCCCOCCCCCCCCCCl 34a_100009868337_100000718602 [1,0,0,0,0,0|2,0,1]=4 1622 B15R0.70 CCCCCOCCCCCCCCCCl 7a_100009868337_100000210326 [1,0,0,0,0,0|2,0,1]=4 1623 B15R0.70 CCCCCOCCCCCCCCCN 34a_100000078944_100000718602 [1,0,0,0,0,0|2,0,1]=4 1624 B15R0.70 CCCCCOCCCCCCCCCO 34a_100000210253_100009813782 [1,0,0,0,0,0|1,0,1]=3 1625 B15R0.70 CCCCCOCCCCCCCCCO 7a_100000210253_100009813782 [1,0,0,0,0,0|1,0,1]=3 1626 B15R0.70 CCCCCOCCOCCCCCC=O 7a_100011215259_100000139337 [1,0,0,0,0,0|2,0,0]=3 1627 B15R0.70 CCCCCOCCOCCCCCCO 34a_100011215259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1628 B15R0.70 CCCCCOCCOCCCCCCO 7a_100011215259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1629 B15R0.70 CCCCCSCCCCCCCCCO 62a_100000210326_100009813782 [1,0,0,0,0,0|1,0,1]=3 1630 B15R0.70 CCCCCSCCCCCCCCCO 62a_100009813782_100000210326 [1,0,0,0,0,0|1,0,1]=3 1631 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000066964_100000210211 [1,0,0,0,0,0|1,0,1]=3 1632 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000102301_100009813290 [1,0,0,0,0,0|1,0,1]=3 1633 B15R0.70 CCCCNCCCCCCCCCCO 34a_100000066964_100000210210 [1,0,0,0,0,0|1,0,1]=3 1634 B15R0.70 CCCCNCCCCCCCCCCO 7a_106832991798_100009813290 [1,0,0,0,0,0|1,0,1]=3 1635 B15R0.70 CCCCNCCCCOCCCCCO 34a_200011216965_100000746330 [1,0,0,0,0,0|2,0,1]=4 1636 B15R0.70 CCCCOCCCCCCCCCCBr 34a_100009813290_100000210210 [1,0,0,0,0,0|2,0,1]=4 1637 B15R0.70 CCCCOCCCCCCCCCCBr 7a_100009813290_100000210211 [1,0,0,0,0,0|2,0,1]=4 1638 B15R0.70 CCCCOCCCCCCCCCCCl 34a_200000033068_100000210210 [1,0,0,0,0,0|2,0,1]=4 1639 B15R0.70 CCCCOCCCCCCCCCCCl 7a_200000033068_100000210211 [1,0,0,0,0,0|2,0,1]=4 1640 B15R0.70 CCCCOCCCCCCCCCCN 34a_100000066964_100000210210 [1,0,0,0,0,0|2,0,1]=4 1641 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [1,0,0,0,0,0|1,0,1]=3 1642 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [1,0,0,0,0,0|1,0,1]=3 1643 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [1,0,0,0,0,0|2,0,0]=3 1644 B15R0.70 CCCCOCCCCOCCCCCO 34a_200000760531_100000746330 [1,0,0,0,0,0|2,0,1]=4 1645 B15R0.70 CCCCOCCCCOCCCCCO 7a_200000760531_100000746330 [1,0,0,0,0,0|2,0,1]=4 1646 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [1,0,0,0,0,0|2,0,0]=3 1647 B15R0.70 CCCCOCCCNCCCCCCO 2230a_200000211371_100000766143 [1,0,0,0,0,0|2,0,1]=4 1648 B15R0.70 CCCCOCCCNCCCCCCO 34a_200000211371_100000766143 [1,0,0,0,0,0|2,0,1]=4 1649 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [1,0,0,0,0,0|2,0,0]=3 1650 B15R0.70 CCCCOCCCOCCCCCCO 34a_200011215613_100000766143 [1,0,0,0,0,0|2,0,1]=4 1651 B15R0.70 CCCCOCCCOCCCCCCO 7a_200011215613_100000766143 [1,0,0,0,0,0|2,0,1]=4 1652 B15R0.70 CCCCOCCNCCCCCCCO 2230a_100011996573_100000743108 [1,0,0,0,0,0|2,0,1]=4 1653 B15R0.70 CCCCOCCNCCCCCCCO 34a_100011996573_100000743108 [1,0,0,0,0,0|2,0,1]=4 1654 B15R0.70 CCCCOCCOCCCCCCCO 34a_100000210238_100000760002 [1,0,0,0,0,0|2,0,1]=4 1655 B15R0.70 CCCCOCCOCCCCCCCO 7a_100000210238_100000760002 [1,0,0,0,0,0|2,0,1]=4 1656 B15R0.70 CCCCOCCOCCOCCCC=O 7a_100011215186_200011292268 [1,0,0,0,0,0|3,0,0]=4 1657 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000743108_100000760002 [1,0,0,0,0,0|2,0,1]=4 1658 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000760002_100000743108 [1,0,0,0,0,0|2,0,1]=4 1659 B15R0.70 CCCCOCNCCCCCCCCO 2230a_102515433106_100011995733 [1,0,0,0,0,0|2,0,1]=4 1660 B15R0.70 CCCCOCNCCCCCCCCO 34a_102515433106_100011995733 [1,0,0,0,0,0|2,0,1]=4 1661 B15R0.70 CCCCOCSCCCCCCCCO 62a_100000033203_100011995733 [1,0,0,0,0,0|2,0,1]=4 1662 B15R0.70 CCCCOCSCCCCCCCCO 62a_100011995733_100000033203 [1,0,0,0,0,0|2,0,1]=4 1663 B15R0.70 CCCCSCCCCCCCCCCO 62a_100000210211_200000033068 [1,0,0,0,0,0|1,0,1]=3 1664 B15R0.70 CCCCSCCCCCCCCCCO 62a_100009813290_100000210210 [1,0,0,0,0,0|1,0,1]=3 1665 B15R0.70 CCCCSCCNCCCCCCCO 2230a_100025743550_100000760002 [1,0,0,0,0,0|2,0,1]=4 1666 B15R0.70 CCCCSCCOCCCCCCCO 34a_200000230436_100000760002 [1,0,0,0,0,0|2,0,1]=4 1667 B15R0.70 CCCCSCCOCCCCCCCO 7a_200000230436_100000760002 [1,0,0,0,0,0|2,0,1]=4 1668 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [1,0,0,0,0,0|2,0,1]=4 1669 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [1,0,0,0,0,0|2,0,1]=4 1670 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [1,0,0,0,0,0|1,0,1]=3 1671 B15R0.70 CCCOCCCNCCCCCCCO 2230a_100011217757_100000760002 [1,0,0,0,0,0|2,0,1]=4 1672 B15R0.70 CCCOCCCNCCCCCCCO 34a_100011217757_100000760002 [1,0,0,0,0,0|2,0,1]=4 1673 B15R0.70 CCCOCCNCCCCCCCCO 2230a_100161115042_100000033203 [1,0,0,0,0,0|2,0,1]=4 1674 B15R0.70 CCCOCCNCCCCCCCCO 2230a_102515433106_100011215938 [1,0,0,0,0,0|2,0,1]=4 1675 B15R0.70 CCCOCCNCCCCCCCCO 34a_100161115042_100000033203 [1,0,0,0,0,0|2,0,1]=4 1676 B15R0.70 CCCOCCNCCCCCCCCO 34a_102515433106_100011215938 [1,0,0,0,0,0|2,0,1]=4 1677 B15R0.70 CCCOCCOCCCCCCCCO 34a_100000752267_100000033203 [1,0,0,0,0,0|2,0,1]=4 1678 B15R0.70 CCCOCCOCCCCCCCCO 7a_100000752267_100000033203 [1,0,0,0,0,0|2,0,1]=4 1679 B15R0.70 CCCOCCOCCNCCCCC=O 2230a_200011904461_100000139335 [1,0,0,0,0,0|3,0,0]=4 1680 B15R0.70 CCCOCCSCCCCCCCCO 62a_100000033203_100011215938 [1,0,0,0,0,0|2,0,1]=4 1681 B15R0.70 CCCOCCSCCCCCCCCO 62a_100011215938_100000033203 [1,0,0,0,0,0|2,0,1]=4 1682 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [1,0,0,0,0,0|1,0,1]=3 1683 B15R0.70 CCCSCCNCCCCCCCCO 2230a_100020603323_100000033203 [1,0,0,0,0,0|2,0,1]=4 1684 B15R0.70 CCCSCCOCCCCCCCCO 34a_200000230433_100000033203 [1,0,0,0,0,0|2,0,1]=4 1685 B15R0.70 CCCSCCOCCCCCCCCO 7a_200000230433_100000033203 [1,0,0,0,0,0|2,0,1]=4 1686 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100000066677_100000210202 [1,0,0,0,0,0|1,0,1]=3 1687 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100015525214_100009813331 [1,0,0,0,0,0|1,0,1]=3 1688 B15R0.70 CCNCCCCCCCCCCCCO 34a_100000066677_100000210202 [1,0,0,0,0,0|1,0,1]=3 1689 B15R0.70 CCNCCCCCCOCCCCCO 2230a_100015525214_200132310570 [1,0,0,0,0,0|2,0,1]=4 1690 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [1,0,0,0,0,0|2,0,1]=4 1691 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [1,0,0,0,0,0|2,0,1]=4 1692 B15R0.70 CCOCCCCCCCCCCCCN 34a_100000066677_100000210202 [1,0,0,0,0,0|2,0,1]=4 1693 B15R0.70 CCOCCCCCCCCCCCCO 34a_100121572206_100009813331 [1,0,0,0,0,0|1,0,1]=3 1694 B15R0.70 CCOCCCCCCCCCOCC=O 34a_100009875440_200009817547 [1,0,0,0,0,0|2,0,0]=3 1695 B15R0.70 CCOCCCCCCCCCOCC=O 7a_100009875440_200015260668 [1,0,0,0,0,0|2,0,0]=3 1696 B15R0.70 CCOCCCCCCCCCOCCO 34a_100009875440_100000211926 [1,0,0,0,0,0|2,0,1]=4 1697 B15R0.70 CCOCCCCCCCCCOCCO 7a_100009875440_100000211926 [1,0,0,0,0,0|2,0,1]=4 1698 B15R0.70 CCOCCCCCCOCCCCCO 34a_100121572206_200132310570 [1,0,0,0,0,0|2,0,1]=4 1699 B15R0.70 CCOCCCNCCCCCCCCO 2230a_100000210961_100000033203 [1,0,0,0,0,0|2,0,1]=4 1700 B15R0.70 CCOCCCNCCCCCCCCO 2230a_102515433106_100012232248 [1,0,0,0,0,0|2,0,1]=4 1701 B15R0.70 CCOCCCNCCCCCCCCO 34a_100000210961_100000033203 [1,0,0,0,0,0|2,0,1]=4 1702 B15R0.70 CCOCCCNCCCCCCCCO 34a_102515433106_100012232248 [1,0,0,0,0,0|2,0,1]=4 1703 B15R0.70 CCOCCCOCCCCCCCCO 34a_100000757476_100000033203 [1,0,0,0,0,0|2,0,1]=4 1704 B15R0.70 CCOCCCOCCCCCCCCO 7a_100000757476_100000033203 [1,0,0,0,0,0|2,0,1]=4 1705 B15R0.70 CCOCCCSCCCCCCCCO 62a_100000033203_100012232248 [1,0,0,0,0,0|2,0,1]=4 1706 B15R0.70 CCOCCCSCCCCCCCCO 62a_100012232248_100000033203 [1,0,0,0,0,0|2,0,1]=4 1707 B15R0.70 CCOCCNCCCCCCCCCO 2230a_100000078944_100011215890 [1,0,0,0,0,0|2,0,1]=4 1708 B15R0.70 CCOCCNCCCCCCCCCO 2230a_102516460346_100009813782 [1,0,0,0,0,0|2,0,1]=4 1709 B15R0.70 CCOCCNCCCCCCCCCO 34a_100000078944_100000210147 [1,0,0,0,0,0|2,0,1]=4 1710 B15R0.70 CCOCCNCCCCCCCCCO 34a_102516460346_100009813782 [1,0,0,0,0,0|2,0,1]=4 1711 B15R0.70 CCOCCOCCCCCCCCCO 34a_100000210136_100009813782 [1,0,0,0,0,0|2,0,1]=4 1712 B15R0.70 CCOCCOCCCCCCCCCO 7a_100000210136_100009813782 [1,0,0,0,0,0|2,0,1]=4 1713 B15R0.70 CCOCCOCCNCCCCCC=O 2230a_100102712874_100000139337 [1,0,0,0,0,0|3,0,0]=4 1714 B15R0.70 CCOCCOCCOCCCCCC=O 7a_100000210240_100000139337 [1,0,0,0,0,0|3,0,0]=4 1715 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100000139337_100011211534 [1,0,0,0,0,0|3,0,0]=4 1716 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100011211534_100000139337 [1,0,0,0,0,0|3,0,0]=4 1717 B15R0.70 CCOCCSCCCCCCCCCO 62a_100000210147_100009813782 [1,0,0,0,0,0|2,0,1]=4 1718 B15R0.70 CCOCCSCCCCCCCCCO 62a_100009813782_100011215890 [1,0,0,0,0,0|2,0,1]=4 1719 B15R0.70 CCOCSCCCCCCCCCCO 62a_100000739092_200000033068 [1,0,0,0,0,0|2,0,1]=4 1720 B15R0.70 CCOCSCCCCCCCCCCO 62a_100009813290_100000739092 [1,0,0,0,0,0|2,0,1]=4 1721 B15R0.70 CCSCCCCCCCCCCCCO 62a_100009813331_100000210202 [1,0,0,0,0,0|1,0,1]=3 1722 B15R0.70 CCSCCCCCCOCCCCCO 62a_100000210202_200132310570 [1,0,0,0,0,0|2,0,1]=4 1723 B15R0.70 CCSCCCCCCOCCCCCO 62a_200132310570_100000210202 [1,0,0,0,0,0|2,0,1]=4 1724 B15R0.70 CCSCCCOCCCCCCCCO 34a_100011216438_100000033203 [1,0,0,0,0,0|2,0,1]=4 1725 B15R0.70 CCSCCCOCCCCCCCCO 7a_100011216438_100000033203 [1,0,0,0,0,0|2,0,1]=4 1726 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000078944_100000757381 [1,0,0,0,0,0|2,0,1]=4 1727 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000106463_100009813782 [1,0,0,0,0,0|2,0,1]=4 1728 B15R0.70 CCSCCNCCCCCCCCCO 34a_100000078944_100000757381 [1,0,0,0,0,0|2,0,1]=4 1729 B15R0.70 CCSCCOCCCCCCCCCO 34a_100000212035_100009813782 [1,0,0,0,0,0|2,0,1]=4 1730 B15R0.70 CCSCCOCCCCCCCCCO 7a_100000212035_100009813782 [1,0,0,0,0,0|2,0,1]=4 1731 B15R0.70 CCSCCSCCCCCCCCCO 62a_100000757381_100009813782 [1,0,0,0,0,0|2,0,1]=4 1732 B15R0.70 CCSCCSCCCCCCCCCO 62a_100009813782_100000757381 [1,0,0,0,0,0|2,0,1]=4 1733 B15R0.70 CNCCCCCCCCCCCCCO 2230a_106832991635_100009812470 [1,0,0,0,0,0|1,0,1]=3 1734 B15R0.70 CNCCCCCCCCCCCCCO 34a_100102657272_100009812470 [1,0,0,0,0,0|1,0,1]=3 1735 B15R0.70 CNCCCCCCCCCCCCCO 7a_106832991635_100009812470 [1,0,0,0,0,0|1,0,1]=3 1736 B15R0.70 CNCCCCCOCCCCCCCO 34a_100000722520_100000760002 [1,0,0,0,0,0|2,0,1]=4 1737 B15R0.70 CNCCCOCCCCCCCCCO 34a_100000213112_100009813782 [1,0,0,0,0,0|2,0,1]=4 1738 B15R0.70 COCCCCCCCCCCCCCBr 34a_100009812470_200000210301 [1,0,0,0,0,0|2,0,1]=4 1739 B15R0.70 COCCCCCCCCCCCCCBr 7a_100009812470_200000210301 [1,0,0,0,0,0|2,0,1]=4 1740 B15R0.70 COCCCCCCCCCCCCCO 34a_100138415774_100009812470 [1,0,0,0,0,0|1,0,1]=3 1741 B15R0.70 COCCCCCCNCCCCCCO 2230a_100000686447_100011998445 [1,0,0,0,0,0|2,0,1]=4 1742 B15R0.70 COCCCCCCNCCCCCCO 34a_100000686447_100011998445 [1,0,0,0,0,0|2,0,1]=4 1743 B15R0.70 COCCCCCCOCCCCCC=O 7a_200012092642_100000139337 [1,0,0,0,0,0|2,0,0]=3 1744 B15R0.70 COCCCCCCOCCCCCCO 34a_200012092642_100000766143 [1,0,0,0,0,0|2,0,1]=4 1745 B15R0.70 COCCCCCCOCCCCCCO 7a_200012092642_100000766143 [1,0,0,0,0,0|2,0,1]=4 1746 B15R0.70 COCCCCCCSCCCCCC=O 62a_100000139337_100011998445 [1,0,0,0,0,0|2,0,0]=3 1747 B15R0.70 COCCCCCCSCCCCCC=O 62a_100011998445_100000139337 [1,0,0,0,0,0|2,0,0]=3 1748 B15R0.70 COCCCCCCSCCCCCCO 62a_100000766143_100011998445 [1,0,0,0,0,0|2,0,1]=4 1749 B15R0.70 COCCCCCCSCCCCCCO 62a_100011998445_100000766143 [1,0,0,0,0,0|2,0,1]=4 1750 B15R0.70 COCCCCCNCCCCCCCO 2230a_100000747528_100000760002 [1,0,0,0,0,0|2,0,1]=4 1751 B15R0.70 COCCCCCNCCCCCCCO 34a_100000747528_100000760002 [1,0,0,0,0,0|2,0,1]=4 1752 B15R0.70 COCCCCNCCCCCCCCO 2230a_102515433106_100000730899 [1,0,0,0,0,0|2,0,1]=4 1753 B15R0.70 COCCCCNCCCCCCCCO 34a_102515433106_100000755781 [1,0,0,0,0,0|2,0,1]=4 1754 B15R0.70 COCCCCOCCCCCCCCO 34a_100000740925_100000033203 [1,0,0,0,0,0|2,0,1]=4 1755 B15R0.70 COCCCCSCCCCCCCCO 62a_100000033203_100000730899 [1,0,0,0,0,0|2,0,1]=4 1756 B15R0.70 COCCCCSCCCCCCCCO 62a_100000730899_100000033203 [1,0,0,0,0,0|2,0,1]=4 1757 B15R0.70 COCCCNCCCCCCCCCO 2230a_100000078944_100000740836 [1,0,0,0,0,0|2,0,1]=4 1758 B15R0.70 COCCCNCCCCCCCCCO 34a_100000078944_100000740836 [1,0,0,0,0,0|2,0,1]=4 1759 B15R0.70 COCCCNCCCCCCCCCO 34a_100150723488_100009813782 [1,0,0,0,0,0|2,0,1]=4 1760 B15R0.70 COCCCOCCCCCCCCCO 34a_100000740835_100009813782 [1,0,0,0,0,0|2,0,1]=4 1761 B15R0.70 COCCCOCCCOCCCCC=O 7a_200011215475_100000139335 [1,0,0,0,0,0|3,0,0]=4 1762 B15R0.70 COCCCSCCCCCCCCCO 62a_100000709357_100009813782 [1,0,0,0,0,0|2,0,1]=4 1763 B15R0.70 COCCCSCCCCCCCCCO 62a_100009813782_100000709357 [1,0,0,0,0,0|2,0,1]=4 1764 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000066964_100011201679 [1,0,0,0,0,0|2,0,1]=4 1765 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000209980_100009813290 [1,0,0,0,0,0|2,0,1]=4 1766 B15R0.70 COCCNCCCCCCCCCCO 34a_100000066964_100011201679 [1,0,0,0,0,0|2,0,1]=4 1767 B15R0.70 COCCOCCCCCCCCCCO 34a_100000210237_100009813290 [1,0,0,0,0,0|2,0,1]=4 1768 B15R0.70 COCCOCCCNCCCCCC=O 2230a_100000206027_100000139337 [1,0,0,0,0,0|3,0,0]=4 1769 B15R0.70 COCCOCCCSCCCCCC=O 62a_100000139337_100011216529 [1,0,0,0,0,0|3,0,0]=4 1770 B15R0.70 COCCOCCCSCCCCCC=O 62a_100011216529_100000139337 [1,0,0,0,0,0|3,0,0]=4 1771 B15R0.70 COCCSCCCCCCCCCCO 62a_100000233755_200000033068 [1,0,0,0,0,0|2,0,1]=4 1772 B15R0.70 COCCSCCCCCCCCCCO 62a_100009813290_100000233755 [1,0,0,0,0,0|2,0,1]=4 1773 B15R0.70 COCSCCCCCCCCCCCO 62a_100009812471_100000766300 [1,0,0,0,0,0|2,0,1]=4 1774 B15R0.70 CSCCCCCCCCCCCCCO 62a_100009812470_200000210301 [1,0,0,0,0,0|1,0,1]=3 1775 B15R0.70 CSCCCCOCCCCCCCCO 34a_100011217163_100000033203 [1,0,0,0,0,0|2,0,1]=4 1776 B15R0.70 CSCCCCOCCCCCCCCO 7a_100011217163_100000033203 [1,0,0,0,0,0|2,0,1]=4 1777 B15R0.70 CSCCCNCCCCCCCCCO 2230a_100000749238_100009813782 [1,0,0,0,0,0|2,0,1]=4 1778 B15R0.70 CSCCCOCCCCCCCCCO 34a_100000690336_100009813782 [1,0,0,0,0,0|2,0,1]=4 1779 B15R0.70 CSCCCOCCCCCCCCCO 7a_100000690336_100009813782 [1,0,0,0,0,0|2,0,1]=4 1780 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100000066964_100000751147 [1,0,0,0,0,0|2,0,1]=4 1781 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100020590264_100009813290 [1,0,0,0,0,0|2,0,1]=4 1782 B15R0.70 CSCCNCCCCCCCCCCO 34a_100000066964_100000212216 [1,0,0,0,0,0|2,0,1]=4 1783 B15R0.70 CSCCOCCCCCCCCCCO 34a_100000230434_100009813290 [1,0,0,0,0,0|2,0,1]=4 1784 B15R0.70 CSCCOCCCCCCCCCCO 7a_100000230434_100009813290 [1,0,0,0,0,0|2,0,1]=4 1785 B15R0.70 CSCCSCCCCCCCCCCO 62a_100000212216_200000033068 [1,0,0,0,0,0|2,0,1]=4 1786 B15R0.70 CSCCSCCCCCCCCCCO 62a_100009813290_100000751147 [1,0,0,0,0,0|2,0,1]=4 1787 B15R0.70 CSCSCCCCCCCCCCCO 62a_100009812471_100011218213 [1,0,0,0,0,0|2,0,1]=4 1788 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100000139337_100009813337 [1,0,0,0,0,0|2,0,1]=4 1789 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100009813337_100000139337 [1,0,0,0,0,0|2,0,1]=4 1790 B15R0.70 NCCCCCCCCCCOCCCO 34a_100000066964_100000230001 [1,0,0,0,0,0|2,0,1]=4 1791 B15R0.70 NCCCCCCCCCOCCCCO 34a_100000078944_100011216708 [1,0,0,0,0,0|2,0,1]=4 1792 B15R0.70 NCCCCCCCCOCCCCCO 34a_102515433106_100000746330 [1,0,0,0,0,0|2,0,1]=4 1793 B15R0.70 NCCCCCCCOCCCCCCO 34a_100011996573_100000766143 [1,0,0,0,0,0|2,0,1]=4 1794 B15R0.70 NCCCCCCOCCCCCCCO 34a_100000686447_100000760002 [1,0,0,0,0,0|2,0,1]=4 1795 B15R0.70 NCCCCCOCCCCCCCCO 34a_100000762737_100000033203 [1,0,0,0,0,0|2,0,1]=4 1796 B15R0.70 NCCCCOCCCCCCCCCO 34a_100000750430_100009813782 [1,0,0,0,0,0|2,0,1]=4 1797 B15R0.70 NCCCOCCCCCCCCCCO 34a_100000182051_100009813290 [1,0,0,0,0,0|2,0,1]=4 1798 B15R0.70 NCCOCCCCCCCCCCCO 34a_100000210304_100009812471 [1,0,0,0,0,0|2,0,1]=4 1799 B15R0.70 O=CCCCCCNCCCCCCCO 2230a_100011996573_100000139337 [1,0,0,0,0,0|2,0,0]=3 1800 B15R0.70 O=CCCCCCNCCCOCCCO 2230a_100011310245_100000139337 [1,0,0,0,0,0|3,0,0]=4 1801 B15R0.70 O=CCCCCCOCCCCCCCBr 7a_100000760002_100000139337 [1,0,0,0,0,0|2,0,0]=3 1802 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000139337_100000760002 [1,0,0,0,0,0|2,0,0]=3 1803 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000760002_100000139337 [1,0,0,0,0,0|2,0,0]=3 1804 B15R0.70 O=CCCCCNCCCCCCCCO 2230a_102515433106_100000139335 [1,0,0,0,0,0|2,0,0]=3 1805 B15R0.70 O=CCCCCOCCCCCCCCBr 7a_100009813846_100000139335 [1,0,0,0,0,0|2,0,0]=3 1806 B15R0.70 O=CCCCCOCCCCCCCCCl 7a_100000033203_100000139335 [1,0,0,0,0,0|2,0,0]=3 1807 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000033203_100000139335 [1,0,0,0,0,0|2,0,0]=3 1808 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000139335_100000033203 [1,0,0,0,0,0|2,0,0]=3 1809 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [1,0,0,0,0,0|2,0,0]=3 1810 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [1,0,0,0,0,0|2,0,0]=3 1811 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [1,0,0,0,0,0|2,0,0]=3 1812 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [1,0,0,0,0,0|2,0,0]=3 1813 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [1,0,0,0,0,0|2,0,0]=3 1814 B15R0.70 O=CCOCCCCCCCCCCCBr 34a_100009812471_200009817547 [1,0,0,0,0,0|2,0,0]=3 1815 B15R0.70 O=CCOCCCCCCCCCCCBr 7a_100009812471_200015260668 [1,0,0,0,0,0|2,0,0]=3 1816 B15R0.70 O=CCSCCCCCCCCCCCO 62a_100009812471_200015260668 [1,0,0,0,0,0|2,0,0]=3 1817 B15R0.70 OCCCCCCCCCCCCNCF 34a_100000066677_100015361967 [1,0,0,0,0,0|2,0,1]=4 1818 B15R0.70 OCCCCCCCCCCCCSCF 62a_100009813331_100015361967 [1,0,0,0,0,0|2,0,1]=4 1819 B15R0.70 OCCCCCCCCCCCNCCF 34a_100000724931_100009812471 [1,0,0,0,0,0|2,0,1]=4 1820 B15R0.70 OCCCCCCCCCCCNCCO 2230a_100016997473_100009812471 [1,0,0,0,0,0|2,0,1]=4 1821 B15R0.70 OCCCCCCCCCCCNCCO 34a_100016990907_100009812471 [1,0,0,0,0,0|2,0,1]=4 1822 B15R0.70 OCCCCCCCCCCCOCCBr 34a_100000211926_100009812471 [1,0,0,0,0,0|2,0,1]=4 1823 B15R0.70 OCCCCCCCCCCCSCCF 62a_100009812471_100011217306 [1,0,0,0,0,0|2,0,1]=4 1824 B15R0.70 OCCCCCCCCCCCSCCO 62a_100009812471_100000211926 [1,0,0,0,0,0|2,0,1]=4 1825 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100000066964_100011934791 [1,0,0,0,0,0|2,0,1]=4 1826 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100015189416_100009813290 [1,0,0,0,0,0|2,0,1]=4 1827 B15R0.70 OCCCCCCCCCCNCCCF 34a_100000066964_100011934791 [1,0,0,0,0,0|2,0,1]=4 1828 B15R0.70 OCCCCCCCCCCNCCCF 34a_100015189416_100009813290 [1,0,0,0,0,0|2,0,1]=4 1829 B15R0.70 OCCCCCCCCCCNCCCO 2230a_100000066964_100000230001 [1,0,0,0,0,0|2,0,1]=4 1830 B15R0.70 OCCCCCCCCCCNCCCO 34a_100000066964_100000230001 [1,0,0,0,0,0|2,0,1]=4 1831 B15R0.70 OCCCCCCCCCCOCCCBr 34a_100011217188_100009813290 [1,0,0,0,0,0|2,0,1]=4 1832 B15R0.70 OCCCCCCCCCCOCCCCl 34a_100000230001_100009813290 [1,0,0,0,0,0|2,0,1]=4 1833 B15R0.70 OCCCCCCCCCCOCCCF 34a_100000759539_100009813290 [1,0,0,0,0,0|2,0,1]=4 1834 B15R0.70 OCCCCCCCCCCSCCCF 62a_100009813290_100011934791 [1,0,0,0,0,0|2,0,1]=4 1835 B15R0.70 OCCCCCCCCCCSCCCF 62a_100011934791_200000033068 [1,0,0,0,0,0|2,0,1]=4 1836 B15R0.70 OCCCCCCCCCCSCCCO 62a_100009813290_100011215043 [1,0,0,0,0,0|2,0,1]=4 1837 B15R0.70 OCCCCCCCCCCSCCCO 62a_100011215043_200000033068 [1,0,0,0,0,0|2,0,1]=4 1838 B15R0.70 OCCCCCCCCCNCCCCF 2230a_100000078944_100000729493 [1,0,0,0,0,0|2,0,1]=4 1839 B15R0.70 OCCCCCCCCCNCCCCF 34a_100000078944_100000729493 [1,0,0,0,0,0|2,0,1]=4 1840 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000078944_100000210776 [1,0,0,0,0,0|2,0,1]=4 1841 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000750430_100009813782 [1,0,0,0,0,0|2,0,1]=4 1842 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000078944_100011216708 [1,0,0,0,0,0|2,0,1]=4 1843 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000750430_100009813782 [1,0,0,0,0,0|2,0,1]=4 1844 B15R0.70 OCCCCCCCCCOCCCCBr 34a_100011216708_100009813782 [1,0,0,0,0,0|2,0,1]=4 1845 B15R0.70 OCCCCCCCCCOCCCCCl 34a_100000210776_100009813782 [1,0,0,0,0,0|2,0,1]=4 1846 B15R0.70 OCCCCCCCCCOCCCCCl 7a_100000210776_100009813782 [1,0,0,0,0,0|2,0,1]=4 1847 B15R0.70 OCCCCCCCCCOCCCCF 34a_100011995726_100009813782 [1,0,0,0,0,0|2,0,1]=4 1848 B15R0.70 OCCCCCCCCCOCCCCF 7a_100011995726_100009813782 [1,0,0,0,0,0|2,0,1]=4 1849 B15R0.70 OCCCCCCCCCOCCCCI 34a_200012148704_100009813782 [1,0,0,0,0,0|2,0,1]=4 1850 B15R0.70 OCCCCCCCCCSCCCCF 62a_100000729493_100009813782 [1,0,0,0,0,0|2,0,1]=4 1851 B15R0.70 OCCCCCCCCCSCCCCF 62a_100009813782_100000729493 [1,0,0,0,0,0|2,0,1]=4 1852 B15R0.70 OCCCCCCCCCSCCCCO 62a_100000210776_100009813782 [1,0,0,0,0,0|2,0,1]=4 1853 B15R0.70 OCCCCCCCCCSCCCCO 62a_100009813782_100000210776 [1,0,0,0,0,0|2,0,1]=4 1854 B15R0.70 OCCCCCCCCNCCCCCF 2230a_102515433106_100000729378 [1,0,0,0,0,0|2,0,1]=4 1855 B15R0.70 OCCCCCCCCNCCCCCF 34a_102515433106_100000729378 [1,0,0,0,0,0|2,0,1]=4 1856 B15R0.70 OCCCCCCCCNCCCCCO 2230a_100000762737_100000033203 [1,0,0,0,0,0|2,0,1]=4 1857 B15R0.70 OCCCCCCCCNCCCCCO 2230a_102515433106_100000746330 [1,0,0,0,0,0|2,0,1]=4 1858 B15R0.70 OCCCCCCCCNCCCCCO 34a_100000762737_100000033203 [1,0,0,0,0,0|2,0,1]=4 1859 B15R0.70 OCCCCCCCCNCCCCCO 34a_102515433106_100000746330 [1,0,0,0,0,0|2,0,1]=4 1860 B15R0.70 OCCCCCCCCOCCCCCBr 34a_100000746331_100000033203 [1,0,0,0,0,0|2,0,1]=4 1861 B15R0.70 OCCCCCCCCOCCCCCBr 7a_100000746331_100000033203 [1,0,0,0,0,0|2,0,1]=4 1862 B15R0.70 OCCCCCCCCOCCCCCCl 34a_100000746330_100000033203 [1,0,0,0,0,0|2,0,1]=4 1863 B15R0.70 OCCCCCCCCOCCCCCCl 7a_100000746330_100000033203 [1,0,0,0,0,0|2,0,1]=4 1864 B15R0.70 OCCCCCCCCOCCCCCI 34a_200012148887_100000033203 [1,0,0,0,0,0|2,0,1]=4 1865 B15R0.70 OCCCCCCCCOCCCCCI 7a_200012148887_100000033203 [1,0,0,0,0,0|2,0,1]=4 1866 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000033203_100000729378 [1,0,0,0,0,0|2,0,1]=4 1867 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000729378_100000033203 [1,0,0,0,0,0|2,0,1]=4 1868 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000033203_100000746330 [1,0,0,0,0,0|2,0,1]=4 1869 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000746330_100000033203 [1,0,0,0,0,0|2,0,1]=4 1870 B15R0.70 OCCCCCCCNCCCCCCF 2230a_100011996573_100015922095 [1,0,0,0,0,0|2,0,1]=4 1871 B15R0.70 OCCCCCCCNCCCCCCF 34a_100011996573_100015922095 [1,0,0,0,0,0|2,0,1]=4 1872 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100000686447_100000760002 [1,0,0,0,0,0|2,0,1]=4 1873 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100011996573_100000766143 [1,0,0,0,0,0|2,0,1]=4 1874 B15R0.70 OCCCCCCCNCCCCCCO 34a_100000686447_100000760002 [1,0,0,0,0,0|2,0,1]=4 1875 B15R0.70 OCCCCCCCNCCCCCCO 34a_100011996573_100000766143 [1,0,0,0,0,0|2,0,1]=4 1876 B15R0.70 OCCCCCCCOCCCCCCBr 34a_100011215345_100000760002 [1,0,0,0,0,0|2,0,1]=4 1877 B15R0.70 OCCCCCCCOCCCCCCBr 7a_100011215345_100000760002 [1,0,0,0,0,0|2,0,1]=4 1878 B15R0.70 OCCCCCCCOCCCCCCCl 34a_100000766143_100000760002 [1,0,0,0,0,0|2,0,1]=4 1879 B15R0.70 OCCCCCCCOCCCCCCCl 7a_100000766143_100000760002 [1,0,0,0,0,0|2,0,1]=4 1880 B15R0.70 OCCCCCCCOCCCCCCF 34a_100000732779_100000760002 [1,0,0,0,0,0|2,0,1]=4 1881 B15R0.70 OCCCCCCCOCCCCCCF 7a_100000732779_100000760002 [1,0,0,0,0,0|2,0,1]=4 1882 B15R0.70 OCCCCCCCSCCCCCCF 62a_100000760002_100015922095 [1,0,0,0,0,0|2,0,1]=4 1883 B15R0.70 OCCCCCCCSCCCCCCF 62a_100015922095_100000760002 [1,0,0,0,0,0|2,0,1]=4 1884 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000760002_100000766143 [1,0,0,0,0,0|2,0,1]=4 1885 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000766143_100000760002 [1,0,0,0,0,0|2,0,1]=4 1886 B15R0.70 OCCCCCCOCCCCCCCBr 34a_100000760002_100000766143 [1,0,0,0,0,0|2,0,1]=4 1887 B15R0.70 OCCCCCCOCCCCCCCBr 7a_100000760002_100000766143 [1,0,0,0,0,0|2,0,1]=4 1888 B15R0.70 OCCCCCOCCCCCCCCBr 34a_100009813846_100000746330 [1,0,0,0,0,0|2,0,1]=4 1889 B15R0.70 OCCCCCOCCCCCCCCBr 7a_100009813846_100000746330 [1,0,0,0,0,0|2,0,1]=4 1890 B15R0.70 OCCCCCOCCCCCCCCCl 34a_100000033203_100000746330 [1,0,0,0,0,0|2,0,1]=4 1891 B15R0.70 OCCCCCOCCCCCCCCCl 7a_100000033203_100000746330 [1,0,0,0,0,0|2,0,1]=4 1892 B15R0.70 OCCCCOCCCCCCCCCBr 34a_100009813782_100011216708 [1,0,0,0,0,0|2,0,1]=4 1893 B15R0.70 OCCCCOCCCCCCCCCBr 7a_100009813782_100000210776 [1,0,0,0,0,0|2,0,1]=4 1894 B15R0.70 OCCCCOCCCCCCCCCCl 34a_100009868337_100011216708 [1,0,0,0,0,0|2,0,1]=4 1895 B15R0.70 OCCCCOCCCCCCCCCCl 7a_100009868337_100000210776 [1,0,0,0,0,0|2,0,1]=4 1896 B15R0.70 OCCCOCCCCCCCCCCBr 34a_100009813290_100000230001 [1,0,0,0,0,0|2,0,1]=4 1897 B15R0.70 OCCCOCCCCCCCCCCBr 7a_100009813290_100011215043 [1,0,0,0,0,0|2,0,1]=4 1898 B15R0.70 OCCCOCCCCCCCCCCCl 34a_200000033068_100000230001 [1,0,0,0,0,0|2,0,1]=4 1899 B15R0.70 OCCCOCCCCCCCCCCCl 7a_200000033068_100011215043 [1,0,0,0,0,0|2,0,1]=4 1900 B15R0.70 OCCOCCCCCCCCCCCBr 34a_100009812471_100000211926 [1,0,0,0,0,0|2,0,1]=4 1901 B15R0.70 OCCOCCCCCCCCCCCBr 7a_100009812471_100000211926 [1,0,0,0,0,0|2,0,1]=4 1902 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 34a_100009812470_200025704644 [1,0,0,0,0,0|2,0,1]=4 1903 B15R0.70 [13CH3]OCCCCCCCCCCCCCBr 7a_100009812470_200025704644 [1,0,0,0,0,0|2,0,1]=4 1904 B15R0.70 [13CH3]SCCCCCCCCCCCCCO 62a_100009812470_200025704644 [1,0,0,0,0,0|1,0,1]=3 1905 B15R0.164 C=C(Br)CCOCCCCCCCCCC 34a_100009813270_100000210320 [1,0,0,0,0,0|3,0,0]=4 1906 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [1,0,0,0,0,0|3,0,0]=4 1907 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [1,0,0,0,0,0|3,0,0]=4 1908 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [1,0,0,0,0,0|3,0,0]=4 1909 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [1,0,0,0,0,0|3,0,0]=4 1910 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [1,0,0,0,0,0|3,0,0]=4 1911 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [1,0,0,0,0,0|3,0,0]=4 1912 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [1,0,0,0,0,0|3,0,0]=4 1913 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [1,0,0,0,0,0|3,0,0]=4 1914 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210245_100011215454 [1,0,0,0,0,0|3,0,0]=4 1915 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210809_100000748629 [1,0,0,0,0,0|3,0,0]=4 1916 B15R0.164 C=C(C)COCCCCCCCCCCC 7a_100000210809_100000748629 [1,0,0,0,0,0|3,0,0]=4 1917 B15R0.164 C=C(C)CSCCCCCCCCCCC 62a_100000748629_100011215454 [1,0,0,0,0,0|3,0,0]=4 1918 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [1,0,0,0,0,0|3,0,0]=4 1919 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [1,0,0,0,0,0|3,0,0]=4 1920 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_100000210809_100009893438 [1,0,0,0,0,0|3,0,0]=4 1921 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_200010262243_100011215454 [1,0,0,0,0,0|3,0,0]=4 1922 B15R0.164 C=C(F)COCCCCCCCCCCC 7a_100000210809_100000042424 [1,0,0,0,0,0|3,0,0]=4 1923 B15R0.164 C=C(F)CSCCCCCCCCCCC 62a_100000042424_100011215454 [1,0,0,0,0,0|3,0,0]=4 1924 B15R0.164 C=CCCCCCCCCCCCC(=O)C 1458a_100000070787_102130925996 [1,0,0,0,0,0|1,0,2]=4 1925 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [1,0,0,0,0,0|1,0,2]=4 1926 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [1,0,0,0,0,0|2,0,0]=3 1927 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [1,0,0,0,0,0|3,0,0]=4 1928 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [1,0,0,0,0,0|3,0,0]=4 1929 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [1,0,0,0,0,0|3,0,0]=4 1930 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [1,0,0,0,0,0|3,0,0]=4 1931 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [1,0,0,0,0,0|3,0,0]=4 1932 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [1,0,0,0,0,0|3,0,0]=4 1933 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [1,0,0,0,0,0|3,0,0]=4 1934 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [1,0,0,0,0,0|3,0,0]=4 1935 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [1,0,0,0,0,0|3,0,0]=4 1936 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [1,0,0,0,0,0|3,0,0]=4 1937 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [1,0,0,0,0,0|3,0,0]=4 1938 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [1,0,0,0,0,0|3,0,0]=4 1939 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [1,0,0,0,0,0|3,0,0]=4 1940 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [1,0,0,0,0,0|3,0,0]=4 1941 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [1,0,0,0,0,0|3,0,0]=4 1942 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [1,0,0,0,0,0|3,0,0]=4 1943 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [1,0,0,0,0,0|3,0,0]=4 1944 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [1,0,0,0,0,0|3,0,0]=4 1945 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [1,0,0,0,0,0|3,0,0]=4 1946 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [1,0,0,0,0,0|3,0,0]=4 1947 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [1,0,0,0,0,0|3,0,0]=4 1948 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [1,0,0,0,0,0|3,0,0]=4 1949 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [1,0,0,0,0,0|3,0,0]=4 1950 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [1,0,0,0,0,0|3,0,0]=4 1951 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [1,0,0,0,0,0|1,0,0]=2 1952 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [1,0,0,0,0,0|1,0,0]=2 1953 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [1,0,0,0,0,0|1,0,0]=2 1954 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [1,0,0,0,0,0|3,0,0]=4 1955 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [1,0,0,0,0,0|3,0,0]=4 1956 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [1,0,0,0,0,0|3,0,0]=4 1957 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 1958 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 1959 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 1960 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [1,0,0,0,0,0|2,0,0]=3 1961 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [1,0,0,0,0,0|2,0,0]=3 1962 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [1,0,0,0,0,0|2,0,0]=3 1963 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [1,0,0,0,0,0|2,0,0]=3 1964 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [1,0,0,0,0,0|1,0,0]=2 1965 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [1,0,0,0,0,0|1,0,1]=3 1966 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [1,0,0,0,0,0|2,0,1]=4 1967 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [1,0,0,0,0,0|2,0,1]=4 1968 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [1,0,0,0,0,0|2,0,1]=4 1969 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [1,0,0,0,0,0|2,0,1]=4 1970 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [1,0,0,0,0,0|2,0,1]=4 1971 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [1,0,0,0,0,0|2,0,1]=4 1972 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [1,0,0,0,0,0|2,0,1]=4 1973 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [1,0,0,0,0,0|2,0,0]=3 1974 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [1,0,0,0,0,0|2,0,0]=3 1975 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [1,0,0,0,0,0|2,0,0]=3 1976 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [1,0,0,0,0,0|1,0,1]=3 1977 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [1,0,0,0,0,0|2,0,1]=4 1978 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [1,0,0,0,0,0|2,0,1]=4 1979 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [1,0,0,0,0,0|2,0,1]=4 1980 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [1,0,0,0,0,0|2,0,1]=4 1981 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [1,0,0,0,0,0|2,0,1]=4 1982 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [1,0,0,0,0,0|2,0,0]=3 1983 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [1,0,0,0,0,0|1,0,1]=3 1984 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [1,0,0,0,0,0|2,0,1]=4 1985 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [1,0,0,0,0,0|2,0,1]=4 1986 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [1,0,0,0,0,0|2,0,0]=3 1987 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [1,0,0,0,0,0|2,0,0]=3 1988 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [1,0,0,0,0,0|2,0,1]=4 1989 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [1,0,0,0,0,0|2,0,1]=4 1990 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [1,0,0,0,0,0|2,0,1]=4 1991 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [1,0,0,0,0,0|3,0,0]=4 1992 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [1,0,0,0,0,0|2,0,0]=3 1993 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [1,0,0,0,0,0|2,0,0]=3 1994 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [1,0,0,0,0,0|2,0,0]=3 1995 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [1,0,0,0,0,0|2,0,0]=3 1996 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [1,0,0,0,0,0|2,0,0]=3 1997 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [1,0,0,0,0,0|2,0,0]=3 1998 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [1,0,0,0,0,0|2,0,0]=3 1999 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [1,0,0,0,0,0|2,0,0]=3 2000 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [1,0,0,0,0,0|2,0,1]=4 2001 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [1,0,0,0,0,0|2,0,1]=4 2002 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [1,0,0,0,0,0|3,0,0]=4 2003 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [1,0,0,0,0,0|2,0,0]=3 2004 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [1,0,0,0,0,0|2,0,0]=3 2005 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [1,0,0,0,0,0|2,0,1]=4 2006 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [1,0,0,0,0,0|3,0,0]=4 2007 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [1,0,0,0,0,0|2,0,0]=3 2008 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [1,0,0,0,0,0|2,0,0]=3 2009 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [1,0,0,0,0,0|2,0,0]=3 2010 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [1,0,0,0,0,0|2,0,1]=4 2011 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [1,0,0,0,0,0|2,0,1]=4 2012 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [1,0,0,0,0,0|3,0,0]=4 2013 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [1,0,0,0,0,0|3,0,0]=4 2014 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [1,0,0,0,0,0|3,0,0]=4 2015 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [1,0,0,0,0,0|3,0,0]=4 2016 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [1,0,0,0,0,0|3,0,0]=4 2017 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [1,0,0,0,0,0|3,0,0]=4 2018 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [1,0,0,0,0,0|3,0,0]=4 2019 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [1,0,0,0,0,0|2,0,0]=3 2020 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [1,0,0,0,0,0|2,0,0]=3 2021 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [1,0,0,0,0,0|2,0,0]=3 2022 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [1,0,0,0,0,0|2,0,0]=3 2023 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [1,0,0,0,0,0|2,0,0]=3 2024 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [1,0,0,0,0,0|2,0,0]=3 2025 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [1,0,0,0,0,0|2,0,1]=4 2026 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [1,0,0,0,0,0|2,0,1]=4 2027 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [1,0,0,0,0,0|2,0,1]=4 2028 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [1,0,0,0,0,0|3,0,0]=4 2029 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [1,0,0,0,0,0|3,0,0]=4 2030 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [1,0,0,0,0,0|3,0,0]=4 2031 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [1,0,0,0,0,0|3,0,0]=4 2032 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [1,0,0,0,0,0|3,0,0]=4 2033 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [1,0,0,0,0,0|3,0,0]=4 2034 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [1,0,0,0,0,0|3,0,0]=4 2035 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [1,0,0,0,0,0|3,0,0]=4 2036 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [1,0,0,0,0,0|3,0,0]=4 2037 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [1,0,0,0,0,0|2,0,0]=3 2038 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [1,0,0,0,0,0|2,0,0]=3 2039 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [1,0,0,0,0,0|2,0,1]=4 2040 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [1,0,0,0,0,0|3,0,0]=4 2041 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [1,0,0,0,0,0|3,0,0]=4 2042 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [1,0,0,0,0,0|3,0,0]=4 2043 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [1,0,0,0,0,0|3,0,0]=4 2044 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [1,0,0,0,0,0|2,0,1]=4 2045 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [1,0,0,0,0,0|2,0,1]=4 2046 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [1,0,0,0,0,0|2,0,0]=3 2047 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [1,0,0,0,0,0|2,0,0]=3 2048 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [1,0,0,0,0,0|3,0,0]=4 2049 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [1,0,0,0,0,0|3,0,0]=4 2050 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [1,0,0,0,0,0|3,0,0]=4 2051 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [1,0,0,0,0,0|3,0,0]=4 2052 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [1,0,0,0,0,0|3,0,0]=4 2053 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [1,0,0,0,0,0|3,0,0]=4 2054 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [1,0,0,0,0,0|2,0,0]=3 2055 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [1,0,0,0,0,0|2,0,1]=4 2056 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [1,0,0,0,0,0|2,0,1]=4 2057 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [1,0,0,0,0,0|2,0,0]=3 2058 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [1,0,0,0,0,0|2,0,0]=3 2059 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [1,0,0,0,0,0|2,0,0]=3 2060 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [1,0,0,0,0,0|2,0,0]=3 2061 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [1,0,0,0,0,0|2,0,1]=4 2062 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [1,0,0,0,0,0|2,0,1]=4 2063 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [1,0,0,0,0,0|3,0,0]=4 2064 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [1,0,0,0,0,0|3,0,0]=4 2065 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [1,0,0,0,0,0|3,0,0]=4 2066 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [1,0,0,0,0,0|3,0,0]=4 2067 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [1,0,0,0,0,0|3,0,0]=4 2068 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [1,0,0,0,0,0|3,0,0]=4 2069 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [1,0,0,0,0,0|3,0,0]=4 2070 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [1,0,0,0,0,0|2,0,1]=4 2071 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [1,0,0,0,0,0|2,0,1]=4 2072 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [1,0,0,0,0,0|2,0,0]=3 2073 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [1,0,0,0,0,0|2,0,0]=3 2074 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [1,0,0,0,0,0|3,0,0]=4 2075 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [1,0,0,0,0,0|3,0,0]=4 2076 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [1,0,0,0,0,0|3,0,0]=4 2077 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [1,0,0,0,0,0|3,0,0]=4 2078 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [1,0,0,0,0,0|3,0,0]=4 2079 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [1,0,0,0,0,0|3,0,0]=4 2080 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [1,0,0,0,0,0|2,0,1]=4 2081 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [1,0,0,0,0,0|2,0,0]=3 2082 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [1,0,0,0,0,0|3,0,0]=4 2083 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [1,0,0,0,0,0|3,0,0]=4 2084 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [1,0,0,0,0,0|3,0,0]=4 2085 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [1,0,0,0,0,0|2,0,1]=4 2086 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [1,0,0,0,0,0|2,0,1]=4 2087 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [1,0,0,0,0,0|2,0,0]=3 2088 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [1,0,0,0,0,0|2,0,0]=3 2089 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [1,0,0,0,0,0|2,0,0]=3 2090 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [1,0,0,0,0,0|2,0,0]=3 2091 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [1,0,0,0,0,0|1,0,1]=3 2092 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [1,0,0,0,0,0|3,0,0]=4 2093 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [1,0,0,0,0,0|3,0,0]=4 2094 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [1,0,0,0,0,0|3,0,0]=4 2095 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [1,0,0,0,0,0|3,0,0]=4 2096 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [1,0,0,0,0,0|3,0,0]=4 2097 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [1,0,0,0,0,0|3,0,0]=4 2098 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [1,0,0,0,0,0|2,0,1]=4 2099 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [1,0,0,0,0,0|2,0,1]=4 2100 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [1,0,0,0,0,0|2,0,0]=3 2101 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [1,0,0,0,0,0|2,0,0]=3 2102 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [1,0,0,0,0,0|3,0,0]=4 2103 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [1,0,0,0,0,0|3,0,0]=4 2104 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [1,0,0,0,0,0|3,0,0]=4 2105 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [1,0,0,0,0,0|3,0,0]=4 2106 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [1,0,0,0,0,0|2,0,1]=4 2107 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [1,0,0,0,0,0|3,0,0]=4 2108 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [1,0,0,0,0,0|3,0,0]=4 2109 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [1,0,0,0,0,0|3,0,0]=4 2110 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [1,0,0,0,0,0|2,0,1]=4 2111 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [1,0,0,0,0,0|2,0,1]=4 2112 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [1,0,0,0,0,0|3,0,0]=4 2113 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [1,0,0,0,0,0|3,0,0]=4 2114 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [1,0,0,0,0,0|3,0,0]=4 2115 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [1,0,0,0,0,0|3,0,0]=4 2116 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [1,0,0,0,0,0|3,0,0]=4 2117 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [1,0,0,0,0,0|3,0,0]=4 2118 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [1,0,0,0,0,0|2,0,1]=4 2119 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [1,0,0,0,0,0|2,0,1]=4 2120 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [1,0,0,0,0,0|3,0,0]=4 2121 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [1,0,0,0,0,0|3,0,0]=4 2122 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [1,0,0,0,0,0|3,0,0]=4 2123 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [1,0,0,0,0,0|3,0,0]=4 2124 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [1,0,0,0,0,0|3,0,0]=4 2125 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [1,0,0,0,0,0|3,0,0]=4 2126 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [1,0,0,0,0,0|3,0,0]=4 2127 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [1,0,0,0,0,0|3,0,0]=4 2128 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [1,0,0,0,0,0|3,0,0]=4 2129 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [1,0,0,0,0,0|3,0,0]=4 2130 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [1,0,0,0,0,0|3,0,0]=4 2131 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [1,0,0,0,0,0|3,0,0]=4 2132 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [1,0,0,0,0,0|3,0,0]=4 2133 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [1,0,0,0,0,0|3,0,0]=4 2134 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [1,0,0,0,0,0|3,0,0]=4 2135 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [1,0,0,0,0,0|3,0,0]=4 2136 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [1,0,0,0,0,0|3,0,0]=4 2137 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [1,0,0,0,0,0|3,0,0]=4 2138 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [1,0,0,0,0,0|3,0,0]=4 2139 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [1,0,0,0,0,0|3,0,0]=4 2140 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [1,0,0,0,0,0|3,0,0]=4 2141 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [1,0,0,0,0,0|2,0,1]=4 2142 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [1,0,0,0,0,0|3,0,0]=4 2143 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [1,0,0,0,0,0|3,0,0]=4 2144 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [1,0,0,0,0,0|3,0,0]=4 2145 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [1,0,0,0,0,0|3,0,0]=4 2146 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [1,0,0,0,0,0|3,0,0]=4 2147 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [1,0,0,0,0,0|3,0,0]=4 2148 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [1,0,0,0,0,0|3,0,0]=4 2149 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [1,0,0,0,0,0|2,0,0]=3 2150 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [1,0,0,0,0,0|2,0,0]=3 2151 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [1,0,0,0,0,0|2,0,0]=3 2152 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [1,0,0,0,0,0|2,0,0]=3 2153 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [1,0,0,0,0,0|3,0,0]=4 2154 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [1,0,0,0,0,0|3,0,0]=4 2155 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [1,0,0,0,0,0|3,0,0]=4 2156 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [1,0,0,0,0,0|3,0,0]=4 2157 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [1,0,0,0,0,0|3,0,0]=4 2158 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [1,0,0,0,0,0|3,0,0]=4 2159 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [1,0,0,0,0,0|3,0,0]=4 2160 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [1,0,0,0,0,0|3,0,0]=4 2161 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [1,0,0,0,0,0|3,0,0]=4 2162 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [1,0,0,0,0,0|3,0,0]=4 2163 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [1,0,0,0,0,0|3,0,0]=4 2164 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [1,0,0,0,0,0|3,0,0]=4 2165 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [1,0,0,0,0,0|3,0,0]=4 2166 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 2167 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 2168 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [1,0,0,0,0,0|3,0,0]=4 2169 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [1,0,0,0,0,0|3,0,0]=4 2170 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 2171 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 2172 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [1,0,0,0,0,0|3,0,0]=4 2173 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [1,0,0,0,0,0|3,0,0]=4 2174 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [1,0,0,0,0,0|3,0,0]=4 2175 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [1,0,0,0,0,0|3,0,0]=4 2176 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [1,0,0,0,0,0|3,0,0]=4 2177 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [1,0,0,0,0,0|3,0,0]=4 2178 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [1,0,0,0,0,0|3,0,0]=4 2179 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [1,0,0,0,0,0|3,0,0]=4 2180 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 2181 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [1,0,0,0,0,0|3,0,0]=4 2182 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [1,0,0,0,0,0|3,0,0]=4 2183 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [1,0,0,0,0,0|3,0,0]=4 2184 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [1,0,0,0,0,0|3,0,0]=4 2185 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [1,0,0,0,0,0|3,0,0]=4 2186 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [1,0,0,0,0,0|3,0,0]=4 2187 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [1,0,0,0,0,0|3,0,0]=4 2188 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [1,0,0,0,0,0|3,0,0]=4 2189 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 2190 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 2191 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 2192 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [1,0,0,0,0,0|3,0,0]=4 2193 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [1,0,0,0,0,0|3,0,0]=4 2194 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [1,0,0,0,0,0|3,0,0]=4 2195 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [1,0,0,0,0,0|3,0,0]=4 2196 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [1,0,0,0,0,0|3,0,0]=4 2197 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [1,0,0,0,0,0|3,0,0]=4 2198 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [1,0,0,0,0,0|3,0,0]=4 2199 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [1,0,0,0,0,0|3,0,0]=4 2200 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [1,0,0,0,0,0|3,0,0]=4 2201 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [1,0,0,0,0,0|3,0,0]=4 2202 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [1,0,0,0,0,0|3,0,0]=4 2203 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [1,0,0,0,0,0|3,0,0]=4 2204 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [1,0,0,0,0,0|3,0,0]=4 2205 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [1,0,0,0,0,0|3,0,0]=4 2206 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [1,0,0,0,0,0|3,0,0]=4 2207 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [1,0,0,0,0,0|3,0,0]=4 2208 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [1,0,0,0,0,0|3,0,0]=4 2209 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [1,0,0,0,0,0|3,0,0]=4 2210 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [1,0,0,0,0,0|3,0,0]=4 2211 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [1,0,0,0,0,0|3,0,0]=4 2212 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [1,0,0,0,0,0|3,0,0]=4 2213 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [1,0,0,0,0,0|2,0,1]=4 2214 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [1,0,0,0,0,0|3,0,0]=4 2215 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [1,0,0,0,0,0|3,0,0]=4 2216 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 2217 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [1,0,0,0,0,0|2,0,0]=3 2218 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [1,0,0,0,0,0|3,0,0]=4 2219 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [1,0,0,0,0,0|3,0,0]=4 2220 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [1,0,0,0,0,0|2,0,1]=4 2221 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [1,0,0,0,0,0|2,0,1]=4 2222 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [1,0,0,0,0,0|2,0,1]=4 2223 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [1,0,0,0,0,0|2,0,1]=4 2224 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [1,0,0,0,0,0|2,0,1]=4 2225 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [1,0,0,0,0,0|2,0,1]=4 2226 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [1,0,0,0,0,0|2,0,1]=4 2227 B17R0.38 C=C(C)CCOC(C)CCCCCCCCCC 34a_100011215000_100000730704 [0,1,0,0,0,0|3,0,0]=4 2228 B17R0.38 C=C(C)CCOC(C)CCCCCCCCCC 7a_100011215000_100000730704 [0,1,0,0,0,0|3,0,0]=4 2229 B17R0.38 C=CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011933949 [0,1,0,0,0,0|1,0,2]=4 2230 B17R0.38 CC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215641 [0,1,0,0,0,0|2,0,1]=4 2231 B17R0.38 CC(CCCC(=O)[O-])OCCCCCCCCO 7a_100000761597_100000033203 [0,1,0,0,0,0|2,0,1]=4 2232 B17R0.38 CCC#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_200000036426 [0,1,0,0,0,0|1,0,2]=4 2233 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [0,1,0,0,0,0|1,0,1]=3 2234 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210375_100102525003 [0,1,0,0,0,0|1,0,1]=3 2235 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210375_200000718107 [0,1,0,0,0,0|1,0,2]=4 2236 B17R0.38 CCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210319 [0,1,0,0,0,0|1,0,2]=4 2237 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210319 [0,1,0,0,0,0|2,0,1]=4 2238 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210375_100000189650 [0,1,0,0,0,0|2,0,1]=4 2239 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210319 [0,1,0,0,0,0|2,0,1]=4 2240 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210375_200000034859 [0,1,0,0,0,0|2,0,1]=4 2241 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210375_100009814007 [0,1,0,0,0,0|2,0,1]=4 2242 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210375_200011214921 [0,1,0,0,0,0|2,0,1]=4 2243 B17R0.38 CCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210319 [0,1,0,0,0,0|2,0,1]=4 2244 B17R0.38 CCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210319 [0,1,0,0,0,0|2,0,1]=4 2245 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210375 [0,1,0,0,0,0|2,0,1]=4 2246 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210375 [0,1,0,0,0,0|2,0,1]=4 2247 B17R0.38 CCCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_200011219864 [0,1,0,0,0,0|2,0,1]=4 2248 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)C 7a_100011215000_100000053229 [0,1,0,0,0,0|2,0,0]=3 2249 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)N 34a_100011215000_100000731001 [0,1,0,0,0,0|2,0,0]=3 2250 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)N 7a_100011215000_100000744528 [0,1,0,0,0,0|2,0,0]=3 2251 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 34a_100011215000_100012276601 [0,1,0,0,0,0|2,0,1]=4 2252 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 7a_100011215000_100012276601 [0,1,0,0,0,0|2,0,1]=4 2253 B17R0.38 CCCCCCCCCCC(C)OCOC(=O)C 34a_100011215000_100009813279 [0,1,0,0,0,0|3,0,0]=4 2254 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)C 269982a_100000207566_100011215641 [0,1,0,0,0,0|2,0,0]=3 2255 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)N 269982a_100000207566_100102525003 [0,1,0,0,0,0|2,0,0]=3 2256 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [0,1,0,0,0,0|1,0,0]=2 2257 B17R0.38 CCCCCCCCCCN(C)CCCC(C)O 2230a_100000207566_200000718107 [0,1,0,0,0,0|2,0,1]=4 2258 B17R0.38 CCCCCCCCCCN(C)CCCC(C)O 269982a_100000207566_200000718107 [0,1,0,0,0,0|2,0,1]=4 2259 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)C 2230a_100000207566_100000189650 [0,1,0,0,0,0|3,0,0]=4 2260 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)C 269982a_100000207566_100000189650 [0,1,0,0,0,0|3,0,0]=4 2261 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)N 2230a_100000207566_200000034859 [0,1,0,0,0,0|3,0,0]=4 2262 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)N 269982a_100000207566_200000034859 [0,1,0,0,0,0|3,0,0]=4 2263 B17R0.38 CCCCCCCCCCN(C)CCOC(=O)C 269982a_100000207566_100009814007 [0,1,0,0,0,0|3,0,0]=4 2264 B17R0.38 CCCCCCCCCCN(C)CCOC(=O)N 269982a_100000207566_200011214921 [0,1,0,0,0,0|3,0,0]=4 2265 B17R0.38 CCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210328 [0,1,0,0,0,0|1,0,1]=3 2266 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)C 1458a_100000759886_100011215641 [0,1,0,0,0,0|2,0,1]=4 2267 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)N 1458a_100000759886_100102525003 [0,1,0,0,0,0|2,0,1]=4 2268 B17R0.38 CN(CCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813782 [0,1,0,0,0,0|2,0,0]=3 2269 B17R0.38 NC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100102525003 [0,1,0,0,0,0|2,0,1]=4 2270 B17R0.43 C#CCCCCCCCCCCOCCC(=O)C 7a_100000054667_100000053229 [0,1,0,0,0,0|1,0,2]=4 2271 B17R0.43 C#CCCCCCCCCCCOCCC(=O)N 34a_100000054667_100000731001 [0,1,0,0,0,0|1,0,2]=4 2272 B17R0.43 C#CCCCCCCCCCCOCCC(=O)N 7a_100000054667_100000744528 [0,1,0,0,0,0|1,0,2]=4 2273 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 34a_100000034437_100000685027 [0,1,0,0,0,0|1,0,2]=4 2274 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 7a_100000034437_100011215641 [0,1,0,0,0,0|1,0,2]=4 2275 B17R0.43 C#CCCCCCCCCCOCCCC(=O)N 34a_100000034437_100102525003 [0,1,0,0,0,0|1,0,2]=4 2276 B17R0.43 C#CCCCCCCCCCOCCCC(=O)N 7a_100000034437_100102525003 [0,1,0,0,0,0|1,0,2]=4 2277 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 34a_100000065265_100009817362 [0,1,0,0,0,0|1,0,2]=4 2278 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 7a_100000065265_100000735457 [0,1,0,0,0,0|1,0,2]=4 2279 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 34a_100000054614_100009817443 [0,1,0,0,0,0|1,0,2]=4 2280 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100153394163 [0,1,0,0,0,0|1,0,2]=4 2281 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 7a_100000054614_100009817443 [0,1,0,0,0,0|1,0,2]=4 2282 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100153394163 [0,1,0,0,0,0|1,0,2]=4 2283 B17R0.43 C#CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100153394163 [0,1,0,0,0,0|0,0,3]=4 2284 B17R0.43 C#CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100153394163 [0,1,0,0,0,0|1,0,2]=4 2285 B17R0.43 C#CCCCCCCCSCCCCCC(=O)N 62a_100153394163_100009817443 [0,1,0,0,0,0|1,0,2]=4 2286 B17R0.43 C#CCCNCCCCCCCCCCC(=O)N 34a_100000755551_200010167045 [0,1,0,0,0,0|1,0,2]=4 2287 B17R0.43 C#CCCOCCCCCCCCCCC(=O)N 34a_100011215631_200010167045 [0,1,0,0,0,0|1,0,2]=4 2288 B17R0.43 C#CCCSCCCCCCCCCCC(=O)N 62a_100000688953_200010167045 [0,1,0,0,0,0|1,0,2]=4 2289 B17R0.43 C#CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000688953 [0,1,0,0,0,0|1,0,2]=4 2290 B17R0.43 C/C=C/COCCCCCCCCCCC(=O)N 34a_100016270725_200010167045 [0,1,0,0,0,0|1,0,2]=4 2291 B17R0.43 C/C=C/CSCCCCCCCCCCC(=O)N 62a_100102629194_200010167045 [0,1,0,0,0,0|1,0,2]=4 2292 B17R0.43 C/C=C/CSCCCCCCCCCCC(=O)N 62a_200010167045_100102629194 [0,1,0,0,0,0|1,0,2]=4 2293 B17R0.43 C=C(Br)CCOCCCCCCCCCCCO 34a_100009813270_100009812471 [0,1,0,0,0,0|3,0,0]=4 2294 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [0,1,0,0,0,0|2,0,0]=3 2295 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [0,1,0,0,0,0|2,0,0]=3 2296 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000730704 [0,1,0,0,0,0|3,0,0]=4 2297 B17R0.43 C=C(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000730704 [0,1,0,0,0,0|3,0,0]=4 2298 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [0,1,0,0,0,0|2,0,0]=3 2299 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [0,1,0,0,0,0|2,0,0]=3 2300 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [0,1,0,0,0,0|2,0,0]=3 2301 B17R0.43 C=C(C)CCOCCCCCCCCCCCO 34a_100000764851_100009812471 [0,1,0,0,0,0|3,0,0]=4 2302 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 34a_100009875440_100000730704 [0,1,0,0,0,0|3,0,0]=4 2303 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 7a_100009875440_100000730704 [0,1,0,0,0,0|3,0,0]=4 2304 B17R0.43 C=C(C)CCSCCCCCCCCCCCO 62a_100009812471_100000730704 [0,1,0,0,0,0|3,0,0]=4 2305 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [0,1,0,0,0,0|2,0,0]=3 2306 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [0,1,0,0,0,0|2,0,0]=3 2307 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000748629 [0,1,0,0,0,0|3,0,0]=4 2308 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 34a_100000066677_100000748629 [0,1,0,0,0,0|3,0,0]=4 2309 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 34a_100009813331_100000748629 [0,1,0,0,0,0|3,0,0]=4 2310 B17R0.43 C=C(C)COCCCCCCCCCCCCBr 7a_100009813331_100000748629 [0,1,0,0,0,0|3,0,0]=4 2311 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [0,1,0,0,0,0|2,0,0]=3 2312 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [0,1,0,0,0,0|2,0,0]=3 2313 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [0,1,0,0,0,0|2,0,0]=3 2314 B17R0.43 C=C(C)COCCCCCCCCCCCCN 34a_100000066677_100000748629 [0,1,0,0,0,0|3,0,0]=4 2315 B17R0.43 C=C(C)COCCCCCCCCCCCCO 34a_100000210245_100009813331 [0,1,0,0,0,0|3,0,0]=4 2316 B17R0.43 C=C(C)COCCSCCCCCCCCCC 34a_100011628728_100000748629 [0,1,0,0,0,0|3,0,0]=4 2317 B17R0.43 C=C(C)COCCSCCCCCCCCCC 7a_100011628728_100000748629 [0,1,0,0,0,0|3,0,0]=4 2318 B17R0.43 C=C(C)CSCCCCCCCCCCCCO 62a_100009813331_100000211660 [0,1,0,0,0,0|3,0,0]=4 2319 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [0,1,0,0,0,0|2,0,0]=3 2320 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [0,1,0,0,0,0|2,0,0]=3 2321 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 2230a_100000066677_100009893438 [0,1,0,0,0,0|3,0,0]=4 2322 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 34a_100000066677_100009893438 [0,1,0,0,0,0|3,0,0]=4 2323 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 34a_100009813331_100009893438 [0,1,0,0,0,0|3,0,0]=4 2324 B17R0.43 C=C(F)COCCCCCCCCCCCCBr 7a_100009813331_100000042424 [0,1,0,0,0,0|3,0,0]=4 2325 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [0,1,0,0,0,0|2,0,0]=3 2326 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [0,1,0,0,0,0|2,0,0]=3 2327 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [0,1,0,0,0,0|2,0,0]=3 2328 B17R0.43 C=C(F)COCCCCCCCCCCCCN 34a_100000066677_100009893438 [0,1,0,0,0,0|3,0,0]=4 2329 B17R0.43 C=C(F)COCCCCCCCCCCCCO 34a_200010262243_100009813331 [0,1,0,0,0,0|3,0,0]=4 2330 B17R0.43 C=C(F)COCCSCCCCCCCCCC 34a_100011628728_100009893438 [0,1,0,0,0,0|3,0,0]=4 2331 B17R0.43 C=C(F)COCCSCCCCCCCCCC 7a_100011628728_100000042424 [0,1,0,0,0,0|3,0,0]=4 2332 B17R0.43 C=C(F)CSCCCCCCCCCCCCO 62a_100009813331_100000042424 [0,1,0,0,0,0|3,0,0]=4 2333 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [0,1,0,0,0,0|1,0,1]=3 2334 B17R0.43 C=CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_102130925996 [0,1,0,0,0,0|1,0,2]=4 2335 B17R0.43 C=CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_102130925996 [0,1,0,0,0,0|0,0,2]=3 2336 B17R0.43 C=CCCCCCCCCCCCOCC(=O)C 34a_100000211253_102130925996 [0,1,0,0,0,0|1,0,2]=4 2337 B17R0.43 C=CCCCCCCCCCCCSCC(=O)N 62a_100000747473_102130925996 [0,1,0,0,0,0|1,0,2]=4 2338 B17R0.43 C=CCCCCCCCCCCCSCC(=O)N 62a_102130925996_100000747473 [0,1,0,0,0,0|1,0,2]=4 2339 B17R0.43 C=CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_102130925996 [0,1,0,0,0,0|0,0,3]=4 2340 B17R0.43 C=CCCCCCCCCCCCSCC(=O)[O-] 62a_102130925996_100020667443 [0,1,0,0,0,0|0,0,3]=4 2341 B17R0.43 C=CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011093070 [0,1,0,0,0,0|1,0,2]=4 2342 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011093070 [0,1,0,0,0,0|1,0,2]=4 2343 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011093070 [0,1,0,0,0,0|1,0,2]=4 2344 B17R0.43 C=CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011093070 [0,1,0,0,0,0|1,0,2]=4 2345 B17R0.43 C=CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011093070 [0,1,0,0,0,0|1,0,2]=4 2346 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011093070 [0,1,0,0,0,0|1,0,2]=4 2347 B17R0.43 C=CCCCCCCCCCCSCCC(=O)C 62a_100011093070_100000053229 [0,1,0,0,0,0|1,0,2]=4 2348 B17R0.43 C=CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011093070 [0,1,0,0,0,0|1,0,2]=4 2349 B17R0.43 C=CCCCCCCCCCCSCCC(=O)N 62a_100011093070_100000744528 [0,1,0,0,0,0|1,0,2]=4 2350 B17R0.43 C=CCCCCCCCCCNCCCC(=O)C 34a_100000081888_100000685027 [0,1,0,0,0,0|1,0,2]=4 2351 B17R0.43 C=CCCCCCCCCCNCCCC(=O)N 34a_100000081888_100102525003 [0,1,0,0,0,0|1,0,2]=4 2352 B17R0.43 C=CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100009814027 [0,1,0,0,0,0|1,0,2]=4 2353 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000038209_100000685027 [0,1,0,0,0,0|1,0,2]=4 2354 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100009814027 [0,1,0,0,0,0|1,0,2]=4 2355 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000038209_100011215641 [0,1,0,0,0,0|1,0,2]=4 2356 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100009814027 [0,1,0,0,0,0|1,0,2]=4 2357 B17R0.43 C=CCCCCCCCCCOCCCC(=O)N 34a_100000038209_100102525003 [0,1,0,0,0,0|1,0,2]=4 2358 B17R0.43 C=CCCCCCCCCCOCCCC(=O)N 7a_100000038209_100102525003 [0,1,0,0,0,0|1,0,2]=4 2359 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100009814027_100011215641 [0,1,0,0,0,0|1,0,2]=4 2360 B17R0.43 C=CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100009814027 [0,1,0,0,0,0|1,0,2]=4 2361 B17R0.43 C=CCCCCCCCCCSCCCC(=O)N 62a_100009814027_100102525003 [0,1,0,0,0,0|1,0,2]=4 2362 B17R0.43 C=CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100009814027 [0,1,0,0,0,0|1,0,2]=4 2363 B17R0.43 C=CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011933949 [0,1,0,0,0,0|1,0,2]=4 2364 B17R0.43 C=CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100011933949 [0,1,0,0,0,0|1,0,2]=4 2365 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 34a_100011215194_100009817362 [0,1,0,0,0,0|1,0,2]=4 2366 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 7a_100011215194_100000735457 [0,1,0,0,0,0|1,0,2]=4 2367 B17R0.43 C=CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011933949 [0,1,0,0,0,0|1,0,2]=4 2368 B17R0.43 C=CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100011933949 [0,1,0,0,0,0|1,0,2]=4 2369 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100011933949 [0,1,0,0,0,0|1,0,2]=4 2370 B17R0.43 C=CCCCCCCCCSCCCCC(=O)C 62a_100011933949_100000735457 [0,1,0,0,0,0|1,0,2]=4 2371 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100012355270 [0,1,0,0,0,0|1,0,2]=4 2372 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 34a_100000730831_100009817443 [0,1,0,0,0,0|1,0,2]=4 2373 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100012355270 [0,1,0,0,0,0|1,0,2]=4 2374 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 7a_100000730831_100009817443 [0,1,0,0,0,0|1,0,2]=4 2375 B17R0.43 C=CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012355270 [0,1,0,0,0,0|0,0,3]=4 2376 B17R0.43 C=CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100012355270 [0,1,0,0,0,0|1,0,2]=4 2377 B17R0.43 C=CCCCCCCCSCCCCCC(=O)N 62a_100012355270_100009817443 [0,1,0,0,0,0|1,0,2]=4 2378 B17R0.43 C=CCCNCCCCCCCCCCC(=O)N 2230a_100015191253_200010167045 [0,1,0,0,0,0|1,0,2]=4 2379 B17R0.43 C=CCCOCCCCCCCCCCC(=O)N 34a_100011205117_200010167045 [0,1,0,0,0,0|1,0,2]=4 2380 B17R0.43 C=CCCSCCCCCCCCCCC(=O)N 62a_100000754431_200010167045 [0,1,0,0,0,0|1,0,2]=4 2381 B17R0.43 C=CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000754431 [0,1,0,0,0,0|1,0,2]=4 2382 B17R0.43 CC#CCNCCCCCCCCCCC(=O)N 2230a_100000685387_200010167045 [0,1,0,0,0,0|1,0,2]=4 2383 B17R0.43 CC#CCNCCCCCCCCCCC(=O)N 34a_100000685387_200010167045 [0,1,0,0,0,0|1,0,2]=4 2384 B17R0.43 CC#CCOCCCCCCCCCCC(=O)N 34a_100000761923_200010167045 [0,1,0,0,0,0|1,0,2]=4 2385 B17R0.43 CC#CCSCCCCCCCCCCC(=O)N 62a_100000748600_200010167045 [0,1,0,0,0,0|1,0,2]=4 2386 B17R0.43 CC#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000748600 [0,1,0,0,0,0|1,0,2]=4 2387 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [0,1,0,0,0,0|1,0,0]=2 2388 B17R0.43 CC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100009817362 [0,1,0,0,0,0|2,0,0]=3 2389 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100009817362 [0,1,0,0,0,0|2,0,0]=3 2390 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000735457 [0,1,0,0,0,0|2,0,0]=3 2391 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100009817362 [0,1,0,0,0,0|2,0,0]=3 2392 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000735457 [0,1,0,0,0,0|2,0,0]=3 2393 B17R0.43 CC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100009817362 [0,1,0,0,0,0|2,0,0]=3 2394 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100000735457_100009813782 [0,1,0,0,0,0|2,0,0]=3 2395 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000735457 [0,1,0,0,0,0|2,0,0]=3 2396 B17R0.43 CC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000685027 [0,1,0,0,0,0|2,0,0]=3 2397 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000685027 [0,1,0,0,0,0|2,0,0]=3 2398 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011215641 [0,1,0,0,0,0|2,0,0]=3 2399 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000685027 [0,1,0,0,0,0|2,0,0]=3 2400 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011215641 [0,1,0,0,0,0|2,0,0]=3 2401 B17R0.43 CC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000685027 [0,1,0,0,0,0|2,0,0]=3 2402 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 34a_100000759063_100009813290 [0,1,0,0,0,0|2,0,0]=3 2403 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 7a_100000759063_100009813290 [0,1,0,0,0,0|2,0,0]=3 2404 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011215641 [0,1,0,0,0,0|2,0,0]=3 2405 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100011215641_200000033068 [0,1,0,0,0,0|2,0,0]=3 2406 B17R0.43 CC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000053229 [0,1,0,0,0,0|2,0,0]=3 2407 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 34a_100000759926_100009812471 [0,1,0,0,0,0|2,0,0]=3 2408 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 7a_100000759926_100009812471 [0,1,0,0,0,0|2,0,0]=3 2409 B17R0.43 CC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000053229 [0,1,0,0,0,0|2,0,0]=3 2410 B17R0.43 CC(=O)COCCCCCCCCCCCCO 34a_100000211253_100009813331 [0,1,0,0,0,0|2,0,0]=3 2411 B17R0.43 CC(=O)COCCCCCCOCCCCCO 34a_100000211253_200132310570 [0,1,0,0,0,0|3,0,0]=4 2412 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 2230a_200011996284_100015922095 [0,1,0,0,0,0|3,0,0]=4 2413 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 34a_200011996284_100015922095 [0,1,0,0,0,0|3,0,0]=4 2414 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 2230a_200011996284_100000766143 [0,1,0,0,0,0|3,0,0]=4 2415 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 34a_200011996284_100000766143 [0,1,0,0,0,0|3,0,0]=4 2416 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 2230a_200012022750_100000760002 [0,1,0,0,0,0|3,0,0]=4 2417 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 34a_200012022750_100000760002 [0,1,0,0,0,0|3,0,0]=4 2418 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 2230a_200011368371_100000033203 [0,1,0,0,0,0|3,0,0]=4 2419 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 34a_200011368371_100000033203 [0,1,0,0,0,0|3,0,0]=4 2420 B17R0.43 CC(=O)NCCCNCCCCCCCCCO 34a_100000736810_100009813782 [0,1,0,0,0,0|3,0,0]=4 2421 B17R0.43 CC(=O)NCCCOCCCCCCCCCO 34a_100000752032_100009813782 [0,1,0,0,0,0|3,0,0]=4 2422 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_100000189650 [0,1,0,0,0,0|3,0,0]=4 2423 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000209853_100009813290 [0,1,0,0,0,0|3,0,0]=4 2424 B17R0.43 CC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_100000189650 [0,1,0,0,0,0|3,0,0]=4 2425 B17R0.43 CC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_100000189650 [0,1,0,0,0,0|3,0,0]=4 2426 B17R0.43 CC(=O)NCCOCCCCCCCCCCO 34a_100000158858_100009813290 [0,1,0,0,0,0|3,0,0]=4 2427 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100000189650_200000033068 [0,1,0,0,0,0|3,0,0]=4 2428 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100009813290_100000189650 [0,1,0,0,0,0|3,0,0]=4 2429 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 2230a_100011996573_100009813381 [0,1,0,0,0,0|3,0,0]=4 2430 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 34a_100011996573_100000033007 [0,1,0,0,0,0|3,0,0]=4 2431 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 34a_100000760002_100000033007 [0,1,0,0,0,0|3,0,0]=4 2432 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 7a_100000760002_100000033007 [0,1,0,0,0,0|3,0,0]=4 2433 B17R0.43 CC(=O)OCCCCCOCCCCCCCN 34a_100011996573_100000033007 [0,1,0,0,0,0|3,0,0]=4 2434 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000033007_100000760002 [0,1,0,0,0,0|3,0,0]=4 2435 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000760002_100000033007 [0,1,0,0,0,0|3,0,0]=4 2436 B17R0.43 CC(=O)OCCCCNCCCCCCCCO 34a_102515433106_100000033659 [0,1,0,0,0,0|3,0,0]=4 2437 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 34a_100009813846_100000033659 [0,1,0,0,0,0|3,0,0]=4 2438 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 7a_100009813846_100000033659 [0,1,0,0,0,0|3,0,0]=4 2439 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 34a_100000033203_100000033659 [0,1,0,0,0,0|3,0,0]=4 2440 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 7a_100000033203_100000033659 [0,1,0,0,0,0|3,0,0]=4 2441 B17R0.43 CC(=O)OCCCCOCCCCCCCCN 34a_102515433106_100000033659 [0,1,0,0,0,0|3,0,0]=4 2442 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 34a_100000073216_100000033203 [0,1,0,0,0,0|3,0,0]=4 2443 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 7a_100000073216_100000033203 [0,1,0,0,0,0|3,0,0]=4 2444 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033203_100000033659 [0,1,0,0,0,0|3,0,0]=4 2445 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033659_100000033203 [0,1,0,0,0,0|3,0,0]=4 2446 B17R0.43 CC(=O)OCCCNCCCCCCCCCO 34a_100000078944_100000042594 [0,1,0,0,0,0|3,0,0]=4 2447 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 34a_100009813782_100000042594 [0,1,0,0,0,0|3,0,0]=4 2448 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 7a_100009813782_100000042594 [0,1,0,0,0,0|3,0,0]=4 2449 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 34a_100009868337_100000042594 [0,1,0,0,0,0|3,0,0]=4 2450 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 7a_100009868337_100000042594 [0,1,0,0,0,0|3,0,0]=4 2451 B17R0.43 CC(=O)OCCCOCCCCCCCCCN 34a_100000078944_100000042594 [0,1,0,0,0,0|3,0,0]=4 2452 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100000042594_100009813782 [0,1,0,0,0,0|3,0,0]=4 2453 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100009813782_100000042594 [0,1,0,0,0,0|3,0,0]=4 2454 B17R0.43 CC(=O)OCCNCCCCCCCCCCO 34a_100000066964_100009814007 [0,1,0,0,0,0|3,0,0]=4 2455 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_100009814007 [0,1,0,0,0,0|3,0,0]=4 2456 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_100009814007 [0,1,0,0,0,0|3,0,0]=4 2457 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_100009814007 [0,1,0,0,0,0|3,0,0]=4 2458 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_100009814007 [0,1,0,0,0,0|3,0,0]=4 2459 B17R0.43 CC(=O)OCCOCCCCCCCCCCN 34a_100000066964_100009814007 [0,1,0,0,0,0|3,0,0]=4 2460 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009813290_100009814007 [0,1,0,0,0,0|3,0,0]=4 2461 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009814007_200000033068 [0,1,0,0,0,0|3,0,0]=4 2462 B17R0.43 CC(=O)OCOCCCCCCCCCCCBr 34a_100009812471_100009813279 [0,1,0,0,0,0|3,0,0]=4 2463 B17R0.43 CC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000076356 [0,1,0,0,0,0|3,0,0]=4 2464 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100010140907_100015361967 [0,1,0,0,0,0|3,0,0]=4 2465 B17R0.43 CC(=O)SCCCCCCCCCCCSCF 62a_100015361967_100010140907 [0,1,0,0,0,0|3,0,0]=4 2466 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 2230a_102515433106_200010402107 [0,1,0,0,0,0|3,0,0]=4 2467 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 34a_102515433106_200010402107 [0,1,0,0,0,0|3,0,0]=4 2468 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 34a_100009813846_200010402107 [0,1,0,0,0,0|3,0,0]=4 2469 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 7a_100009813846_200010402107 [0,1,0,0,0,0|3,0,0]=4 2470 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 34a_100000033203_200010402107 [0,1,0,0,0,0|3,0,0]=4 2471 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 7a_100000033203_200010402107 [0,1,0,0,0,0|3,0,0]=4 2472 B17R0.43 CC(=O)SCCCCOCCCCCCCCN 34a_102515433106_200010402107 [0,1,0,0,0,0|3,0,0]=4 2473 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_100000033203_200010402107 [0,1,0,0,0,0|3,0,0]=4 2474 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_200010402107_100000033203 [0,1,0,0,0,0|3,0,0]=4 2475 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 2230a_100000078944_100000038929 [0,1,0,0,0,0|3,0,0]=4 2476 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 34a_100000078944_100000038929 [0,1,0,0,0,0|3,0,0]=4 2477 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 34a_100009813782_100000038929 [0,1,0,0,0,0|3,0,0]=4 2478 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 7a_100009813782_100000038929 [0,1,0,0,0,0|3,0,0]=4 2479 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 34a_100009868337_100000038929 [0,1,0,0,0,0|3,0,0]=4 2480 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 7a_100009868337_100000038929 [0,1,0,0,0,0|3,0,0]=4 2481 B17R0.43 CC(=O)SCCCOCCCCCCCCCN 34a_100000078944_100000038929 [0,1,0,0,0,0|3,0,0]=4 2482 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100000038929_100009813782 [0,1,0,0,0,0|3,0,0]=4 2483 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100009813782_100000038929 [0,1,0,0,0,0|3,0,0]=4 2484 B17R0.43 CC(O)CCCNCCCCCCCCCCO 2230a_100000066964_200000718107 [0,1,0,0,0,0|2,0,1]=4 2485 B17R0.43 CC(O)CCCNCCCCCCCCCCO 34a_100000066964_200000718107 [0,1,0,0,0,0|2,0,1]=4 2486 B17R0.43 CC(O)CCCOCCCCCCCCCCBr 34a_100009813290_200000718107 [0,1,0,0,0,0|2,0,1]=4 2487 B17R0.43 CC(O)CCCOCCCCCCCCCCBr 7a_100009813290_200000718107 [0,1,0,0,0,0|2,0,1]=4 2488 B17R0.43 CC(O)CCCOCCCCCCCCCCCl 34a_200000033068_200000718107 [0,1,0,0,0,0|2,0,1]=4 2489 B17R0.43 CC(O)CCCOCCCCCCCCCCCl 7a_200000033068_200000718107 [0,1,0,0,0,0|2,0,1]=4 2490 B17R0.43 CC(O)CCCOCCCCCCCCCCN 34a_100000066964_200000718107 [0,1,0,0,0,0|2,0,1]=4 2491 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_100009813290_200000718107 [0,1,0,0,0,0|2,0,1]=4 2492 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_200000718107_200000033068 [0,1,0,0,0,0|2,0,1]=4 2493 B17R0.43 CC(O)CCNCCCCCCCCCCCO 2230a_200000755665_100009812471 [0,1,0,0,0,0|2,0,1]=4 2494 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2495 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2496 B17R0.43 CC(O)CCSCCCCCCCCCCCO 62a_100009812471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2497 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000066677_100011218427 [0,1,0,0,0,0|2,0,1]=4 2498 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000210904_100009813331 [0,1,0,0,0,0|2,0,1]=4 2499 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000066677_100011218427 [0,1,0,0,0,0|2,0,1]=4 2500 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000210904_100009813331 [0,1,0,0,0,0|2,0,1]=4 2501 B17R0.43 CC(O)COCCCCCCCCCCCCBr 34a_100009813331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2502 B17R0.43 CC(O)COCCCCCCCCCCCCBr 7a_100009813331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2503 B17R0.43 CC(O)COCCCCCCCCCCCCN 34a_100000066677_100011218427 [0,1,0,0,0,0|2,0,1]=4 2504 B17R0.43 CC(O)CSCCCCCCCCCCCCO 62a_100009813331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2505 B17R0.43 CC/C=C\CCCCCCCNCCCC(=O)N 269862a_100000739312_200025770492 [0,1,0,0,0,0|1,0,2]=4 2506 B17R0.43 CC/C=C\CCCCCOCCCCCC(=O)N 34a_100016268722_100009817443 [0,1,0,0,0,0|1,0,2]=4 2507 B17R0.43 CC/C=C\CCCCCOCCCCCC(=O)N 7a_100016268722_100009817443 [0,1,0,0,0,0|1,0,2]=4 2508 B17R0.43 CC=CCSCCCCCCCCCCC(=O)N 62a_100000070051_200010167045 [0,1,0,0,0,0|1,0,2]=4 2509 B17R0.43 CC=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000070051 [0,1,0,0,0,0|1,0,2]=4 2510 B17R0.43 CCC#CCCCCCCCCOCCC(=O)C 7a_200000031908_100000053229 [0,1,0,0,0,0|1,0,2]=4 2511 B17R0.43 CCC#CCCCCCCCCOCCC(=O)N 34a_200000031908_100000731001 [0,1,0,0,0,0|1,0,2]=4 2512 B17R0.43 CCC#CCCCCCCCCOCCC(=O)N 7a_200000031908_100000744528 [0,1,0,0,0,0|1,0,2]=4 2513 B17R0.43 CCC#CCCCCCCNCCCCC(=O)N 34a_100000696515_200000036426 [0,1,0,0,0,0|1,0,2]=4 2514 B17R0.43 CCC#CCCCCCCNCCOCC(=O)O 269956a_100000700818_200000036426 [0,1,0,0,0,0|1,0,2]=4 2515 B17R0.43 CCC#CCCCCCCOCCCCC(=O)N 34a_100012022536_200000036426 [0,1,0,0,0,0|1,0,2]=4 2516 B17R0.43 CCC#CCCCCCCOCCCCC(=O)N 7a_100012022536_200000036426 [0,1,0,0,0,0|1,0,2]=4 2517 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_100000735457_200000036426 [0,1,0,0,0,0|1,0,2]=4 2518 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_200000036426_100000735457 [0,1,0,0,0,0|1,0,2]=4 2519 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 34a_200020645093_100009817362 [0,1,0,0,0,0|1,0,2]=4 2520 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 7a_200020645093_100000735457 [0,1,0,0,0,0|1,0,2]=4 2521 B17R0.43 CCCCC#CCCCCCCNOCC(=O)O 269956a_100000106656_200000043322 [0,1,0,0,0,0|1,0,2]=4 2522 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000043322 [0,1,0,0,0,0|1,0,2]=4 2523 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000043322 [0,1,0,0,0,0|1,0,2]=4 2524 B17R0.43 CCCCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000043322 [0,1,0,0,0,0|1,0,2]=4 2525 B17R0.43 CCCCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000043322 [0,1,0,0,0,0|1,0,2]=4 2526 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000043322 [0,1,0,0,0,0|1,0,2]=4 2527 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_200000043322_100000053229 [0,1,0,0,0,0|1,0,2]=4 2528 B17R0.43 CCCCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000043322 [0,1,0,0,0,0|1,0,2]=4 2529 B17R0.43 CCCCC#CCCCCCCSCCC(=O)N 62a_200000043322_100000744528 [0,1,0,0,0,0|1,0,2]=4 2530 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 34a_200000066234_100009817362 [0,1,0,0,0,0|1,0,2]=4 2531 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 7a_200000066234_100000735457 [0,1,0,0,0,0|1,0,2]=4 2532 B17R0.43 CCCCC#CCCCOCCCCCC(=O)N 34a_100000123541_200000047210 [0,1,0,0,0,0|1,0,2]=4 2533 B17R0.43 CCCCC#CCCCOCCCCCC(=O)N 7a_100000123541_200000047210 [0,1,0,0,0,0|1,0,2]=4 2534 B17R0.43 CCCCC#CCCCOCCCCCC(=O)[O-] 7a_100102619762_200000047210 [0,1,0,0,0,0|0,0,3]=4 2535 B17R0.43 CCCCC#CCCCSCCCCCC(=O)N 62a_100009817443_200000047210 [0,1,0,0,0,0|1,0,2]=4 2536 B17R0.43 CCCCC#CCCCSCCCCCC(=O)N 62a_200000047210_100009817443 [0,1,0,0,0,0|1,0,2]=4 2537 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 34a_100020655193_100009817362 [0,1,0,0,0,0|1,0,2]=4 2538 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 7a_100020655193_100000735457 [0,1,0,0,0,0|1,0,2]=4 2539 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 34a_100016277358_100009817443 [0,1,0,0,0,0|1,0,2]=4 2540 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 7a_100016277358_100009817443 [0,1,0,0,0,0|1,0,2]=4 2541 B17R0.43 CCCCCC#CCCOCCCCCC(=O)N 34a_200000042877_100009817443 [0,1,0,0,0,0|1,0,2]=4 2542 B17R0.43 CCCCCC#CCCOCCCCCC(=O)N 7a_200000042877_100009817443 [0,1,0,0,0,0|1,0,2]=4 2543 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 34a_200016276170_100009817443 [0,1,0,0,0,0|1,0,2]=4 2544 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 7a_200016276170_100009817443 [0,1,0,0,0,0|1,0,2]=4 2545 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [0,1,0,0,0,0|1,0,1]=3 2546 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [0,1,0,0,0,0|1,0,1]=3 2547 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 34a_200000033163_100009817362 [0,1,0,0,0,0|1,0,2]=4 2548 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 7a_200000033163_100000735457 [0,1,0,0,0,0|1,0,2]=4 2549 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 34a_200000037284_100009817443 [0,1,0,0,0,0|1,0,2]=4 2550 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 7a_200000037284_100009817443 [0,1,0,0,0,0|1,0,2]=4 2551 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 34a_200000061759_100009817362 [0,1,0,0,0,0|1,0,2]=4 2552 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 7a_200000061759_100000735457 [0,1,0,0,0,0|1,0,2]=4 2553 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 34a_200020667288_100000685027 [0,1,0,0,0,0|1,0,2]=4 2554 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 7a_200020667288_100011215641 [0,1,0,0,0,0|1,0,2]=4 2555 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 34a_200020667288_100102525003 [0,1,0,0,0,0|1,0,2]=4 2556 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 7a_200020667288_100102525003 [0,1,0,0,0,0|1,0,2]=4 2557 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,1,0,0,0,0|1,0,2]=4 2558 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 34a_100015232335_100000731001 [0,1,0,0,0,0|1,0,2]=4 2559 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 7a_100015232335_100000744528 [0,1,0,0,0,0|1,0,2]=4 2560 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 34a_200025761149_100000187820 [0,1,0,0,0,0|1,0,2]=4 2561 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 7a_200025761149_100000187820 [0,1,0,0,0,0|1,0,2]=4 2562 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)[O-] 34a_200025761149_100020667443 [0,1,0,0,0,0|0,0,3]=4 2563 B17R0.43 CCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_200011215488 [0,1,0,0,0,0|2,0,1]=4 2564 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [0,1,0,0,0,0|3,0,0]=4 2565 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [0,1,0,0,0,0|3,0,0]=4 2566 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [0,1,0,0,0,0|3,0,0]=4 2567 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,1,0,0,0,0|1,0,0]=2 2568 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,1,0,0,0,0|1,0,0]=2 2569 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,1,0,0,0,0|1,0,0]=2 2570 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,1,0,0,0,0|1,0,0]=2 2571 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100011217771_100000210206 [0,1,0,0,0,0|2,0,1]=4 2572 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215471 [0,1,0,0,0,0|2,0,1]=4 2573 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100011217771_100000210206 [0,1,0,0,0,0|2,0,1]=4 2574 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100138425928_100011215471 [0,1,0,0,0,0|2,0,1]=4 2575 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [0,1,0,0,0,0|1,0,0]=2 2576 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [0,1,0,0,0,0|1,0,0]=2 2577 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [0,1,0,0,0,0|1,0,0]=2 2578 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,1,0,0,0,0|0,0,0]=1 2579 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [0,1,0,0,0,0|0,0,1]=2 2580 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100000210953_100000210684 [0,1,0,0,0,0|2,0,1]=4 2581 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100011215765_100000210760 [0,1,0,0,0,0|2,0,1]=4 2582 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100000210953_200011215488 [0,1,0,0,0,0|2,0,1]=4 2583 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100011215765_100000210432 [0,1,0,0,0,0|2,0,1]=4 2584 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100000210953_100000210684 [0,1,0,0,0,0|2,0,1]=4 2585 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100011215765_100000210624 [0,1,0,0,0,0|2,0,1]=4 2586 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [0,1,0,0,0,0|1,0,1]=3 2587 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [0,1,0,0,0,0|1,0,1]=3 2588 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [0,1,0,0,0,0|1,0,1]=3 2589 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [0,1,0,0,0,0|1,0,1]=3 2590 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [0,1,0,0,0,0|1,0,1]=3 2591 B17R0.43 CCCCCCCCCCCCCNCC(F)F 2230a_100011215765_100011934356 [0,1,0,0,0,0|2,0,1]=4 2592 B17R0.43 CCCCCCCCCCCCCNCC(F)F 270004a_100000765723_200011215488 [0,1,0,0,0,0|2,0,1]=4 2593 B17R0.43 CCCCCCCCCCCCCNCC(F)F 34a_100000765723_100000210684 [0,1,0,0,0,0|2,0,1]=4 2594 B17R0.43 CCCCCCCCCCCCCNCC(F)F 34a_100011215765_100011934356 [0,1,0,0,0,0|2,0,1]=4 2595 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [0,1,0,0,0,0|1,0,1]=3 2596 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [0,1,0,0,0,0|1,0,1]=3 2597 B17R0.43 CCCCCCCCCCCCCNC[N+](=O)[O-] 34a_100011215765_100000761209 [0,1,0,0,0,0|1,0,1]=3 2598 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [0,1,0,0,0,0|1,0,0]=2 2599 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [0,1,0,0,0,0|1,0,0]=2 2600 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [0,1,0,0,0,0|1,0,0]=2 2601 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [0,1,0,0,0,0|0,0,1]=2 2602 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000185773_100000210624 [0,1,0,0,0,0|2,0,1]=4 2603 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000210257_100000210684 [0,1,0,0,0,0|2,0,1]=4 2604 B17R0.43 CCCCCCCCCCCCCOCC(C)C 7a_100000185773_100000210760 [0,1,0,0,0,0|2,0,1]=4 2605 B17R0.43 CCCCCCCCCCCCCOCC(C)F 34a_100015925927_100000210684 [0,1,0,0,0,0|2,0,1]=4 2606 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [0,1,0,0,0,0|1,0,1]=3 2607 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [0,1,0,0,0,0|1,0,1]=3 2608 B17R0.43 CCCCCCCCCCCCCOCC(F)F 34a_100000185773_100011934356 [0,1,0,0,0,0|2,0,1]=4 2609 B17R0.43 CCCCCCCCCCCCCOCC(F)F 34a_100000743014_100000210684 [0,1,0,0,0,0|2,0,1]=4 2610 B17R0.43 CCCCCCCCCCCCCOCC(F)F 7a_100000185773_100011934356 [0,1,0,0,0,0|2,0,1]=4 2611 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210684 [0,1,0,0,0,0|2,0,1]=4 2612 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210684 [0,1,0,0,0,0|2,0,1]=4 2613 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [0,1,0,0,0,0|1,0,1]=3 2614 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [0,1,0,0,0,0|1,0,1]=3 2615 B17R0.43 CCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000185773_100000761209 [0,1,0,0,0,0|1,0,1]=3 2616 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [0,1,0,0,0,0|1,0,0]=2 2617 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [0,1,0,0,0,0|0,0,1]=2 2618 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [0,1,0,0,0,0|1,0,1]=3 2619 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [0,1,0,0,0,0|1,0,1]=3 2620 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 2230a_100000210451_100000761012 [0,1,0,0,0,0|2,0,1]=4 2621 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_100011218549 [0,1,0,0,0,0|2,0,1]=4 2622 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000210451_100000761012 [0,1,0,0,0,0|2,0,1]=4 2623 B17R0.43 CCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000759014 [0,1,0,0,0,0|2,0,1]=4 2624 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [0,1,0,0,0,0|1,0,0]=2 2625 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [0,1,0,0,0,0|1,0,0]=2 2626 B17R0.43 CCCCCCCCCCCCNCCC(C)C 2230a_100000210451_100000210312 [0,1,0,0,0,0|2,0,1]=4 2627 B17R0.43 CCCCCCCCCCCCNCCC(C)C 269862a_100000210451_100000185833 [0,1,0,0,0,0|2,0,1]=4 2628 B17R0.43 CCCCCCCCCCCCNCCC(C)C 270004a_100000210545_100011218549 [0,1,0,0,0,0|2,0,1]=4 2629 B17R0.43 CCCCCCCCCCCCNCCC(C)C 34a_100000210451_100000210312 [0,1,0,0,0,0|2,0,1]=4 2630 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [0,1,0,0,0,0|1,0,1]=3 2631 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [0,1,0,0,0,0|1,0,1]=3 2632 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [0,1,0,0,0,0|1,0,1]=3 2633 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [0,1,0,0,0,0|1,0,1]=3 2634 B17R0.43 CCCCCCCCCCCCNCCN(C)C 270004a_100000210585_100011218549 [0,1,0,0,0,0|3,0,0]=4 2635 B17R0.43 CCCCCCCCCCCCNCOC(=O)C 34a_100000210451_100009813279 [0,1,0,0,0,0|2,0,0]=3 2636 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,1,0,0,0,0|1,0,0]=2 2637 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [0,1,0,0,0,0|2,0,1]=4 2638 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [0,1,0,0,0,0|2,0,1]=4 2639 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [0,1,0,0,0,0|2,0,1]=4 2640 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [0,1,0,0,0,0|1,0,0]=2 2641 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [0,1,0,0,0,0|1,0,0]=2 2642 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [0,1,0,0,0,0|1,0,0]=2 2643 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [0,1,0,0,0,0|1,0,0]=2 2644 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [0,1,0,0,0,0|1,0,0]=2 2645 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [0,1,0,0,0,0|1,0,0]=2 2646 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [0,1,0,0,0,0|1,0,0]=2 2647 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [0,1,0,0,0,0|2,0,1]=4 2648 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [0,1,0,0,0,0|2,0,1]=4 2649 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [0,1,0,0,0,0|2,0,1]=4 2650 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [0,1,0,0,0,0|2,0,1]=4 2651 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [0,1,0,0,0,0|1,0,1]=3 2652 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [0,1,0,0,0,0|1,0,1]=3 2653 B17R0.43 CCCCCCCCCCCCOCCC(F)F 34a_100103093639_100000759014 [0,1,0,0,0,0|2,0,1]=4 2654 B17R0.43 CCCCCCCCCCCCOCCN(C)C 7a_100000210810_100000755713 [0,1,0,0,0,0|3,0,0]=4 2655 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [0,1,0,0,0,0|2,0,1]=4 2656 B17R0.43 CCCCCCCCCCCCOCOC(=O)C 34a_100000210810_100009813279 [0,1,0,0,0,0|2,0,0]=3 2657 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [0,1,0,0,0,0|1,0,0]=2 2658 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [0,1,0,0,0,0|1,0,0]=2 2659 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [0,1,0,0,0,0|1,0,0]=2 2660 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [0,1,0,0,0,0|1,0,0]=2 2661 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [0,1,0,0,0,0|1,0,1]=3 2662 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [0,1,0,0,0,0|2,0,0]=3 2663 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 2230a_200011215754_100011217483 [0,1,0,0,0,0|2,0,1]=4 2664 B17R0.43 CCCCCCCCCCCNCCC=C(C)C 34a_200011215754_100011217483 [0,1,0,0,0,0|2,0,1]=4 2665 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 2230a_200011215754_200009816681 [0,1,0,0,0,0|2,0,1]=4 2666 B17R0.43 CCCCCCCCCCCNCCC=C(F)F 34a_200011215754_200009816681 [0,1,0,0,0,0|2,0,1]=4 2667 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [0,1,0,0,0,0|1,0,0]=2 2668 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [0,1,0,0,0,0|1,0,0]=2 2669 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [0,1,0,0,0,0|1,0,0]=2 2670 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200000737386_100011215454 [0,1,0,0,0,0|2,0,1]=4 2671 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200011215754_100011214892 [0,1,0,0,0,0|2,0,1]=4 2672 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200000737386_100011215454 [0,1,0,0,0,0|2,0,1]=4 2673 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200011215754_100011214892 [0,1,0,0,0,0|2,0,1]=4 2674 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [0,1,0,0,0,0|1,0,1]=3 2675 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [0,1,0,0,0,0|1,0,1]=3 2676 B17R0.43 CCCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011215454 [0,1,0,0,0,0|2,0,0]=3 2677 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215454 [0,1,0,0,0,0|2,0,0]=3 2678 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_200011215754_100000189650 [0,1,0,0,0,0|2,0,0]=3 2679 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 2230a_200011215754_200000034859 [0,1,0,0,0,0|2,0,0]=3 2680 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100011215454 [0,1,0,0,0,0|2,0,0]=3 2681 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [0,1,0,0,0,0|2,0,0]=3 2682 B17R0.43 CCCCCCCCCCCNCCOC(=O)N 34a_200011215754_200011214921 [0,1,0,0,0,0|2,0,0]=3 2683 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 34a_100000210809_100011217483 [0,1,0,0,0,0|2,0,1]=4 2684 B17R0.43 CCCCCCCCCCCOCCC=C(C)C 7a_100000210809_100011217483 [0,1,0,0,0,0|2,0,1]=4 2685 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 34a_100000210809_200009816681 [0,1,0,0,0,0|2,0,1]=4 2686 B17R0.43 CCCCCCCCCCCOCCC=C(F)F 7a_100000210809_200009816681 [0,1,0,0,0,0|2,0,1]=4 2687 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [0,1,0,0,0,0|1,0,0]=2 2688 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [0,1,0,0,0,0|1,0,0]=2 2689 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [0,1,0,0,0,0|1,0,0]=2 2690 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [0,1,0,0,0,0|1,0,0]=2 2691 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [0,1,0,0,0,0|1,0,0]=2 2692 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [0,1,0,0,0,0|1,0,0]=2 2693 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210774_100011215454 [0,1,0,0,0,0|2,0,1]=4 2694 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210809_100011214892 [0,1,0,0,0,0|2,0,1]=4 2695 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210774_100011215454 [0,1,0,0,0,0|2,0,1]=4 2696 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210809_100011214892 [0,1,0,0,0,0|2,0,1]=4 2697 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [0,1,0,0,0,0|1,0,1]=3 2698 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [0,1,0,0,0,0|1,0,1]=3 2699 B17R0.43 CCCCCCCCCCCOCCCN(C)C 7a_100000210809_100000757444 [0,1,0,0,0,0|3,0,0]=4 2700 B17R0.43 CCCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215454 [0,1,0,0,0,0|1,0,1]=3 2701 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100011215454 [0,1,0,0,0,0|2,0,0]=3 2702 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 7a_100000210809_100000189650 [0,1,0,0,0,0|2,0,0]=3 2703 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100011215454 [0,1,0,0,0,0|2,0,0]=3 2704 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 7a_100000210809_200000034859 [0,1,0,0,0,0|2,0,0]=3 2705 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [0,1,0,0,0,0|2,0,0]=3 2706 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [0,1,0,0,0,0|2,0,0]=3 2707 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 34a_100000210809_200011214921 [0,1,0,0,0,0|2,0,0]=3 2708 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000210809_200011214921 [0,1,0,0,0,0|2,0,0]=3 2709 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100011215454 [0,1,0,0,0,0|2,0,0]=3 2710 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [0,1,0,0,0,0|1,0,0]=2 2711 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [0,1,0,0,0,0|1,0,0]=2 2712 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [0,1,0,0,0,0|1,0,1]=3 2713 B17R0.43 CCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100011215454 [0,1,0,0,0,0|2,0,0]=3 2714 B17R0.43 CCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100011215454 [0,1,0,0,0,0|2,0,0]=3 2715 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [0,1,0,0,0,0|2,0,0]=3 2716 B17R0.43 CCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100011215454 [0,1,0,0,0,0|2,0,0]=3 2717 B17R0.43 CCCCCCCCCCNCCCCB(O)O 2230a_100000684558_200009817182 [0,1,0,0,0,0|1,0,1]=3 2718 B17R0.43 CCCCCCCCCCNCCCCB(O)O 34a_100000684558_200009817182 [0,1,0,0,0,0|1,0,1]=3 2719 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [0,1,0,0,0,0|1,0,0]=2 2720 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [0,1,0,0,0,0|1,0,0]=2 2721 B17R0.43 CCCCCCCCCCNCCCCC(C)C 2230a_100000684558_100011216152 [0,1,0,0,0,0|2,0,1]=4 2722 B17R0.43 CCCCCCCCCCNCCCCC(C)C 34a_100000684558_100011216152 [0,1,0,0,0,0|2,0,1]=4 2723 B17R0.43 CCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210320 [0,1,0,0,0,0|2,0,0]=3 2724 B17R0.43 CCCCCCCCCCNCCCOC(=O)C 34a_100000684558_100000042594 [0,1,0,0,0,0|2,0,0]=3 2725 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 2230a_100000684558_200135323944 [0,1,0,0,0,0|2,1,0]=4 2726 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 34a_100000684558_200135323944 [0,1,0,0,0,0|2,1,0]=4 2727 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 2230a_100000684558_100000038929 [0,1,0,0,0,0|2,0,0]=3 2728 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 34a_100000684558_100000038929 [0,1,0,0,0,0|2,0,0]=3 2729 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 2230a_100000684558_100000076697 [0,1,0,0,0,0|2,0,0]=3 2730 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 34a_100000684558_100000076697 [0,1,0,0,0,0|2,0,0]=3 2731 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,1,0,0,0,0|1,0,0]=2 2732 B17R0.43 CCCCCCCCCCOCCCCB(O)O 34a_100000210711_200009817182 [0,1,0,0,0,0|1,0,1]=3 2733 B17R0.43 CCCCCCCCCCOCCCCB(O)O 7a_100000210711_200009817182 [0,1,0,0,0,0|1,0,1]=3 2734 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [0,1,0,0,0,0|1,0,0]=2 2735 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [0,1,0,0,0,0|1,0,0]=2 2736 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [0,1,0,0,0,0|1,0,0]=2 2737 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [0,1,0,0,0,0|1,0,0]=2 2738 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100000210711_100011216152 [0,1,0,0,0,0|2,0,1]=4 2739 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100011214890_100000210320 [0,1,0,0,0,0|2,0,1]=4 2740 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100000210711_100011216152 [0,1,0,0,0,0|2,0,1]=4 2741 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210320 [0,1,0,0,0,0|2,0,1]=4 2742 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210320 [0,1,0,0,0,0|1,0,1]=3 2743 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210320 [0,1,0,0,0,0|1,0,1]=3 2744 B17R0.43 CCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210320 [0,1,0,0,0,0|2,0,0]=3 2745 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 34a_100000210711_100000042594 [0,1,0,0,0,0|2,0,0]=3 2746 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 7a_100000210711_100000042594 [0,1,0,0,0,0|2,0,0]=3 2747 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 34a_100000210711_200135323944 [0,1,0,0,0,0|2,1,0]=4 2748 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 7a_100000210711_200135323944 [0,1,0,0,0,0|2,1,0]=4 2749 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 34a_100000210711_100000038929 [0,1,0,0,0,0|2,0,0]=3 2750 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 7a_100000210711_100000038929 [0,1,0,0,0,0|2,0,0]=3 2751 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 34a_100000210711_100000076697 [0,1,0,0,0,0|2,0,0]=3 2752 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 7a_100000210711_100000076697 [0,1,0,0,0,0|2,0,0]=3 2753 B17R0.43 CCCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210320 [0,1,0,0,0,0|1,0,1]=3 2754 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [0,1,0,0,0,0|1,0,0]=2 2755 B17R0.43 CCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210320 [0,1,0,0,0,0|2,0,0]=3 2756 B17R0.43 CCCCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210320 [0,1,0,0,0,0|2,1,0]=4 2757 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [0,1,0,0,0,0|2,0,0]=3 2758 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 34a_100011628728_100000187820 [0,1,0,0,0,0|2,0,0]=3 2759 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210320 [0,1,0,0,0,0|2,0,0]=3 2760 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 7a_100011628728_100000187820 [0,1,0,0,0,0|2,0,0]=3 2761 B17R0.43 CCCCCCCCCCSCCOCC(=O)[O-] 34a_100011628728_100020667443 [0,1,0,0,0,0|1,0,1]=3 2762 B17R0.43 CCCCCCCCCCSCCOCC(C)O 34a_100011628728_100011218427 [0,1,0,0,0,0|2,0,1]=4 2763 B17R0.43 CCCCCCCCCCSCCOCC(C)O 7a_100011628728_100011218427 [0,1,0,0,0,0|2,0,1]=4 2764 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 34a_100011628728_100009817552 [0,1,0,0,0,0|2,0,1]=4 2765 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 7a_100011628728_100009817552 [0,1,0,0,0,0|2,0,1]=4 2766 B17R0.43 CCCCCCCCCCSCCOC[N+](=O)[O-] 34a_100011628728_100000761209 [0,1,0,0,0,0|2,0,1]=4 2767 B17R0.43 CCCCCCCCCNCCCCCB(O)O 2230a_100000212291_200009817188 [0,1,0,0,0,0|1,0,1]=3 2768 B17R0.43 CCCCCCCCCNCCCCCB(O)O 34a_100000212291_200009817188 [0,1,0,0,0,0|1,0,1]=3 2769 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [0,1,0,0,0,0|1,0,0]=2 2770 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [0,1,0,0,0,0|1,0,0]=2 2771 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100000212291_100000210682 [0,1,0,0,0,0|2,0,1]=4 2772 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100011290863_100011214924 [0,1,0,0,0,0|2,0,1]=4 2773 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100000212291_100000210682 [0,1,0,0,0,0|2,0,1]=4 2774 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100011290863_100011214924 [0,1,0,0,0,0|2,0,1]=4 2775 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011214924 [0,1,0,0,0,0|2,0,0]=3 2776 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100011214924 [0,1,0,0,0,0|2,0,0]=3 2777 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [0,1,0,0,0,0|2,0,0]=3 2778 B17R0.43 CCCCCCCCCNCCCCO[N+](=O)[O-] 34a_100000212291_100015694321 [0,1,0,0,0,0|2,0,1]=4 2779 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 2230a_100000212291_200010402107 [0,1,0,0,0,0|2,0,0]=3 2780 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 34a_100000212291_200010402107 [0,1,0,0,0,0|2,0,0]=3 2781 B17R0.43 CCCCCCCCCNCOCCOC(=O)C 34a_100000212291_100000076355 [0,1,0,0,0,0|3,0,0]=4 2782 B17R0.43 CCCCCCCCCOCCCCCB(O)O 34a_100000210712_200009817188 [0,1,0,0,0,0|1,0,1]=3 2783 B17R0.43 CCCCCCCCCOCCCCCB(O)O 7a_100000210712_200009817188 [0,1,0,0,0,0|1,0,1]=3 2784 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [0,1,0,0,0,0|1,0,0]=2 2785 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [0,1,0,0,0,0|1,0,0]=2 2786 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [0,1,0,0,0,0|1,0,0]=2 2787 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [0,1,0,0,0,0|1,0,0]=2 2788 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [0,1,0,0,0,0|0,0,1]=2 2789 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100000210712_100000210682 [0,1,0,0,0,0|2,0,1]=4 2790 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100011995859_100011214924 [0,1,0,0,0,0|2,0,1]=4 2791 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100000210712_100000210682 [0,1,0,0,0,0|2,0,1]=4 2792 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210328 [0,1,0,0,0,0|2,0,1]=4 2793 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [0,1,0,0,0,0|2,0,0]=3 2794 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [0,1,0,0,0,0|2,0,0]=3 2795 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [0,1,0,0,0,0|2,0,0]=3 2796 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [0,1,0,0,0,0|2,0,0]=3 2797 B17R0.43 CCCCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210712_100015694321 [0,1,0,0,0,0|2,0,1]=4 2798 B17R0.43 CCCCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210712_100015694321 [0,1,0,0,0,0|2,0,1]=4 2799 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 34a_100000210712_200010402107 [0,1,0,0,0,0|2,0,0]=3 2800 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 7a_100000210712_200010402107 [0,1,0,0,0,0|2,0,0]=3 2801 B17R0.43 CCCCCCCCCOCOCCOC(=O)C 34a_100000210712_100000076355 [0,1,0,0,0,0|3,0,0]=4 2802 B17R0.43 CCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210670 [0,1,0,0,0,0|1,0,1]=3 2803 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [0,1,0,0,0,0|1,0,0]=2 2804 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [0,1,0,0,0,0|2,0,0]=3 2805 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [0,1,0,0,0,0|2,0,0]=3 2806 B17R0.43 CCCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210670 [0,1,0,0,0,0|3,0,0]=4 2807 B17R0.43 CCCCCCCCNCCCCCCB(O)O 2230a_100000229939_100009817187 [0,1,0,0,0,0|1,0,1]=3 2808 B17R0.43 CCCCCCCCNCCCCCCB(O)O 34a_100000229939_100009817187 [0,1,0,0,0,0|1,0,1]=3 2809 B17R0.43 CCCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210759 [0,1,0,0,0,0|2,0,1]=4 2810 B17R0.43 CCCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210759 [0,1,0,0,0,0|2,0,1]=4 2811 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210759 [0,1,0,0,0,0|2,0,0]=3 2812 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210759 [0,1,0,0,0,0|2,0,0]=3 2813 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [0,1,0,0,0,0|2,0,0]=3 2814 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [0,1,0,0,0,0|2,0,0]=3 2815 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 2230a_100000229939_200000083610 [0,1,0,0,0,0|3,0,0]=4 2816 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 34a_100000229939_200000083610 [0,1,0,0,0,0|3,0,0]=4 2817 B17R0.43 CCCCCCCCOCCCCCCB(O)O 34a_100000210232_100009817187 [0,1,0,0,0,0|1,0,1]=3 2818 B17R0.43 CCCCCCCCOCCCCCCB(O)O 7a_100000210232_100009817187 [0,1,0,0,0,0|1,0,1]=3 2819 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [0,1,0,0,0,0|2,0,0]=3 2820 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [0,1,0,0,0,0|2,0,0]=3 2821 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 34a_100000210232_200000083610 [0,1,0,0,0,0|3,0,0]=4 2822 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 7a_100000210232_200000083610 [0,1,0,0,0,0|3,0,0]=4 2823 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100000210759_100009817187 [0,1,0,0,0,0|1,0,1]=3 2824 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210317 [0,1,0,0,0,0|1,0,1]=3 2825 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [0,1,0,0,0,0|2,0,0]=3 2826 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [0,1,0,0,0,0|2,0,0]=3 2827 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_100000210759_200000083610 [0,1,0,0,0,0|3,0,0]=4 2828 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210317 [0,1,0,0,0,0|3,0,0]=4 2829 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [0,1,0,0,0,0|2,0,0]=3 2830 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [0,1,0,0,0,0|2,0,0]=3 2831 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [0,1,0,0,0,0|2,0,0]=3 2832 B17R0.43 CCCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210614 [0,1,0,0,0,0|2,0,1]=4 2833 B17R0.43 CCCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210614 [0,1,0,0,0,0|2,0,1]=4 2834 B17R0.43 CCCCCCOCCOCCCCCB(O)O 34a_100000691444_200009817188 [0,1,0,0,0,0|2,0,1]=4 2835 B17R0.43 CCCCCCOCCOCCCCCB(O)O 7a_100000691444_200009817188 [0,1,0,0,0,0|2,0,1]=4 2836 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [0,1,0,0,0,0|2,0,0]=3 2837 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [0,1,0,0,0,0|2,0,0]=3 2838 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 34a_100000691444_100000033659 [0,1,0,0,0,0|3,0,0]=4 2839 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 7a_100000691444_100000033659 [0,1,0,0,0,0|3,0,0]=4 2840 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 34a_100000691444_200010402107 [0,1,0,0,0,0|3,0,0]=4 2841 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 7a_100000691444_200010402107 [0,1,0,0,0,0|3,0,0]=4 2842 B17R0.43 CCCCCCOCCOCCOCCC(=O)C 7a_100000032842_100000053229 [0,1,0,0,0,0|3,0,0]=4 2843 B17R0.43 CCCCCCOCCOCCOCCC(=O)N 34a_100000032842_100000731001 [0,1,0,0,0,0|3,0,0]=4 2844 B17R0.43 CCCCCCOCCOCCOCCC(=O)N 7a_100000032842_100000744528 [0,1,0,0,0,0|3,0,0]=4 2845 B17R0.43 CCCCCNCCOCCCCCCB(O)O 34a_100000224656_100009817187 [0,1,0,0,0,0|2,0,1]=4 2846 B17R0.43 CCCCCNCCOCCCCCOC(=O)C 34a_100000224656_100000033007 [0,1,0,0,0,0|3,0,0]=4 2847 B17R0.43 CCCCCOCCOCCCCCCB(O)O 34a_100011215259_100009817187 [0,1,0,0,0,0|2,0,1]=4 2848 B17R0.43 CCCCCOCCOCCCCCCB(O)O 7a_100011215259_100009817187 [0,1,0,0,0,0|2,0,1]=4 2849 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 34a_100011215259_100000033007 [0,1,0,0,0,0|3,0,0]=4 2850 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 7a_100011215259_100000033007 [0,1,0,0,0,0|3,0,0]=4 2851 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [0,1,0,0,0,0|1,0,0]=2 2852 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [0,1,0,0,0,0|1,0,0]=2 2853 B17R0.43 CCCCNCCCCOCCCCCB(O)O 34a_200011216965_200009817188 [0,1,0,0,0,0|2,0,1]=4 2854 B17R0.43 CCCCNCCCCOCCCCCC(=O)N 34a_200011216965_100009817443 [0,1,0,0,0,0|2,0,0]=3 2855 B17R0.43 CCCCNCCCCOCCCCOC(=O)C 34a_200011216965_100000033659 [0,1,0,0,0,0|3,0,0]=4 2856 B17R0.43 CCCCNCCCCOCCCCSC(=O)C 34a_200011216965_200010402107 [0,1,0,0,0,0|3,0,0]=4 2857 B17R0.43 CCCCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210211 [0,1,0,0,0,0|3,0,0]=4 2858 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [0,1,0,0,0,0|1,0,0]=2 2859 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [0,1,0,0,0,0|1,0,0]=2 2860 B17R0.43 CCCCOCCCCOCCCCCB(O)O 34a_200000760531_200009817188 [0,1,0,0,0,0|2,0,1]=4 2861 B17R0.43 CCCCOCCCCOCCCCCB(O)O 7a_200000760531_200009817188 [0,1,0,0,0,0|2,0,1]=4 2862 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 34a_200000760531_100009817443 [0,1,0,0,0,0|2,0,0]=3 2863 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 7a_200000760531_100009817443 [0,1,0,0,0,0|2,0,0]=3 2864 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 34a_200000760531_100000033659 [0,1,0,0,0,0|3,0,0]=4 2865 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 7a_200000760531_100000033659 [0,1,0,0,0,0|3,0,0]=4 2866 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 34a_200000760531_200010402107 [0,1,0,0,0,0|3,0,0]=4 2867 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 7a_200000760531_200010402107 [0,1,0,0,0,0|3,0,0]=4 2868 B17R0.43 CCCCOCCCNCCCCCCB(O)O 2230a_200000211371_100009817187 [0,1,0,0,0,0|2,0,1]=4 2869 B17R0.43 CCCCOCCCNCCCCCCB(O)O 34a_200000211371_100009817187 [0,1,0,0,0,0|2,0,1]=4 2870 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 2230a_200000211371_100009813381 [0,1,0,0,0,0|3,0,0]=4 2871 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 34a_200000211371_100000033007 [0,1,0,0,0,0|3,0,0]=4 2872 B17R0.43 CCCCOCCCOCCCCCCB(O)O 34a_200011215613_100009817187 [0,1,0,0,0,0|2,0,1]=4 2873 B17R0.43 CCCCOCCCOCCCCCCB(O)O 7a_200011215613_100009817187 [0,1,0,0,0,0|2,0,1]=4 2874 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 34a_200011215613_100000033007 [0,1,0,0,0,0|3,0,0]=4 2875 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 7a_200011215613_100000033007 [0,1,0,0,0,0|3,0,0]=4 2876 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100000743108 [0,1,0,0,0,0|3,0,0]=4 2877 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 34a_200011996284_100000743108 [0,1,0,0,0,0|3,0,0]=4 2878 B17R0.43 CCCCOCCNCCOCCOCC(=O)O 269956a_100009854275_100000743108 [0,1,0,0,0,0|3,0,0]=4 2879 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 34a_100011215186_100009817362 [0,1,0,0,0,0|3,0,0]=4 2880 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 7a_100011215186_100000735457 [0,1,0,0,0,0|3,0,0]=4 2881 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [0,1,0,0,0,0|1,0,0]=2 2882 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [0,1,0,0,0,0|1,0,0]=2 2883 B17R0.43 CCCOCCOCCNCCCCCC(=O)N 2230a_200011904461_100009817443 [0,1,0,0,0,0|3,0,0]=4 2884 B17R0.43 CCCOCCOCCNCCCCCC(=O)N 34a_200011904461_100009817443 [0,1,0,0,0,0|3,0,0]=4 2885 B17R0.43 CCNCCCCCCCCCCCSC(=O)C 2230a_100015525214_100010140907 [0,1,0,0,0,0|2,0,0]=3 2886 B17R0.43 CCOCCCCCCCCCCCSC(=O)C 34a_100121572206_100010140907 [0,1,0,0,0,0|2,0,0]=3 2887 B17R0.43 CCOCCCCCCCCCOCCC(=O)C 7a_100009875440_100000053229 [0,1,0,0,0,0|2,0,0]=3 2888 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 34a_100009875440_100000731001 [0,1,0,0,0,0|2,0,0]=3 2889 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 7a_100009875440_100000744528 [0,1,0,0,0,0|2,0,0]=3 2890 B17R0.43 CCOCCCCCCCCCOCCC(C)O 34a_100009875440_100012276601 [0,1,0,0,0,0|2,0,1]=4 2891 B17R0.43 CCOCCCCCCCCCOCCC(C)O 7a_100009875440_100012276601 [0,1,0,0,0,0|2,0,1]=4 2892 B17R0.43 CCOCCCCCCCCCOCOC(=O)C 34a_100009875440_100009813279 [0,1,0,0,0,0|3,0,0]=4 2893 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_100000739092_200010167045 [0,1,0,0,0,0|2,0,0]=3 2894 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_200010167045_100000739092 [0,1,0,0,0,0|2,0,0]=3 2895 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [0,1,0,0,0,0|2,0,0]=3 2896 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [0,1,0,0,0,0|2,0,0]=3 2897 B17R0.43 CN(C)CCCCCCCCCCCCCCO 2230a_100102631434_100009828009 [0,1,0,0,0,0|3,0,0]=4 2898 B17R0.43 CN(C)CCCCCCCCCCCCCCO 269982a_100102631434_100009828009 [0,1,0,0,0,0|3,0,0]=4 2899 B17R0.43 COCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011998445 [0,1,0,0,0,0|3,0,0]=4 2900 B17R0.43 COCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011998445 [0,1,0,0,0,0|3,0,0]=4 2901 B17R0.43 COCCCCCCOCCCCCCB(O)O 34a_200012092642_100009817187 [0,1,0,0,0,0|2,0,1]=4 2902 B17R0.43 COCCCCCCOCCCCCCB(O)O 7a_200012092642_100009817187 [0,1,0,0,0,0|2,0,1]=4 2903 B17R0.43 COCCCCCCOCCCCCOC(=O)C 34a_200012092642_100000033007 [0,1,0,0,0,0|3,0,0]=4 2904 B17R0.43 COCCCCCCOCCCCCOC(=O)C 7a_200012092642_100000033007 [0,1,0,0,0,0|3,0,0]=4 2905 B17R0.43 COCCCCCCSCCCCCCB(O)O 62a_100009817187_100011998445 [0,1,0,0,0,0|2,0,1]=4 2906 B17R0.43 COCCCCCCSCCCCCCB(O)O 62a_100011998445_100009817187 [0,1,0,0,0,0|2,0,1]=4 2907 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100000033007_100011998445 [0,1,0,0,0,0|3,0,0]=4 2908 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100011998445_100000033007 [0,1,0,0,0,0|3,0,0]=4 2909 B17R0.43 COCCCOCCCOCCCCCC(=O)N 34a_200011215475_100009817443 [0,1,0,0,0,0|3,0,0]=4 2910 B17R0.43 COCCCOCCCOCCCCCC(=O)N 7a_200011215475_100009817443 [0,1,0,0,0,0|3,0,0]=4 2911 B17R0.43 COCCNCCCCCCCCCCC(=O)N 2230a_100000209980_200010167045 [0,1,0,0,0,0|2,0,0]=3 2912 B17R0.43 COCCOCCCCCCCCCCC(=O)N 34a_100000210237_200010167045 [0,1,0,0,0,0|2,0,0]=3 2913 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_100000233755_200010167045 [0,1,0,0,0,0|2,0,0]=3 2914 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000233755 [0,1,0,0,0,0|2,0,0]=3 2915 B17R0.43 CS(=O)CCCNCCCCCCCCCCO 2230a_200000753449_100009813290 [0,1,0,0,0,0|3,0,0]=4 2916 B17R0.43 CSCCNCCCCCCCCCCC(=O)N 2230a_100020590264_200010167045 [0,1,0,0,0,0|2,0,0]=3 2917 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 34a_100000230434_200010167045 [0,1,0,0,0,0|2,0,0]=3 2918 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 7a_100000230434_200010167045 [0,1,0,0,0,0|2,0,0]=3 2919 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_100000212216_200010167045 [0,1,0,0,0,0|2,0,0]=3 2920 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000751147 [0,1,0,0,0,0|2,0,0]=3 2921 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 2230a_100000066677_100009817552 [0,1,0,0,0,0|2,0,1]=4 2922 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 34a_100000066677_100009817552 [0,1,0,0,0,0|2,0,1]=4 2923 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 34a_100009813331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2924 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 7a_100009813331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2925 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCN 34a_100000066677_100009817552 [0,1,0,0,0,0|2,0,1]=4 2926 B17R0.43 C[C@@H](O)CSCCCCCCCCCCCCO 62a_100009813331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2927 B17R0.43 N#CCCSCCCCCCCCCCC(=O)N 62a_100011215226_200010167045 [0,1,0,0,0,0|2,0,1]=4 2928 B17R0.43 N#CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215226 [0,1,0,0,0,0|2,0,1]=4 2929 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_200010167045 [0,1,0,0,0,0|2,0,0]=3 2930 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 34a_100015189416_200010167045 [0,1,0,0,0,0|2,0,0]=3 2931 B17R0.43 NC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_200010167045 [0,1,0,0,0,0|2,0,0]=3 2932 B17R0.43 NC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_200010167045 [0,1,0,0,0,0|2,0,0]=3 2933 B17R0.43 NC(=O)CCCCCCCCCCOCCCF 34a_100000759539_200010167045 [0,1,0,0,0,0|2,0,0]=3 2934 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_100011934791_200010167045 [0,1,0,0,0,0|2,0,0]=3 2935 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_200010167045_100011934791 [0,1,0,0,0,0|2,0,0]=3 2936 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_100011215043_200010167045 [0,1,0,0,0,0|2,0,0]=3 2937 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_200010167045_100011215043 [0,1,0,0,0,0|2,0,0]=3 2938 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009817443 [0,1,0,0,0,0|2,0,0]=3 2939 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009817443 [0,1,0,0,0,0|2,0,0]=3 2940 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009817443 [0,1,0,0,0,0|2,0,0]=3 2941 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009817443 [0,1,0,0,0,0|2,0,0]=3 2942 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009817443 [0,1,0,0,0,0|2,0,0]=3 2943 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009817443 [0,1,0,0,0,0|2,0,0]=3 2944 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 34a_100000123541_100000033203 [0,1,0,0,0,0|2,0,0]=3 2945 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 7a_100000123541_100000033203 [0,1,0,0,0,0|2,0,0]=3 2946 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009817443 [0,1,0,0,0,0|2,0,0]=3 2947 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100009817443_100000033203 [0,1,0,0,0,0|2,0,0]=3 2948 B17R0.43 NC(=O)CCCCNCCCCCCCCCO 34a_100000696515_100009813782 [0,1,0,0,0,0|2,0,0]=3 2949 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 34a_100012022536_100009813782 [0,1,0,0,0,0|2,0,0]=3 2950 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 7a_100012022536_100009813782 [0,1,0,0,0,0|2,0,0]=3 2951 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100102525003 [0,1,0,0,0,0|2,0,0]=3 2952 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000739312_100009813290 [0,1,0,0,0,0|2,0,0]=3 2953 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100102525003 [0,1,0,0,0,0|2,0,0]=3 2954 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100102525003 [0,1,0,0,0,0|2,0,0]=3 2955 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100102525003 [0,1,0,0,0,0|2,0,0]=3 2956 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100102525003 [0,1,0,0,0,0|2,0,0]=3 2957 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100102525003 [0,1,0,0,0,0|2,0,0]=3 2958 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100102525003_200000033068 [0,1,0,0,0,0|2,0,0]=3 2959 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000731001 [0,1,0,0,0,0|2,0,0]=3 2960 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000744528 [0,1,0,0,0,0|2,0,0]=3 2961 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 34a_100000757172_100009812471 [0,1,0,0,0,0|2,0,0]=3 2962 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 7a_100000757172_100009812471 [0,1,0,0,0,0|2,0,0]=3 2963 B17R0.43 NC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000744528 [0,1,0,0,0,0|2,0,0]=3 2964 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747473 [0,1,0,0,0,0|2,0,0]=3 2965 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000711301_100009813331 [0,1,0,0,0,0|2,0,0]=3 2966 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000187820 [0,1,0,0,0,0|2,0,0]=3 2967 B17R0.43 NC(=O)CNCCCCCCOCCCCCO 2230a_100000711301_200132310570 [0,1,0,0,0,0|3,0,0]=4 2968 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000187820 [0,1,0,0,0,0|2,0,0]=3 2969 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000187820 [0,1,0,0,0,0|2,0,0]=3 2970 B17R0.43 NC(=O)COCCCCCOCCCCCCCl 34a_200132310570_100000187820 [0,1,0,0,0,0|3,0,0]=4 2971 B17R0.43 NC(=O)COCCCCCOCCCCCCCl 7a_200132310570_100000187820 [0,1,0,0,0,0|3,0,0]=4 2972 B17R0.43 NC(=O)COCCNCCCCCCCCCO 2230a_100000078944_100000076697 [0,1,0,0,0,0|3,0,0]=4 2973 B17R0.43 NC(=O)COCCNCCCCCCCCCO 34a_100000078944_100000076697 [0,1,0,0,0,0|3,0,0]=4 2974 B17R0.43 NC(=O)COCCOCCCCCCCCCBr 34a_100009813782_100000076697 [0,1,0,0,0,0|3,0,0]=4 2975 B17R0.43 NC(=O)COCCOCCCCCCCCCBr 7a_100009813782_100000076697 [0,1,0,0,0,0|3,0,0]=4 2976 B17R0.43 NC(=O)COCCOCCCCCCCCCCl 34a_100009868337_100000076697 [0,1,0,0,0,0|3,0,0]=4 2977 B17R0.43 NC(=O)COCCOCCCCCCCCCCl 7a_100009868337_100000076697 [0,1,0,0,0,0|3,0,0]=4 2978 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100000076697_100009813782 [0,1,0,0,0,0|3,0,0]=4 2979 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100009813782_100000076697 [0,1,0,0,0,0|3,0,0]=4 2980 B17R0.43 NC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747473 [0,1,0,0,0,0|2,0,0]=3 2981 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_100000747473_200132310570 [0,1,0,0,0,0|3,0,0]=4 2982 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_200132310570_100000747473 [0,1,0,0,0,0|3,0,0]=4 2983 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_200000034859 [0,1,0,0,0,0|3,0,0]=4 2984 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 34a_100020590234_100009813290 [0,1,0,0,0,0|3,0,0]=4 2985 B17R0.43 NC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_200000034859 [0,1,0,0,0,0|3,0,0]=4 2986 B17R0.43 NC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_200000034859 [0,1,0,0,0,0|3,0,0]=4 2987 B17R0.43 NC(=O)NCCOCCCCCCCCCCO 34a_100000181757_100009813290 [0,1,0,0,0,0|3,0,0]=4 2988 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_100009813290_200000034859 [0,1,0,0,0,0|3,0,0]=4 2989 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_200000034859_200000033068 [0,1,0,0,0,0|3,0,0]=4 2990 B17R0.43 NC(=O)OCCNCCCCCCCCCCO 34a_100000066964_200011214921 [0,1,0,0,0,0|3,0,0]=4 2991 B17R0.43 NC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_200011214921 [0,1,0,0,0,0|3,0,0]=4 2992 B17R0.43 NC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_200011214921 [0,1,0,0,0,0|3,0,0]=4 2993 B17R0.43 NC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_200011214921 [0,1,0,0,0,0|3,0,0]=4 2994 B17R0.43 NC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_200011214921 [0,1,0,0,0,0|3,0,0]=4 2995 B17R0.43 NC(=O)OCCOCCCCCCCCCCO 7a_100000766696_100009813290 [0,1,0,0,0,0|3,0,0]=4 2996 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_100009813290_200011214921 [0,1,0,0,0,0|3,0,0]=4 2997 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_200011214921_200000033068 [0,1,0,0,0,0|3,0,0]=4 2998 B17R0.43 NCCCCCCCCCCCCOCC(=O)N 34a_100000066677_100000187820 [0,1,0,0,0,0|2,0,0]=3 2999 B17R0.43 NCCCCCCCCCCCCOCC(=O)[O-] 34a_100000066677_100020667443 [0,1,0,0,0,0|1,0,1]=3 3000 B17R0.43 NCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066677_100000761209 [0,1,0,0,0,0|2,0,1]=4 3001 B17R0.43 NCCCCCCCCCCOCCCC(=O)N 34a_100000066964_100102525003 [0,1,0,0,0,0|2,0,0]=3 3002 B17R0.43 NCCCCCCCCCCOCCOC(=O)N 34a_100000066964_200011214921 [0,1,0,0,0,0|3,0,0]=4 3003 B17R0.43 NCCCCCCCCCOCCCCB(O)O 34a_100000078944_200009817182 [0,1,0,0,0,0|2,0,1]=4 3004 B17R0.43 NCCCCCCCCCOCCOCC(=O)N 34a_100000078944_100000076697 [0,1,0,0,0,0|3,0,0]=4 3005 B17R0.43 NCCCCCCCCOCCCCCB(O)O 34a_102515433106_200009817188 [0,1,0,0,0,0|2,0,1]=4 3006 B17R0.43 NCCCCCCCCOCCCCCC(=O)N 34a_102515433106_100009817443 [0,1,0,0,0,0|2,0,0]=3 3007 B17R0.43 NCCCCCCCOCCCCCCB(O)O 34a_100011996573_100009817187 [0,1,0,0,0,0|2,0,1]=4 3008 B17R0.43 NCCCOCCCCCCCCCCC(=O)N 34a_100000182051_200010167045 [0,1,0,0,0,0|2,0,0]=3 3009 B17R0.43 NCCNCCCCCOCCCCCC(=O)N 34a_103619048469_100009817443 [0,1,0,0,0,0|3,0,0]=4 3010 B17R0.43 NOCCOCCCCCCCCCCC(=O)N 34a_100000700252_200010167045 [0,1,0,0,0,0|3,0,0]=4 3011 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,1,0,0,0,0|1,0,0]=2 3012 B17R0.43 O=C(O)CNCCCCCCOCCCCCO 269956a_100016091260_200132310570 [0,1,0,0,0,0|2,0,0]=3 3013 B17R0.43 O=C(O)COCCNCCCCCCCCCO 269956a_100000700818_100009813782 [0,1,0,0,0,0|2,0,0]=3 3014 B17R0.43 O=C(O)COCCOCCNCCCCCCF 269956a_100009854275_100015922095 [0,1,0,0,0,0|3,0,0]=4 3015 B17R0.43 O=C(O)COCCOCCNCCCCCCO 269956a_100009854275_100000766143 [0,1,0,0,0,0|3,0,0]=4 3016 B17R0.43 O=C(O)CONCCCCCCCCCCCO 269956a_100000106656_100009812471 [0,1,0,0,0,0|2,0,0]=3 3017 B17R0.43 O=C([O-])CCCCCOCCCCCCCCO 7a_100102619762_100000033203 [0,1,0,0,0,0|1,0,1]=3 3018 B17R0.43 O=C([O-])CNCCCCCCCCCCCCO 34a_100000066677_100020667443 [0,1,0,0,0,0|1,0,1]=3 3019 B17R0.43 O=C([O-])COCCCCCCCCCCCCBr 34a_100009813331_100020667443 [0,1,0,0,0,0|1,0,1]=3 3020 B17R0.43 O=C([O-])COCCCCCOCCCCCCCl 34a_200132310570_100020667443 [0,1,0,0,0,0|2,0,1]=4 3021 B17R0.43 O=C([O-])CSCCCCCCCCCCCCO 62a_100009813331_100020667443 [0,1,0,0,0,0|1,0,1]=3 3022 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_100020667443_200132310570 [0,1,0,0,0,0|2,0,1]=4 3023 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_200132310570_100020667443 [0,1,0,0,0,0|2,0,1]=4 3024 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 34a_200015379883_100009813782 [0,1,0,0,0,0|2,0,1]=4 3025 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 7a_200015379883_100009813782 [0,1,0,0,0,0|2,0,1]=4 3026 B17R0.43 O=[N+]([O-])CCCOCCCCCCCCCCO 34a_200000037920_100009813290 [0,1,0,0,0,0|2,0,1]=4 3027 B17R0.43 O=[N+]([O-])CNCCCCCCCCCCCCO 34a_100000066677_100000761209 [0,1,0,0,0,0|2,0,1]=4 3028 B17R0.43 O=[N+]([O-])COCCCCCCCCCCCCBr 34a_100009813331_100000761209 [0,1,0,0,0,0|2,0,1]=4 3029 B17R0.43 O=[N+]([O-])CSCCCCCCCCCCCCO 62a_100009813331_100000761209 [0,1,0,0,0,0|2,0,1]=4 3030 B17R0.43 OB(O)CCCCCCOCCCCCCCBr 34a_100000760002_100009817187 [0,1,0,0,0,0|2,0,1]=4 3031 B17R0.43 OB(O)CCCCCCOCCCCCCCBr 7a_100000760002_100009817187 [0,1,0,0,0,0|2,0,1]=4 3032 B17R0.43 OB(O)CCCCCOCCCCCCCCBr 34a_100009813846_200009817188 [0,1,0,0,0,0|2,0,1]=4 3033 B17R0.43 OB(O)CCCCCOCCCCCCCCBr 7a_100009813846_200009817188 [0,1,0,0,0,0|2,0,1]=4 3034 B17R0.43 OB(O)CCCCCOCCCCCCCCCl 34a_100000033203_200009817188 [0,1,0,0,0,0|2,0,1]=4 3035 B17R0.43 OB(O)CCCCCOCCCCCCCCCl 7a_100000033203_200009817188 [0,1,0,0,0,0|2,0,1]=4 3036 B17R0.43 OB(O)CCCCOCCCCCCCCCBr 34a_100009813782_200009817182 [0,1,0,0,0,0|2,0,1]=4 3037 B17R0.43 OB(O)CCCCOCCCCCCCCCBr 7a_100009813782_200009817182 [0,1,0,0,0,0|2,0,1]=4 3038 B17R0.43 OB(O)CCCCOCCCCCCCCCCl 34a_100009868337_200009817182 [0,1,0,0,0,0|2,0,1]=4 3039 B17R0.43 OB(O)CCCCOCCCCCCCCCCl 7a_100009868337_200009817182 [0,1,0,0,0,0|2,0,1]=4 3040 B17R0.43 OCCCCCCCCCNCCCCB(O)O 2230a_100000078944_200009817182 [0,1,0,0,0,0|2,0,1]=4 3041 B17R0.43 OCCCCCCCCCNCCCCB(O)O 34a_100000078944_200009817182 [0,1,0,0,0,0|2,0,1]=4 3042 B17R0.43 OCCCCCCCCCSCCCCB(O)O 62a_100009813782_200009817182 [0,1,0,0,0,0|2,0,1]=4 3043 B17R0.43 OCCCCCCCCCSCCCCB(O)O 62a_200009817182_100009813782 [0,1,0,0,0,0|2,0,1]=4 3044 B17R0.43 OCCCCCCCCNCCCCCB(O)O 2230a_102515433106_200009817188 [0,1,0,0,0,0|2,0,1]=4 3045 B17R0.43 OCCCCCCCCNCCCCCB(O)O 34a_102515433106_200009817188 [0,1,0,0,0,0|2,0,1]=4 3046 B17R0.43 OCCCCCCCCSCCCCCB(O)O 62a_100000033203_200009817188 [0,1,0,0,0,0|2,0,1]=4 3047 B17R0.43 OCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000033203 [0,1,0,0,0,0|2,0,1]=4 3048 B17R0.43 OCCCCCCCNCCCCCCB(O)O 2230a_100011996573_100009817187 [0,1,0,0,0,0|2,0,1]=4 3049 B17R0.43 OCCCCCCCNCCCCCCB(O)O 34a_100011996573_100009817187 [0,1,0,0,0,0|2,0,1]=4 3050 B17R0.43 OCCCCCCCSCCCCCCB(O)O 62a_100000760002_100009817187 [0,1,0,0,0,0|2,0,1]=4 3051 B17R0.43 OCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000760002 [0,1,0,0,0,0|2,0,1]=4 3052 B17R0.78 CCCCCCCC(=O)CCCCCCB(O)O 1458a_100000211969_100009817187 [0,1,0,0,0,0|1,0,2]=4 3053 B17R0.78 CCCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210614 [0,1,0,0,0,0|2,0,1]=4 3054 B17R0.78 CCCCCCCC(=O)CCCCCOC(=O)C 1458a_100000211969_100000033007 [0,1,0,0,0,0|2,0,1]=4 3055 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218727 [0,1,0,0,0,0|3,0,0]=4 3056 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210596 [0,1,0,0,0,0|3,0,0]=4 3057 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218727 [0,1,0,0,0,0|3,0,0]=4 3058 B17R0.78 CCCCCCCC(C)OCCCCCB(O)O 34a_200011215852_200009817188 [0,1,0,0,0,0|2,0,1]=4 3059 B17R0.78 CCCCCCCC(C)OCCCCCB(O)O 7a_200011215852_200009817188 [0,1,0,0,0,0|2,0,1]=4 3060 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218727 [0,1,0,0,0,0|2,0,0]=3 3061 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_200011215852_100009817443 [0,1,0,0,0,0|2,0,0]=3 3062 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218727 [0,1,0,0,0,0|2,0,0]=3 3063 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_200011215852_100009817443 [0,1,0,0,0,0|2,0,0]=3 3064 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218727 [0,1,0,0,0,0|1,0,1]=3 3065 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218727 [0,1,0,0,0,0|3,0,0]=4 3066 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 34a_200011215852_100000033659 [0,1,0,0,0,0|3,0,0]=4 3067 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218727 [0,1,0,0,0,0|3,0,0]=4 3068 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 7a_200011215852_100000033659 [0,1,0,0,0,0|3,0,0]=4 3069 B17R0.78 CCCCCCCC(C)OCCCCSC(=O)C 34a_200011215852_200010402107 [0,1,0,0,0,0|3,0,0]=4 3070 B17R0.78 CCCCCCCC(C)OCCCCSC(=O)C 7a_200011215852_200010402107 [0,1,0,0,0,0|3,0,0]=4 3071 B17R0.78 CCCCCCCC(C)SCCCCCB(O)O 62a_200009817188_200011218727 [0,1,0,0,0,0|2,0,1]=4 3072 B17R0.78 CCCCCCCC(C)SCCCCCB(O)O 62a_200011218727_200009817188 [0,1,0,0,0,0|2,0,1]=4 3073 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218727 [0,1,0,0,0,0|2,0,0]=3 3074 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_200011218727_100009817443 [0,1,0,0,0,0|2,0,0]=3 3075 B17R0.78 CCCCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218727 [0,1,0,0,0,0|3,0,0]=4 3076 B17R0.78 CCCCCCCC(C)SCCCCOC(=O)C 62a_200011218727_100000033659 [0,1,0,0,0,0|3,0,0]=4 3077 B17R0.78 CCCCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218727 [0,1,0,0,0,0|3,0,0]=4 3078 B17R0.78 CCCCCCCC(C)SCCCCSC(=O)C 62a_200011218727_200010402107 [0,1,0,0,0,0|3,0,0]=4 3079 B17R0.78 CCCCCCCN(C)CCCCCCB(O)O 2230a_100000228206_100009817187 [0,1,0,0,0,0|2,0,1]=4 3080 B17R0.78 CCCCCCCN(C)CCCCCCB(O)O 269982a_100000228206_100009817187 [0,1,0,0,0,0|2,0,1]=4 3081 B17R0.78 CCCCCCCN(C)CCCCCOC(=O)C 2230a_100000228206_100009813381 [0,1,0,0,0,0|3,0,0]=4 3082 B17R0.78 CCCCCCCN(C)CCCCCOC(=O)C 269982a_100000228206_100000033007 [0,1,0,0,0,0|3,0,0]=4 3083 B17R0.101 CCCCCCCCC(=O)CCCCCB(O)O 1458a_100000210188_200009817188 [0,1,0,0,0,0|1,0,2]=4 3084 B17R0.101 CCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210188_100009817443 [0,1,0,0,0,0|1,0,1]=3 3085 B17R0.101 CCCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210759 [0,1,0,0,0,0|1,0,2]=4 3086 B17R0.101 CCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210188_100000033659 [0,1,0,0,0,0|2,0,1]=4 3087 B17R0.101 CCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210188_200010402107 [0,1,0,0,0,0|2,0,1]=4 3088 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210188 [0,1,0,0,0,0|2,0,1]=4 3089 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210188 [0,1,0,0,0,0|2,0,1]=4 3090 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210188 [0,1,0,0,0,0|2,0,1]=4 3091 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210188 [0,1,0,0,0,0|2,0,1]=4 3092 B17R0.101 CCCCCCCCC(C)CNCCCS(=O)C 270004a_200000753449_100011995885 [0,1,0,0,0,0|3,0,0]=4 3093 B17R0.101 CCCCCCCCC(C)COCCCC(=O)C 34a_200012125181_100000685027 [0,1,0,0,0,0|2,0,0]=3 3094 B17R0.101 CCCCCCCCC(C)COCCCC(=O)C 7a_200012125181_100011215641 [0,1,0,0,0,0|2,0,0]=3 3095 B17R0.101 CCCCCCCCC(C)COCCCC(=O)N 34a_200012125181_100102525003 [0,1,0,0,0,0|2,0,0]=3 3096 B17R0.101 CCCCCCCCC(C)COCCCC(=O)N 7a_200012125181_100102525003 [0,1,0,0,0,0|2,0,0]=3 3097 B17R0.101 CCCCCCCCC(C)COCCCC(C)O 34a_200012125181_200000718107 [0,1,0,0,0,0|2,0,1]=4 3098 B17R0.101 CCCCCCCCC(C)COCCCC(C)O 7a_200012125181_200000718107 [0,1,0,0,0,0|2,0,1]=4 3099 B17R0.101 CCCCCCCCC(C)COCCNC(=O)C 7a_200012125181_100000189650 [0,1,0,0,0,0|3,0,0]=4 3100 B17R0.101 CCCCCCCCC(C)COCCNC(=O)N 7a_200012125181_200000034859 [0,1,0,0,0,0|3,0,0]=4 3101 B17R0.101 CCCCCCCCC(C)COCCOC(=O)C 34a_200012125181_100009814007 [0,1,0,0,0,0|3,0,0]=4 3102 B17R0.101 CCCCCCCCC(C)COCCOC(=O)C 7a_200012125181_100009814007 [0,1,0,0,0,0|3,0,0]=4 3103 B17R0.101 CCCCCCCCC(C)COCCOC(=O)N 34a_200012125181_200011214921 [0,1,0,0,0,0|3,0,0]=4 3104 B17R0.101 CCCCCCCCC(C)COCCOC(=O)N 7a_200012125181_200011214921 [0,1,0,0,0,0|3,0,0]=4 3105 B17R0.101 CCCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011216694 [0,1,0,0,0,0|2,0,0]=3 3106 B17R0.101 CCCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100011216694 [0,1,0,0,0,0|3,0,0]=4 3107 B17R0.101 CCCCCCCCC(C)OCCCCB(O)O 34a_100000210740_200009817182 [0,1,0,0,0,0|2,0,1]=4 3108 B17R0.101 CCCCCCCCC(C)OCCCCB(O)O 7a_100000210740_200009817182 [0,1,0,0,0,0|2,0,1]=4 3109 B17R0.101 CCCCCCCCC(C)OCCCCC(=O)C 34a_100000210740_100009817362 [0,1,0,0,0,0|2,0,0]=3 3110 B17R0.101 CCCCCCCCC(C)OCCCCC(=O)C 7a_100000210740_100000735457 [0,1,0,0,0,0|2,0,0]=3 3111 B17R0.101 CCCCCCCCC(C)OCCCOC(=O)C 34a_100000210740_100000042594 [0,1,0,0,0,0|3,0,0]=4 3112 B17R0.101 CCCCCCCCC(C)OCCCOC(=O)C 7a_100000210740_100000042594 [0,1,0,0,0,0|3,0,0]=4 3113 B17R0.101 CCCCCCCCC(C)OCCCSC(=O)C 34a_100000210740_100000038929 [0,1,0,0,0,0|3,0,0]=4 3114 B17R0.101 CCCCCCCCC(C)OCCCSC(=O)C 7a_100000210740_100000038929 [0,1,0,0,0,0|3,0,0]=4 3115 B17R0.101 CCCCCCCCC(C)OCCOCC(=O)N 34a_100000210740_100000076697 [0,1,0,0,0,0|3,0,0]=4 3116 B17R0.101 CCCCCCCCC(C)OCCOCC(=O)N 7a_100000210740_100000076697 [0,1,0,0,0,0|3,0,0]=4 3117 B17R0.101 CCCCCCCCN(C)CCCCCB(O)O 2230a_100000207567_200009817188 [0,1,0,0,0,0|2,0,1]=4 3118 B17R0.101 CCCCCCCCN(C)CCCCCB(O)O 269982a_100000207567_200009817188 [0,1,0,0,0,0|2,0,1]=4 3119 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 2230a_100000207567_100009817443 [0,1,0,0,0,0|2,0,0]=3 3120 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 269982a_100000207567_100009817443 [0,1,0,0,0,0|2,0,0]=3 3121 B17R0.101 CCCCCCCCN(C)CCCCOC(=O)C 269982a_100000207567_100000033659 [0,1,0,0,0,0|3,0,0]=4 3122 B17R0.101 CCCCCCCCN(C)CCCCSC(=O)C 2230a_100000207567_200010402107 [0,1,0,0,0,0|3,0,0]=4 3123 B17R0.101 CCCCCCCCN(C)CCCCSC(=O)C 269982a_100000207567_200010402107 [0,1,0,0,0,0|3,0,0]=4 3124 B17R0.101 NC(=O)CCCCCC(=O)CCCCCCCO 1458a_100011219782_100009817443 [0,1,0,0,0,0|2,0,1]=4 3125 B17R0.116 C=C(C)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100000748629 [0,1,0,0,0,0|2,0,1]=4 3126 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 2230a_100000225649_100011215052 [0,1,0,0,0,0|3,0,0]=4 3127 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 2230a_100000227908_100000748629 [0,1,0,0,0,0|3,0,0]=4 3128 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 269982a_100000225649_100000759014 [0,1,0,0,0,0|3,0,0]=4 3129 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 269982a_100000227908_100000748629 [0,1,0,0,0,0|3,0,0]=4 3130 B17R0.116 C=C(C)CN(C)CCCCCCCCCCCC 270004a_100000225649_100011218549 [0,1,0,0,0,0|3,0,0]=4 3131 B17R0.116 C=C(F)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100009893438 [0,1,0,0,0,0|2,0,1]=4 3132 B17R0.116 C=C(F)CN(C)CCCCCCCCCCCC 2230a_100000227908_100009893438 [0,1,0,0,0,0|3,0,0]=4 3133 B17R0.116 C=C(F)CN(C)CCCCCCCCCCCC 269982a_100000227908_100009893438 [0,1,0,0,0,0|3,0,0]=4 3134 B17R0.116 C=CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011093070 [0,1,0,0,0,0|1,0,2]=4 3135 B17R0.116 C=CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011933949 [0,1,0,0,0,0|1,0,2]=4 3136 B17R0.116 CCC#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_200000036426 [0,1,0,0,0,0|1,0,2]=4 3137 B17R0.116 CCCCC#CCCCCCCN(C)CC(=O)O 269956a_100000746989_200000043322 [0,1,0,0,0,0|1,0,2]=4 3138 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [0,1,0,0,0,0|1,0,1]=3 3139 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [0,1,0,0,0,0|1,0,1]=3 3140 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [0,1,0,0,0,0|0,0,2]=3 3141 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [0,1,0,0,0,0|1,0,2]=4 3142 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [0,1,0,0,0,0|1,0,2]=4 3143 B17R0.116 CCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011215791_100000761209 [0,1,0,0,0,0|1,0,2]=4 3144 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000227908_100000747473 [0,1,0,0,0,0|2,0,0]=3 3145 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215052 [0,1,0,0,0,0|2,0,0]=3 3146 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 269982a_100000227908_100000187820 [0,1,0,0,0,0|2,0,0]=3 3147 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_100011218549 [0,1,0,0,0,0|2,0,0]=3 3148 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,1,0,0,0,0|1,0,0]=2 3149 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000227908_100020667443 [0,1,0,0,0,0|1,0,1]=3 3150 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215052 [0,1,0,0,0,0|2,0,1]=4 3151 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227908_100011218427 [0,1,0,0,0,0|2,0,1]=4 3152 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000759014 [0,1,0,0,0,0|2,0,1]=4 3153 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227908_100011218427 [0,1,0,0,0,0|2,0,1]=4 3154 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_100011218549 [0,1,0,0,0,0|2,0,1]=4 3155 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000227908_100009817552 [0,1,0,0,0,0|2,0,1]=4 3156 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000227908_100009817552 [0,1,0,0,0,0|2,0,1]=4 3157 B17R0.116 CCCCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000227908_100000761209 [0,1,0,0,0,0|2,0,1]=4 3158 B17R0.116 CCCCCCCCCCCNC(=O)CC(=O)N 240690a_200011215754_100134613110 [0,1,0,0,0,0|2,0,1]=4 3159 B17R0.116 CCCCCCCCCCCNC(=O)CC(=O)N 527a_200011215754_100134613110 [0,1,0,0,0,0|2,0,1]=4 3160 B17R0.116 CCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100011215454 [0,1,0,0,0,0|3,0,0]=4 3161 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,1,0,0,0,0|1,0,0]=2 3162 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009812471 [0,1,0,0,0,0|3,0,0]=4 3163 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009812471 [0,1,0,0,0,0|2,0,0]=3 3164 B17R0.116 NC(=O)CC(=O)CCCCCCCCCCCO 1458a_100134613110_100009812471 [0,1,0,0,0,0|2,0,1]=4 3165 B17R0.116 O=C(O)CC(O)CNCCCCCCCCCO 269956a_100011218706_100009813782 [0,1,0,0,0,0|2,0,0]=3 3166 B17R0.139 CCCCCCC(C)CCOCCCCB(O)O 34a_200011024964_200009817182 [0,1,0,0,0,0|2,0,1]=4 3167 B17R0.139 CCCCCCC(C)CCOCCCCB(O)O 7a_200011024964_200009817182 [0,1,0,0,0,0|2,0,1]=4 3168 B17R0.139 CCCCCCC(C)CCOCCCCC(=O)C 34a_200011024964_100009817362 [0,1,0,0,0,0|2,0,0]=3 3169 B17R0.139 CCCCCCC(C)CCOCCCCC(=O)C 7a_200011024964_100000735457 [0,1,0,0,0,0|2,0,0]=3 3170 B17R0.139 CCCCCCC(C)CCOCCCOC(=O)C 34a_200011024964_100000042594 [0,1,0,0,0,0|3,0,0]=4 3171 B17R0.139 CCCCCCC(C)CCOCCCOC(=O)C 7a_200011024964_100000042594 [0,1,0,0,0,0|3,0,0]=4 3172 B17R0.139 CCCCCCC(C)CCOCCCSC(=O)C 34a_200011024964_100000038929 [0,1,0,0,0,0|3,0,0]=4 3173 B17R0.139 CCCCCCC(C)CCOCCCSC(=O)C 7a_200011024964_100000038929 [0,1,0,0,0,0|3,0,0]=4 3174 B17R0.139 CCCCCCC(C)CCOCCOCC(=O)N 34a_200011024964_100000076697 [0,1,0,0,0,0|3,0,0]=4 3175 B17R0.139 CCCCCCC(C)CCOCCOCC(=O)N 7a_200011024964_100000076697 [0,1,0,0,0,0|3,0,0]=4 3176 B17R0.139 CCCCCCC(C)NCCCCCCB(O)O 2230a_100000210919_100009817187 [0,1,0,0,0,0|2,0,1]=4 3177 B17R0.139 CCCCCCC(C)NCCCCCCB(O)O 34a_100000210919_100009817187 [0,1,0,0,0,0|2,0,1]=4 3178 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100011215978 [0,1,0,0,0,0|3,0,0]=4 3179 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210826 [0,1,0,0,0,0|3,0,0]=4 3180 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215978 [0,1,0,0,0,0|3,0,0]=4 3181 B17R0.139 CCCCCCC(C)NCCCCCOC(=O)C 2230a_100000210919_100009813381 [0,1,0,0,0,0|3,0,0]=4 3182 B17R0.139 CCCCCCC(C)NCCCCCOC(=O)C 34a_100000210919_100000033007 [0,1,0,0,0,0|3,0,0]=4 3183 B17R0.139 CCCCCCC(C)OCCCCCCB(O)O 34a_100000210265_100009817187 [0,1,0,0,0,0|2,0,1]=4 3184 B17R0.139 CCCCCCC(C)OCCCCCCB(O)O 7a_100000210265_100009817187 [0,1,0,0,0,0|2,0,1]=4 3185 B17R0.139 CCCCCCC(C)OCCCCCOC(=O)C 34a_100000210265_100000033007 [0,1,0,0,0,0|3,0,0]=4 3186 B17R0.139 CCCCCCC(C)OCCCCCOC(=O)C 7a_100000210265_100000033007 [0,1,0,0,0,0|3,0,0]=4 3187 B17R0.139 CCCCCCC(C)SCCCCCCB(O)O 62a_100009817187_100011215978 [0,1,0,0,0,0|2,0,1]=4 3188 B17R0.139 CCCCCCC(C)SCCCCCCB(O)O 62a_100011215978_100009817187 [0,1,0,0,0,0|2,0,1]=4 3189 B17R0.139 CCCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_100011215978 [0,1,0,0,0,0|3,0,0]=4 3190 B17R0.139 CCCCCCC(C)SCCCCCOC(=O)C 62a_100011215978_100000033007 [0,1,0,0,0,0|3,0,0]=4 3191 B17R0.170 CCCCC(C)CCCCOCCCCB(O)O 34a_200011021034_200009817182 [0,1,0,0,0,0|2,0,1]=4 3192 B17R0.170 CCCCC(C)CCCCOCCCCB(O)O 7a_200011021034_200009817182 [0,1,0,0,0,0|2,0,1]=4 3193 B17R0.170 CCCCC(C)CCCCOCCCCC(=O)C 34a_200011021034_100009817362 [0,1,0,0,0,0|2,0,0]=3 3194 B17R0.170 CCCCC(C)CCCCOCCCCC(=O)C 7a_200011021034_100000735457 [0,1,0,0,0,0|2,0,0]=3 3195 B17R0.170 CCCCC(C)CCCCOCCCOC(=O)C 34a_200011021034_100000042594 [0,1,0,0,0,0|3,0,0]=4 3196 B17R0.170 CCCCC(C)CCCCOCCCOC(=O)C 7a_200011021034_100000042594 [0,1,0,0,0,0|3,0,0]=4 3197 B17R0.170 CCCCC(C)CCCCOCCCSC(=O)C 34a_200011021034_100000038929 [0,1,0,0,0,0|3,0,0]=4 3198 B17R0.170 CCCCC(C)CCCCOCCCSC(=O)C 7a_200011021034_100000038929 [0,1,0,0,0,0|3,0,0]=4 3199 B17R0.170 CCCCC(C)CCCCOCCOCC(=O)N 34a_200011021034_100000076697 [0,1,0,0,0,0|3,0,0]=4 3200 B17R0.170 CCCCC(C)CCCCOCCOCC(=O)N 7a_200011021034_100000076697 [0,1,0,0,0,0|3,0,0]=4 3201 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_200011218191 [0,1,0,0,0,0|3,0,0]=4 3202 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211708 [0,1,0,0,0,0|3,0,0]=4 3203 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_200011218191 [0,1,0,0,0,0|3,0,0]=4 3204 B17R0.179 CCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211708 [0,1,0,0,0,0|3,0,0]=4 3205 B17R0.179 CCCCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_200011218191 [0,1,0,0,0,0|3,0,0]=4 3206 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [0,1,0,0,0,0|2,0,1]=4 3207 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [0,1,0,0,0,0|2,0,1]=4 3208 B17R0.192 C=C(C)CCC(C)NCCCCCCCCCC 270004a_100000684558_100011215600 [0,1,0,0,0,0|3,0,0]=4 3209 B17R0.192 C=C(C)COC(C)CCCCCCCCCCC 34a_100011217895_100000748629 [0,1,0,0,0,0|3,0,0]=4 3210 B17R0.192 C=C(C)COC(C)CCCCCCCCCCC 7a_100011217895_100000748629 [0,1,0,0,0,0|3,0,0]=4 3211 B17R0.192 C=C(F)COC(C)CCCCCCCCCCC 34a_100011217895_100009893438 [0,1,0,0,0,0|3,0,0]=4 3212 B17R0.192 C=C(F)COC(C)CCCCCCCCCCC 7a_100011217895_100000042424 [0,1,0,0,0,0|3,0,0]=4 3213 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,1,0,0,0,0|1,0,1]=3 3214 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [0,1,0,0,0,0|1,0,2]=4 3215 B17R0.192 CCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215454 [0,1,0,0,0,0|1,0,2]=4 3216 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,1,0,0,0,0|2,0,1]=4 3217 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215454 [0,1,0,0,0,0|2,0,1]=4 3218 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,1,0,0,0,0|2,0,1]=4 3219 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,1,0,0,0,0|2,0,1]=4 3220 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,1,0,0,0,0|2,0,1]=4 3221 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210736 [0,1,0,0,0,0|2,0,1]=4 3222 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210736 [0,1,0,0,0,0|2,0,1]=4 3223 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,1,0,0,0,0|2,0,1]=4 3224 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,1,0,0,0,0|2,0,1]=4 3225 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [0,1,0,0,0,0|2,0,1]=4 3226 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 34a_100011217895_100000187820 [0,1,0,0,0,0|2,0,0]=3 3227 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 7a_100011217895_100000187820 [0,1,0,0,0,0|2,0,0]=3 3228 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011217895_100020667443 [0,1,0,0,0,0|1,0,1]=3 3229 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [0,1,0,0,0,0|2,0,1]=4 3230 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [0,1,0,0,0,0|2,0,1]=4 3231 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [0,1,0,0,0,0|2,0,1]=4 3232 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [0,1,0,0,0,0|2,0,1]=4 3233 B17R0.192 CCCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011217895_100000761209 [0,1,0,0,0,0|2,0,1]=4 3234 B17R0.192 CCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215454 [0,1,0,0,0,0|2,0,0]=3 3235 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 240690a_100000684558_100011215257 [0,1,0,0,0,0|2,0,1]=4 3236 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 527a_100000684558_100011215257 [0,1,0,0,0,0|2,0,1]=4 3237 B17R0.192 CCCCCCCCCCNC(C)COC(=O)C 270004a_100000684558_100000000629 [0,1,0,0,0,0|3,0,0]=4 3238 B17R0.192 CCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210670 [0,1,0,0,0,0|2,0,1]=4 3239 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 2230a_100000212291_200000116872 [0,1,0,0,0,0|3,0,0]=4 3240 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 34a_100000212291_200000116872 [0,1,0,0,0,0|3,0,0]=4 3241 B17R0.192 CCCCCCCCCNCC(O)COC(=O)C 34a_100000212291_200000139349 [0,1,0,0,0,0|3,0,0]=4 3242 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 34a_100000210712_200000116872 [0,1,0,0,0,0|3,0,0]=4 3243 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 7a_100000210712_200000116872 [0,1,0,0,0,0|3,0,0]=4 3244 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 34a_100000210712_200000139349 [0,1,0,0,0,0|3,0,0]=4 3245 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 7a_100000210712_200000139349 [0,1,0,0,0,0|3,0,0]=4 3246 B17R0.192 CCCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210670 [0,1,0,0,0,0|3,0,0]=4 3247 B17R0.192 CCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210670 [0,1,0,0,0,0|3,0,0]=4 3248 B17R0.192 CCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210759 [0,1,0,0,0,0|2,0,1]=4 3249 B17R0.192 CN(CCCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009813290 [0,1,0,0,0,0|3,0,0]=4 3250 B17R0.192 NC(=O)CCC(=O)CCCCCCCCCCO 1458a_100011215257_100009813290 [0,1,0,0,0,0|2,0,1]=4 3251 B17R0.195 C#CC(=O)CCCCCCCCCCCCCC 1458a_100000211873_100011215471 [0,1,0,0,0,0|1,0,0]=2 3252 B17R0.195 C#CC(=O)CCCCCCCCCCCCCO 1458a_100000211873_100009812470 [0,1,0,0,0,0|2,0,0]=3 3253 B17R0.195 C#CC(O)CCCCCNCCCCCCCC 2230a_100000229939_200010408556 [0,1,0,0,0,0|2,0,1]=4 3254 B17R0.195 C#CC(O)CCCCCNCCCCCCCC 34a_100000229939_200010408556 [0,1,0,0,0,0|2,0,1]=4 3255 B17R0.195 C#CC(O)CCCCCOCCCCCCCC 34a_100000210232_200010408556 [0,1,0,0,0,0|2,0,1]=4 3256 B17R0.195 C#CC(O)CCCCCOCCCCCCCC 7a_100000210232_200010408556 [0,1,0,0,0,0|2,0,1]=4 3257 B17R0.195 C#CC(O)CCCCCSCCCCCCCC 62a_100000210759_200010408556 [0,1,0,0,0,0|2,0,1]=4 3258 B17R0.195 C#CC(O)CCCCCSCCCCCCCC 62a_200010408556_100000210317 [0,1,0,0,0,0|2,0,1]=4 3259 B17R0.195 C#CCCCCCCCCCCOCC(=O)OC 34a_100000054667_100000747449 [0,1,0,0,0,0|1,0,2]=4 3260 B17R0.195 C#CCCCCCCCCCCOCC(=O)OC 7a_100000054667_100000747449 [0,1,0,0,0,0|1,0,2]=4 3261 B17R0.195 C#CCCCCCCCCCOCCC(=O)OC 34a_100000034437_100000742370 [0,1,0,0,0,0|1,0,2]=4 3262 B17R0.195 C#CCCCCCCCCCOCCC(=O)OC 7a_100000034437_100000204255 [0,1,0,0,0,0|1,0,2]=4 3263 B17R0.195 C#CCCCCCCCCOCCCC(=O)OC 34a_100000065265_100000742333 [0,1,0,0,0,0|1,0,2]=4 3264 B17R0.195 C#CCCCCCCCCOCCCC(=O)OC 7a_100000065265_100011218270 [0,1,0,0,0,0|1,0,2]=4 3265 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 34a_100000054614_100000204269 [0,1,0,0,0,0|1,0,2]=4 3266 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100153394163 [0,1,0,0,0,0|1,0,2]=4 3267 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 7a_100000054614_100000204269 [0,1,0,0,0,0|1,0,2]=4 3268 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100153394163 [0,1,0,0,0,0|1,0,2]=4 3269 B17R0.195 C#CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100153394163 [0,1,0,0,0,0|1,0,2]=4 3270 B17R0.195 C#CCCCCCCCSCCCCC(=O)OC 62a_100153394163_100000204269 [0,1,0,0,0,0|1,0,2]=4 3271 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100012276617 [0,1,0,0,0,0|1,0,2]=4 3272 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 34a_100011217361_100009816466 [0,1,0,0,0,0|1,0,2]=4 3273 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100012276617 [0,1,0,0,0,0|1,0,2]=4 3274 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 7a_100011217361_100009816466 [0,1,0,0,0,0|1,0,2]=4 3275 B17R0.195 C#CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100012276617 [0,1,0,0,0,0|1,0,2]=4 3276 B17R0.195 C#CCCCCCCSCCCCCC(=O)OC 62a_100012276617_100009816466 [0,1,0,0,0,0|1,0,2]=4 3277 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 34a_100000766912_100009815986 [0,1,0,0,0,0|1,0,2]=4 3278 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100012094781 [0,1,0,0,0,0|1,0,2]=4 3279 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 7a_100000766912_100009815986 [0,1,0,0,0,0|1,0,2]=4 3280 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100012094781 [0,1,0,0,0,0|1,0,2]=4 3281 B17R0.195 C#CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100012094781 [0,1,0,0,0,0|1,0,2]=4 3282 B17R0.195 C#CCCCCCSCCCCCCC(=O)OC 62a_100012094781_100009815986 [0,1,0,0,0,0|1,0,2]=4 3283 B17R0.195 C#CCCCCNCCCCCCCC(=O)OC 2230a_100000706060_100010004213 [0,1,0,0,0,0|1,0,2]=4 3284 B17R0.195 C#CCCCCNCCCCCCCC(=O)OC 34a_100000706060_100010004213 [0,1,0,0,0,0|1,0,2]=4 3285 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 34a_100000766709_100010004213 [0,1,0,0,0,0|1,0,2]=4 3286 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100010269958 [0,1,0,0,0,0|1,0,2]=4 3287 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 7a_100000766709_100010004213 [0,1,0,0,0,0|1,0,2]=4 3288 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100010269958 [0,1,0,0,0,0|1,0,2]=4 3289 B17R0.195 C#CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100010269958 [0,1,0,0,0,0|1,0,2]=4 3290 B17R0.195 C#CCCCCSCCCCCCCC(=O)OC 62a_100010269958_100010004213 [0,1,0,0,0,0|1,0,2]=4 3291 B17R0.195 C#CCCCNCCCCCCCCC(=O)OC 34a_100000718082_100010282707 [0,1,0,0,0,0|1,0,2]=4 3292 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000695029 [0,1,0,0,0,0|1,0,2]=4 3293 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 34a_100000215630_100010282707 [0,1,0,0,0,0|1,0,2]=4 3294 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215417 [0,1,0,0,0,0|1,0,2]=4 3295 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 7a_100000215630_100010282707 [0,1,0,0,0,0|1,0,2]=4 3296 B17R0.195 C#CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215417 [0,1,0,0,0,0|1,0,2]=4 3297 B17R0.195 C#CCCCSCCCCCCCCC(=O)OC 62a_100011215417_100010282707 [0,1,0,0,0,0|1,0,2]=4 3298 B17R0.195 C#CCCNCCCCCCCCCC(=O)OC 34a_100000755551_100009813843 [0,1,0,0,0,0|1,0,2]=4 3299 B17R0.195 C#CCCOCCCCCCCCCC(=O)OC 34a_100011215631_100009813843 [0,1,0,0,0,0|1,0,2]=4 3300 B17R0.195 C#CCCSCCCCCCCCCC(=O)OC 62a_100000688953_100009813843 [0,1,0,0,0,0|1,0,2]=4 3301 B17R0.195 C#CCNCCCCCCCCCCC(=O)OC 34a_100000212058_100009812566 [0,1,0,0,0,0|1,0,2]=4 3302 B17R0.195 C#CCOCCCCCCCCCCC(=O)OC 34a_100000210247_100009812566 [0,1,0,0,0,0|1,0,2]=4 3303 B17R0.195 C#CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000184674 [0,1,0,0,0,0|1,0,2]=4 3304 B17R0.195 C#CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000038162 [0,1,0,0,0,0|1,0,2]=4 3305 B17R0.195 C#CCSCCCCCCCCCCC(=O)OC 62a_100000038162_100009812566 [0,1,0,0,0,0|1,0,2]=4 3306 B17R0.195 C/C=C/CCOCCCCCCCCC(=O)OC 34a_100016278192_100010282707 [0,1,0,0,0,0|1,0,2]=4 3307 B17R0.195 C/C=C/COCCCCCCCCCC(=O)OC 34a_100016270725_100009813843 [0,1,0,0,0,0|1,0,2]=4 3308 B17R0.195 C/C=C/CSCCCCCCCCCC(=O)OC 62a_100102629194_100009813843 [0,1,0,0,0,0|1,0,2]=4 3309 B17R0.195 C=C(C#N)CNCCCCCCCCCCCC 2230a_100000210451_100000694840 [0,1,0,0,0,0|3,0,0]=4 3310 B17R0.195 C=C(C#N)CNCCCCCCCCCCCC 34a_100000210451_100000694840 [0,1,0,0,0,0|3,0,0]=4 3311 B17R0.195 C=C(C#N)COCCCCCCCCCCCC 34a_100000210810_100000694840 [0,1,0,0,0,0|3,0,0]=4 3312 B17R0.195 C=CC(=O)CCCCCCCCCCCCCC 1458a_100000185746_100011215471 [0,1,0,0,0,0|1,0,0]=2 3313 B17R0.195 C=CC(=O)CCCCCCCCCCCCCO 1458a_100000185746_100009812470 [0,1,0,0,0,0|2,0,0]=3 3314 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185746 [0,1,0,0,0,0|2,0,0]=3 3315 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 240690a_100011215765_200121576911 [0,1,0,0,0,0|2,0,0]=3 3316 B17R0.195 C=CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_200121576911 [0,1,0,0,0,0|3,0,0]=4 3317 B17R0.195 C=CC(=O)NCCCCOCCCCCCCC 34a_100014118770_100000210759 [0,1,0,0,0,0|3,0,0]=4 3318 B17R0.195 C=CC(=O)NCCNCCCCCCCCCC 2230a_114873766552_100000210320 [0,1,0,0,0,0|3,0,0]=4 3319 B17R0.195 C=CC(=O)NCCOCCCCCCCCCC 34a_100011304386_100000210320 [0,1,0,0,0,0|3,0,0]=4 3320 B17R0.195 C=CC(=O)OCCCCCCNCCCCCC 2230a_100000210581_100009894100 [0,1,0,0,0,0|3,0,0]=4 3321 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 34a_100000210259_100009894100 [0,1,0,0,0,0|3,0,0]=4 3322 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 7a_100000210259_100009894100 [0,1,0,0,0,0|3,0,0]=4 3323 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100000210314_100009894100 [0,1,0,0,0,0|3,0,0]=4 3324 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100009894100_100000210757 [0,1,0,0,0,0|3,0,0]=4 3325 B17R0.195 C=CC(=O)OCCCCCOCCCCCCC 7a_200011023508_100000210614 [0,1,0,0,0,0|3,0,0]=4 3326 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 2230a_100000684558_100009813456 [0,1,0,0,0,0|3,0,0]=4 3327 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 34a_100000684558_100009813456 [0,1,0,0,0,0|3,0,0]=4 3328 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 34a_100000210711_100009813456 [0,1,0,0,0,0|3,0,0]=4 3329 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 7a_100000210711_100009813456 [0,1,0,0,0,0|3,0,0]=4 3330 B17R0.195 C=CC(=O)OCCSCCCCCCCCCC 62a_100009813456_100000210320 [0,1,0,0,0,0|3,0,0]=4 3331 B17R0.195 C=CC(O)CNCCCCCCCCCCCC 2230a_100000210451_100000730141 [0,1,0,0,0,0|2,0,1]=4 3332 B17R0.195 C=CC(O)CNCCCCCCCCCCCC 34a_100000210451_100000730141 [0,1,0,0,0,0|2,0,1]=4 3333 B17R0.195 C=CC(O)COCCCCCCCCCCCC 34a_100000210810_100000730141 [0,1,0,0,0,0|2,0,1]=4 3334 B17R0.195 C=CC(O)COCCCCCCCCCCCC 7a_100000210810_100000730141 [0,1,0,0,0,0|2,0,1]=4 3335 B17R0.195 C=CC(O)CSCCCCCCCCCCCC 62a_100000730141_100000759014 [0,1,0,0,0,0|2,0,1]=4 3336 B17R0.195 C=CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011093070 [0,1,0,0,0,0|1,0,2]=4 3337 B17R0.195 C=CCCCCCCCCCCSCC(=O)OC 62a_100011093070_100000747449 [0,1,0,0,0,0|1,0,2]=4 3338 B17R0.195 C=CCCCCCCCCCNCCC(=O)OC 2230a_100000081888_100000204255 [0,1,0,0,0,0|1,0,2]=4 3339 B17R0.195 C=CCCCCCCCCCNCCC(=O)OC 34a_100000081888_100000742370 [0,1,0,0,0,0|1,0,2]=4 3340 B17R0.195 C=CCCCCCCCCCOCCC(=O)OC 34a_100000038209_100000742370 [0,1,0,0,0,0|1,0,2]=4 3341 B17R0.195 C=CCCCCCCCCCOCCC(=O)OC 7a_100000038209_100000204255 [0,1,0,0,0,0|1,0,2]=4 3342 B17R0.195 C=CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100009814027 [0,1,0,0,0,0|1,0,2]=4 3343 B17R0.195 C=CCCCCCCCCCSCCC(=O)OC 62a_100009814027_100000204255 [0,1,0,0,0,0|1,0,2]=4 3344 B17R0.195 C=CCCCCCCCCOCCCC(=O)OC 34a_100011215194_100000742333 [0,1,0,0,0,0|1,0,2]=4 3345 B17R0.195 C=CCCCCCCCCOCCCC(=O)OC 7a_100011215194_100011218270 [0,1,0,0,0,0|1,0,2]=4 3346 B17R0.195 C=CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011933949 [0,1,0,0,0,0|1,0,2]=4 3347 B17R0.195 C=CCCCCCCCCSCCCC(=O)OC 62a_100011933949_100011218270 [0,1,0,0,0,0|1,0,2]=4 3348 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100012355270 [0,1,0,0,0,0|1,0,2]=4 3349 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 34a_100000730831_100000204269 [0,1,0,0,0,0|1,0,2]=4 3350 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100012355270 [0,1,0,0,0,0|1,0,2]=4 3351 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 7a_100000730831_100000204269 [0,1,0,0,0,0|1,0,2]=4 3352 B17R0.195 C=CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100012355270 [0,1,0,0,0,0|1,0,2]=4 3353 B17R0.195 C=CCCCCCCCSCCCCC(=O)OC 62a_100012355270_100000204269 [0,1,0,0,0,0|1,0,2]=4 3354 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011215473 [0,1,0,0,0,0|1,0,2]=4 3355 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 34a_200011216477_100009816466 [0,1,0,0,0,0|1,0,2]=4 3356 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100011215473 [0,1,0,0,0,0|1,0,2]=4 3357 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 7a_200011216477_100009816466 [0,1,0,0,0,0|1,0,2]=4 3358 B17R0.195 C=CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100011215473 [0,1,0,0,0,0|1,0,2]=4 3359 B17R0.195 C=CCCCCCCSCCCCCC(=O)OC 62a_100011215473_100009816466 [0,1,0,0,0,0|1,0,2]=4 3360 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000700193 [0,1,0,0,0,0|1,0,2]=4 3361 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 34a_100011216702_100009815986 [0,1,0,0,0,0|1,0,2]=4 3362 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000700193 [0,1,0,0,0,0|1,0,2]=4 3363 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 7a_100011216702_100009815986 [0,1,0,0,0,0|1,0,2]=4 3364 B17R0.195 C=CCCCCCSCCCCCCC(=O)OC 62a_100000700193_100009815986 [0,1,0,0,0,0|1,0,2]=4 3365 B17R0.195 C=CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000700193 [0,1,0,0,0,0|1,0,2]=4 3366 B17R0.195 C=CCCCCNCCCCCCCC(=O)OC 2230a_100000703577_100010004213 [0,1,0,0,0,0|1,0,2]=4 3367 B17R0.195 C=CCCCCNCCCCCCCC(=O)OC 34a_100000703577_100010004213 [0,1,0,0,0,0|1,0,2]=4 3368 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 34a_100000766645_100010004213 [0,1,0,0,0,0|1,0,2]=4 3369 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100011215482 [0,1,0,0,0,0|1,0,2]=4 3370 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 7a_100000766645_100010004213 [0,1,0,0,0,0|1,0,2]=4 3371 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100011215482 [0,1,0,0,0,0|1,0,2]=4 3372 B17R0.195 C=CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100011215482 [0,1,0,0,0,0|1,0,2]=4 3373 B17R0.195 C=CCCCCSCCCCCCCC(=O)OC 62a_100011215482_100010004213 [0,1,0,0,0,0|1,0,2]=4 3374 B17R0.195 C=CCCCNCCCCCCCCC(=O)OC 2230a_100000700776_100010282707 [0,1,0,0,0,0|1,0,2]=4 3375 B17R0.195 C=CCCCNCCCCCCCCC(=O)OC 34a_100000700776_100010282707 [0,1,0,0,0,0|1,0,2]=4 3376 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000757094 [0,1,0,0,0,0|1,0,2]=4 3377 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 34a_100000758997_100010282707 [0,1,0,0,0,0|1,0,2]=4 3378 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000757094 [0,1,0,0,0,0|1,0,2]=4 3379 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 7a_100000758997_100010282707 [0,1,0,0,0,0|1,0,2]=4 3380 B17R0.195 C=CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000757094 [0,1,0,0,0,0|1,0,2]=4 3381 B17R0.195 C=CCCCSCCCCCCCCC(=O)OC 62a_100011713584_100010282707 [0,1,0,0,0,0|1,0,2]=4 3382 B17R0.195 C=CCCNCCCCCCCCCC(=O)OC 2230a_100015191253_100009813843 [0,1,0,0,0,0|1,0,2]=4 3383 B17R0.195 C=CCCOCCCCCCCCCC(=O)OC 34a_100011205117_100009813843 [0,1,0,0,0,0|1,0,2]=4 3384 B17R0.195 C=CCCSCCCCCCCCCC(=O)OC 62a_100000754431_100009813843 [0,1,0,0,0,0|1,0,2]=4 3385 B17R0.195 C=CCNCCCCCCCCCCC(=O)OC 2230a_100020586998_100009812566 [0,1,0,0,0,0|1,0,2]=4 3386 B17R0.195 C=CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100015514636 [0,1,0,0,0,0|1,0,2]=4 3387 B17R0.195 C=CCOCCCCCCCCCCC(=O)OC 34a_200000210373_100009812566 [0,1,0,0,0,0|1,0,2]=4 3388 B17R0.195 C=CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100015514636 [0,1,0,0,0,0|1,0,2]=4 3389 B17R0.195 C=CCSCCCCCCCCCCC(=O)OC 62a_100000210623_100009812566 [0,1,0,0,0,0|1,0,2]=4 3390 B17R0.195 CC#CCCOCCCCCCCCC(=O)OC 34a_100000750427_100010282707 [0,1,0,0,0,0|1,0,2]=4 3391 B17R0.195 CC#CCNCCCCCCCCCC(=O)OC 2230a_100000685387_100009813843 [0,1,0,0,0,0|1,0,2]=4 3392 B17R0.195 CC#CCNCCCCCCCCCC(=O)OC 34a_100000685387_100009813843 [0,1,0,0,0,0|1,0,2]=4 3393 B17R0.195 CC#CCOCCCCCCCCCC(=O)OC 34a_100000761923_100009813843 [0,1,0,0,0,0|1,0,2]=4 3394 B17R0.195 CC#CCSCCCCCCCCCC(=O)OC 62a_100000748600_100009813843 [0,1,0,0,0,0|1,0,2]=4 3395 B17R0.195 CC/C=C/CCCOCCCCCCC(=O)OC 34a_100016287902_100009815986 [0,1,0,0,0,0|1,0,2]=4 3396 B17R0.195 CC/C=C/CCCOCCCCCCC(=O)OC 7a_100016287902_100009815986 [0,1,0,0,0,0|1,0,2]=4 3397 B17R0.195 CC/C=C\CCCCCOCCCCC(=O)OC 34a_100016268722_100000204269 [0,1,0,0,0,0|1,0,2]=4 3398 B17R0.195 CC/C=C\CCCCCOCCCCC(=O)OC 7a_100016268722_100000204269 [0,1,0,0,0,0|1,0,2]=4 3399 B17R0.195 CC/C=C\CCCCOCCCCCC(=O)OC 34a_100016287862_100009816466 [0,1,0,0,0,0|1,0,2]=4 3400 B17R0.195 CC/C=C\CCCCOCCCCCC(=O)OC 7a_100016287862_100009816466 [0,1,0,0,0,0|1,0,2]=4 3401 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 34a_100011022521_100015370543 [0,1,0,0,0,0|1,0,2]=4 3402 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 34a_100016288707_100010004213 [0,1,0,0,0,0|1,0,2]=4 3403 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 7a_100011022521_100015370543 [0,1,0,0,0,0|1,0,2]=4 3404 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 7a_100016288707_100010004213 [0,1,0,0,0,0|1,0,2]=4 3405 B17R0.195 CC/C=C\CCSCCCCCCCC(=O)OC 62a_100010004213_100015370543 [0,1,0,0,0,0|1,0,2]=4 3406 B17R0.195 CC/C=C\CCSCCCCCCCC(=O)OC 62a_100015370543_100010004213 [0,1,0,0,0,0|1,0,2]=4 3407 B17R0.195 CC/C=C\COCCCCCCCCC(=O)OC 34a_100000035544_100103147603 [0,1,0,0,0,0|1,0,2]=4 3408 B17R0.195 CC/C=C\COCCCCCCCCC(=O)OC 34a_100016268518_100010282707 [0,1,0,0,0,0|1,0,2]=4 3409 B17R0.195 CC/C=C\COCCCCCCCCC(=O)OC 7a_100000035544_100103147603 [0,1,0,0,0,0|1,0,2]=4 3410 B17R0.195 CC/C=C\CSCCCCCCCCC(=O)OC 62a_100010282707_100103147603 [0,1,0,0,0,0|1,0,2]=4 3411 B17R0.195 CC/C=C\CSCCCCCCCCC(=O)OC 62a_100103147603_100010282707 [0,1,0,0,0,0|1,0,2]=4 3412 B17R0.195 CC=CCCCOCCCCCCCC(=O)OC 34a_100020645299_100010004213 [0,1,0,0,0,0|1,0,2]=4 3413 B17R0.195 CC=CCSCCCCCCCCCC(=O)OC 62a_100000070051_100009813843 [0,1,0,0,0,0|1,0,2]=4 3414 B17R0.195 CCC#CCCCCCCCCOCC(=O)OC 34a_200000031908_100000747449 [0,1,0,0,0,0|1,0,2]=4 3415 B17R0.195 CCC#CCCCCCCCCOCC(=O)OC 7a_200000031908_100000747449 [0,1,0,0,0,0|1,0,2]=4 3416 B17R0.195 CCC#CCCCCCCSCCCC(=O)OC 62a_100011218270_200000036426 [0,1,0,0,0,0|1,0,2]=4 3417 B17R0.195 CCC#CCCCCCCSCCCC(=O)OC 62a_200000036426_100011218270 [0,1,0,0,0,0|1,0,2]=4 3418 B17R0.195 CCC#CCCOCCCCCCCC(=O)OC 34a_100000036655_100010004213 [0,1,0,0,0,0|1,0,2]=4 3419 B17R0.195 CCC#CCCOCCCCCCCC(=O)OC 7a_100000036655_100010004213 [0,1,0,0,0,0|1,0,2]=4 3420 B17R0.195 CCC#CCOCCCCCCCCC(=O)OC 34a_100000032950_100010282707 [0,1,0,0,0,0|1,0,2]=4 3421 B17R0.195 CCC#CCOCCCCCCCCC(=O)OC 34a_100000035544_100009813939 [0,1,0,0,0,0|1,0,2]=4 3422 B17R0.195 CCC#CCOCCCCCCCCC(=O)OC 7a_100000035544_100009813939 [0,1,0,0,0,0|1,0,2]=4 3423 B17R0.195 CCC#CCSCCCCCCCCC(=O)OC 62a_100009813939_100010282707 [0,1,0,0,0,0|1,0,2]=4 3424 B17R0.195 CCC#CCSCCCCCCCCC(=O)OC 62a_100010282707_100009813939 [0,1,0,0,0,0|1,0,2]=4 3425 B17R0.195 CCC(=O)CCCCCCCCCCCCCO 1458a_100000210414_100009812470 [0,1,0,0,0,0|2,0,0]=3 3426 B17R0.195 CCC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747405 [0,1,0,0,0,0|3,0,0]=4 3427 B17R0.195 CCC(=O)COCCCCCCCCCCCO 34a_100000725409_100009812471 [0,1,0,0,0,0|3,0,0]=4 3428 B17R0.195 CCC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747405 [0,1,0,0,0,0|3,0,0]=4 3429 B17R0.195 CCC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210414 [0,1,0,0,0,0|3,0,0]=4 3430 B17R0.195 CCC/C=C/COCCCCCCCC(=O)OC 34a_100016278788_100010004213 [0,1,0,0,0,0|1,0,2]=4 3431 B17R0.195 CCC/C=C/COCCCCCCCC(=O)OC 7a_100016278788_100010004213 [0,1,0,0,0,0|1,0,2]=4 3432 B17R0.195 CCCC#CCCOCCCCCCC(=O)OC 34a_100000042726_100009815986 [0,1,0,0,0,0|1,0,2]=4 3433 B17R0.195 CCCC#CCCOCCCCCCC(=O)OC 7a_100000042726_100009815986 [0,1,0,0,0,0|1,0,2]=4 3434 B17R0.195 CCCC#CCOCCCCCCCC(=O)OC 34a_100000034806_100010004213 [0,1,0,0,0,0|1,0,2]=4 3435 B17R0.195 CCCC#CCOCCCCCCCC(=O)OC 7a_100000034806_100010004213 [0,1,0,0,0,0|1,0,2]=4 3436 B17R0.195 CCCC/C=C/CCCCOCCCC(=O)OC 34a_200020645093_100000742333 [0,1,0,0,0,0|1,0,2]=4 3437 B17R0.195 CCCC/C=C/CCCCOCCCC(=O)OC 7a_200020645093_100011218270 [0,1,0,0,0,0|1,0,2]=4 3438 B17R0.195 CCCC/C=C/COCCCCCCC(=O)OC 34a_200016272032_100009815986 [0,1,0,0,0,0|1,0,2]=4 3439 B17R0.195 CCCC/C=C/COCCCCCCC(=O)OC 7a_200016272032_100009815986 [0,1,0,0,0,0|1,0,2]=4 3440 B17R0.195 CCCC/C=C\CCOCCCCCC(=O)OC 34a_200016286491_100009816466 [0,1,0,0,0,0|1,0,2]=4 3441 B17R0.195 CCCC/C=C\CCOCCCCCC(=O)OC 7a_200016286491_100009816466 [0,1,0,0,0,0|1,0,2]=4 3442 B17R0.195 CCCCC#CCCCCCCSCC(=O)OC 62a_100000747449_200000043322 [0,1,0,0,0,0|1,0,2]=4 3443 B17R0.195 CCCCC#CCCCCCCSCC(=O)OC 62a_200000043322_100000747449 [0,1,0,0,0,0|1,0,2]=4 3444 B17R0.195 CCCCC#CCCCCOCCCC(=O)OC 34a_200000066234_100000742333 [0,1,0,0,0,0|1,0,2]=4 3445 B17R0.195 CCCCC#CCCCCOCCCC(=O)OC 7a_200000066234_100011218270 [0,1,0,0,0,0|1,0,2]=4 3446 B17R0.195 CCCCC#CCCCOCCCCC(=O)OC 34a_100000059025_200000047210 [0,1,0,0,0,0|1,0,2]=4 3447 B17R0.195 CCCCC#CCCCOCCCCC(=O)OC 7a_100000059025_200000047210 [0,1,0,0,0,0|1,0,2]=4 3448 B17R0.195 CCCCC#CCCCSCCCCC(=O)OC 62a_100000204269_200000047210 [0,1,0,0,0,0|1,0,2]=4 3449 B17R0.195 CCCCC#CCCCSCCCCC(=O)OC 62a_200000047210_100000204269 [0,1,0,0,0,0|1,0,2]=4 3450 B17R0.195 CCCCC#CCCOCCCCCC(=O)OC 34a_100000037610_100009816466 [0,1,0,0,0,0|1,0,2]=4 3451 B17R0.195 CCCCC#CCCOCCCCCC(=O)OC 7a_100000037610_100009816466 [0,1,0,0,0,0|1,0,2]=4 3452 B17R0.195 CCCCC#CCOCCCCCCC(=O)OC 34a_200000034558_100009815986 [0,1,0,0,0,0|1,0,2]=4 3453 B17R0.195 CCCCC#CCOCCCCCCC(=O)OC 7a_200000034558_100009815986 [0,1,0,0,0,0|1,0,2]=4 3454 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 34a_100016258190_100009816466 [0,1,0,0,0,0|1,0,2]=4 3455 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 7a_100016258190_100009816466 [0,1,0,0,0,0|1,0,2]=4 3456 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 34a_100020655193_100000742333 [0,1,0,0,0,0|1,0,2]=4 3457 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 7a_100020655193_100011218270 [0,1,0,0,0,0|1,0,2]=4 3458 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 34a_100016277358_100000204269 [0,1,0,0,0,0|1,0,2]=4 3459 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 7a_100016277358_100000204269 [0,1,0,0,0,0|1,0,2]=4 3460 B17R0.195 CCCCCC#CCCOCCCCC(=O)OC 34a_200000042877_100000204269 [0,1,0,0,0,0|1,0,2]=4 3461 B17R0.195 CCCCCC#CCCOCCCCC(=O)OC 7a_200000042877_100000204269 [0,1,0,0,0,0|1,0,2]=4 3462 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 34a_100000074720_100009816472 [0,1,0,0,0,0|1,0,2]=4 3463 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 34a_200000033628_100009816466 [0,1,0,0,0,0|1,0,2]=4 3464 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 7a_100000074720_100009816472 [0,1,0,0,0,0|1,0,2]=4 3465 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 7a_200000033628_100009816466 [0,1,0,0,0,0|1,0,2]=4 3466 B17R0.195 CCCCCC#CCSCCCCCC(=O)OC 62a_100009816466_100009816472 [0,1,0,0,0,0|1,0,2]=4 3467 B17R0.195 CCCCCC#CCSCCCCCC(=O)OC 62a_100009816472_100009816466 [0,1,0,0,0,0|1,0,2]=4 3468 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 34a_200016276170_100000204269 [0,1,0,0,0,0|1,0,2]=4 3469 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 7a_200016276170_100000204269 [0,1,0,0,0,0|1,0,2]=4 3470 B17R0.195 CCCCCCC#CCCOCCCC(=O)OC 34a_200000033163_100000742333 [0,1,0,0,0,0|1,0,2]=4 3471 B17R0.195 CCCCCCC#CCCOCCCC(=O)OC 7a_200000033163_100011218270 [0,1,0,0,0,0|1,0,2]=4 3472 B17R0.195 CCCCCCC#CCOCCCCC(=O)OC 34a_200000037284_100000204269 [0,1,0,0,0,0|1,0,2]=4 3473 B17R0.195 CCCCCCC#CCOCCCCC(=O)OC 7a_200000037284_100000204269 [0,1,0,0,0,0|1,0,2]=4 3474 B17R0.195 CCCCCCCC#CCOCCCC(=O)OC 34a_200000061759_100000742333 [0,1,0,0,0,0|1,0,2]=4 3475 B17R0.195 CCCCCCCC#CCOCCCC(=O)OC 7a_200000061759_100011218270 [0,1,0,0,0,0|1,0,2]=4 3476 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 34a_200020667288_100000742370 [0,1,0,0,0,0|1,0,2]=4 3477 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 7a_200020667288_100000204255 [0,1,0,0,0,0|1,0,2]=4 3478 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 34a_100015232335_100000747449 [0,1,0,0,0,0|1,0,2]=4 3479 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 7a_100015232335_100000747449 [0,1,0,0,0,0|1,0,2]=4 3480 B17R0.195 CCCCCCCCCCCCCCC(=O)CF 1458a_100000297455_100015361967 [0,1,0,0,0,0|1,0,0]=2 3481 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [0,1,0,0,0,0|0,0,0]=1 3482 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [0,1,0,0,0,0|1,0,0]=2 3483 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [0,1,0,0,0,0|1,0,0]=2 3484 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [0,1,0,0,0,0|1,0,0]=2 3485 B17R0.195 CCCCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215471 [0,1,0,0,0,0|3,0,0]=4 3486 B17R0.195 CCCCCCCCCCCCCCN(C)CC 269982a_100000225621_100011215471 [0,1,0,0,0,0|3,0,0]=4 3487 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 11a_100011215765_100000210414 [0,1,0,0,0,0|2,0,0]=3 3488 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 1626a_100011215765_100000210414 [0,1,0,0,0,0|2,0,0]=3 3489 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 240690a_100011215765_100000210414 [0,1,0,0,0,0|2,0,0]=3 3490 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 527a_100011215765_100000210414 [0,1,0,0,0,0|2,0,0]=3 3491 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [0,1,0,0,0,0|1,0,0]=2 3492 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [0,1,0,0,0,0|1,0,0]=2 3493 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100011215765_106832991635 [0,1,0,0,0,0|2,0,0]=3 3494 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011215765 [0,1,0,0,0,0|2,0,0]=3 3495 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100011215765_100102657272 [0,1,0,0,0,0|2,0,0]=3 3496 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011215765 [0,1,0,0,0,0|2,0,0]=3 3497 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_100011215765_100102657272 [0,1,0,0,0,0|2,0,0]=3 3498 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011215765 [0,1,0,0,0,0|2,0,0]=3 3499 B17R0.195 CCCCCCCCCCCCCNC(C)CO 2230a_100011215765_100012180447 [0,1,0,0,0,0|2,0,1]=4 3500 B17R0.195 CCCCCCCCCCCCCNC(C)CO 34a_100011215765_100012180447 [0,1,0,0,0,0|2,0,1]=4 3501 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210684 [0,1,0,0,0,0|2,0,1]=4 3502 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_200011215488 [0,1,0,0,0,0|2,0,1]=4 3503 B17R0.195 CCCCCCCCCCCCCOC(C)CO 34a_100000185773_100012180447 [0,1,0,0,0,0|2,0,1]=4 3504 B17R0.195 CCCCCCCCCCCCCOC(C)CO 7a_100000185773_100012180447 [0,1,0,0,0,0|2,0,1]=4 3505 B17R0.195 CCCCCCCCCCCCCSC(C)CO 62a_100012180447_100011934334 [0,1,0,0,0,0|2,0,1]=4 3506 B17R0.195 CCCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011934334 [0,1,0,0,0,0|2,0,1]=4 3507 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000210451_100000183359 [0,1,0,0,0,0|2,0,0]=3 3508 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215052 [0,1,0,0,0,0|2,0,0]=3 3509 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_100011218549 [0,1,0,0,0,0|2,0,0]=3 3510 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 34a_100000210451_100000183359 [0,1,0,0,0,0|2,0,0]=3 3511 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [0,1,0,0,0,0|1,0,0]=2 3512 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [0,1,0,0,0,0|1,0,0]=2 3513 B17R0.195 CCCCCCCCCCCCNCC(C)CO 34a_100000744482_100000759014 [0,1,0,0,0,0|2,0,1]=4 3514 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100000210451_100011218378 [0,1,0,0,0,0|2,0,1]=4 3515 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215052 [0,1,0,0,0,0|2,0,1]=4 3516 B17R0.195 CCCCCCCCCCCCNCC(O)CC 270004a_100011218483_100011218549 [0,1,0,0,0,0|2,0,1]=4 3517 B17R0.195 CCCCCCCCCCCCNCC(O)CC 34a_100000210451_100011218378 [0,1,0,0,0,0|2,0,1]=4 3518 B17R0.195 CCCCCCCCCCCCNCC(O)CO 2230a_100000210451_100011219619 [0,1,0,0,0,0|1,0,2]=4 3519 B17R0.195 CCCCCCCCCCCCNCC(O)CO 34a_100000210451_100011219619 [0,1,0,0,0,0|1,0,2]=4 3520 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 2230a_100000210451_100000059175 [0,1,0,0,0,0|2,0,1]=4 3521 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 34a_100000210451_100000059175 [0,1,0,0,0,0|2,0,1]=4 3522 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215052 [0,1,0,0,0,0|2,0,1]=4 3523 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)OC 270004a_100020591295_100011218549 [0,1,0,0,0,0|2,0,1]=4 3524 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 270004a_100015665980_100011218549 [0,1,0,0,0,0|2,0,1]=4 3525 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000759014 [0,1,0,0,0,0|2,0,1]=4 3526 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 2230a_100000210451_100015614560 [0,1,0,0,0,0|2,0,1]=4 3527 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 34a_100000210451_100015614560 [0,1,0,0,0,0|2,0,1]=4 3528 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 2230a_100000210451_100009815848 [0,1,0,0,0,0|1,0,2]=4 3529 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 34a_100000210451_100009815848 [0,1,0,0,0,0|1,0,2]=4 3530 B17R0.195 CCCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215052 [0,1,0,0,0,0|1,0,2]=4 3531 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 34a_100000725409_100000759014 [0,1,0,0,0,0|2,0,0]=3 3532 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 7a_100000210810_100000747405 [0,1,0,0,0,0|2,0,0]=3 3533 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000210810_100000183359 [0,1,0,0,0,0|2,0,0]=3 3534 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000759014 [0,1,0,0,0,0|2,0,0]=3 3535 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 7a_100000210810_100000183359 [0,1,0,0,0,0|2,0,0]=3 3536 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [0,1,0,0,0,0|1,0,0]=2 3537 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [0,1,0,0,0,0|1,0,0]=2 3538 B17R0.195 CCCCCCCCCCCCOCC(C)OC 34a_100000690652_100000759014 [0,1,0,0,0,0|2,0,1]=4 3539 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [0,1,0,0,0,0|2,0,1]=4 3540 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [0,1,0,0,0,0|2,0,1]=4 3541 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [0,1,0,0,0,0|1,0,2]=4 3542 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [0,1,0,0,0,0|1,0,2]=4 3543 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [0,1,0,0,0,0|2,0,1]=4 3544 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [0,1,0,0,0,0|2,0,1]=4 3545 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 34a_100000210810_100015614560 [0,1,0,0,0,0|2,0,1]=4 3546 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 7a_100000210810_100015614560 [0,1,0,0,0,0|2,0,1]=4 3547 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [0,1,0,0,0,0|1,0,2]=4 3548 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [0,1,0,0,0,0|1,0,2]=4 3549 B17R0.195 CCCCCCCCCCCCSCC(=O)CC 62a_100000747405_100000759014 [0,1,0,0,0,0|2,0,0]=3 3550 B17R0.195 CCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100000759014 [0,1,0,0,0,0|2,0,0]=3 3551 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [0,1,0,0,0,0|1,0,0]=2 3552 B17R0.195 CCCCCCCCCCCCSCC(O)CC 62a_100011218378_100000759014 [0,1,0,0,0,0|2,0,1]=4 3553 B17R0.195 CCCCCCCCCCCCSCC(O)CO 62a_100011219619_100000759014 [0,1,0,0,0,0|1,0,2]=4 3554 B17R0.195 CCCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000759014 [0,1,0,0,0,0|2,0,1]=4 3555 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000759014 [0,1,0,0,0,0|2,0,1]=4 3556 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000759014 [0,1,0,0,0,0|1,0,2]=4 3557 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215454 [0,1,0,0,0,0|2,0,0]=3 3558 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_200011215754_100000737683 [0,1,0,0,0,0|2,0,0]=3 3559 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100011215454 [0,1,0,0,0,0|2,0,0]=3 3560 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_200011215754_100012179268 [0,1,0,0,0,0|2,0,0]=3 3561 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [0,1,0,0,0,0|1,0,0]=2 3562 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [0,1,0,0,0,0|1,0,0]=2 3563 B17R0.195 CCCCCCCCCCCNCCC(C)CO 2230a_106354213184_100011215454 [0,1,0,0,0,0|2,0,1]=4 3564 B17R0.195 CCCCCCCCCCCNCCC(C)CO 34a_106354213184_100011215454 [0,1,0,0,0,0|2,0,1]=4 3565 B17R0.195 CCCCCCCCCCCOCCC(=NO)N 34a_100000749954_100011215454 [0,1,0,0,0,0|2,0,0]=3 3566 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000210809_100012179268 [0,1,0,0,0,0|2,0,0]=3 3567 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100011215454 [0,1,0,0,0,0|2,0,0]=3 3568 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 7a_100000210809_100000737683 [0,1,0,0,0,0|2,0,0]=3 3569 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [0,1,0,0,0,0|1,0,0]=2 3570 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [0,1,0,0,0,0|1,0,0]=2 3571 B17R0.195 CCCCCCCCCCCOCCC(C)OC 7a_100000764861_100011215454 [0,1,0,0,0,0|2,0,1]=4 3572 B17R0.195 CCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100011215454 [0,1,0,0,0,0|2,0,0]=3 3573 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [0,1,0,0,0,0|1,0,0]=2 3574 B17R0.195 CCCCCCCCCCNC/C=C/C(=O)OC 2230a_100000684558_100000742655 [0,1,0,0,0,0|1,0,2]=4 3575 B17R0.195 CCCCCCCCCCNC/C=C/C(=O)OC 34a_100000684558_100000742655 [0,1,0,0,0,0|1,0,2]=4 3576 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000684558_100000741757 [0,1,0,0,0,0|2,0,0]=3 3577 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210320 [0,1,0,0,0,0|2,0,0]=3 3578 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000684558_100000741757 [0,1,0,0,0,0|2,0,0]=3 3579 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210320 [0,1,0,0,0,0|2,0,0]=3 3580 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [0,1,0,0,0,0|1,0,0]=2 3581 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [0,1,0,0,0,0|1,0,0]=2 3582 B17R0.195 CCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210320 [0,1,0,0,0,0|3,0,0]=4 3583 B17R0.195 CCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210320 [0,1,0,0,0,0|3,0,0]=4 3584 B17R0.195 CCCCCCCCCCNCCOC(=O)NC 34a_100000684558_200011997002 [0,1,0,0,0,0|3,0,0]=4 3585 B17R0.195 CCCCCCCCCCOC/C=C/C(=O)OC 34a_100000210711_100000742655 [0,1,0,0,0,0|1,0,2]=4 3586 B17R0.195 CCCCCCCCCCOC/C=C/C(=O)OC 7a_100000210711_100000742655 [0,1,0,0,0,0|1,0,2]=4 3587 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 34a_100000210711_100000741757 [0,1,0,0,0,0|2,0,0]=3 3588 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 7a_100000210711_100000741757 [0,1,0,0,0,0|2,0,0]=3 3589 B17R0.195 CCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210320 [0,1,0,0,0,0|2,0,0]=3 3590 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [0,1,0,0,0,0|1,0,0]=2 3591 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [0,1,0,0,0,0|1,0,0]=2 3592 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210320 [0,1,0,0,0,0|3,0,0]=4 3593 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210320 [0,1,0,0,0,0|3,0,0]=4 3594 B17R0.195 CCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210320 [0,1,0,0,0,0|2,0,0]=3 3595 B17R0.195 CCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210320 [0,1,0,0,0,0|3,0,0]=4 3596 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 34a_100000210711_200011997002 [0,1,0,0,0,0|3,0,0]=4 3597 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 7a_100000210711_200011997002 [0,1,0,0,0,0|3,0,0]=4 3598 B17R0.195 CCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210320 [0,1,0,0,0,0|2,0,0]=3 3599 B17R0.195 CCCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210320 [0,1,0,0,0,0|1,0,2]=4 3600 B17R0.195 CCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210320 [0,1,0,0,0,0|2,0,0]=3 3601 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [0,1,0,0,0,0|1,0,0]=2 3602 B17R0.195 CCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210320 [0,1,0,0,0,0|3,0,0]=4 3603 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [0,1,0,0,0,0|1,0,0]=2 3604 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [0,1,0,0,0,0|1,0,0]=2 3605 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [0,1,0,0,0,0|2,0,0]=3 3606 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [0,1,0,0,0,0|2,0,0]=3 3607 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [0,1,0,0,0,0|1,0,0]=2 3608 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [0,1,0,0,0,0|1,0,0]=2 3609 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [0,1,0,0,0,0|1,0,0]=2 3610 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [0,1,0,0,0,0|1,0,0]=2 3611 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [0,1,0,0,0,0|2,0,0]=3 3612 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [0,1,0,0,0,0|2,0,0]=3 3613 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [0,1,0,0,0,0|1,0,0]=2 3614 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [0,1,0,0,0,0|2,0,0]=3 3615 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [0,1,0,0,0,0|1,0,0]=2 3616 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [0,1,0,0,0,0|1,0,0]=2 3617 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [0,1,0,0,0,0|1,0,0]=2 3618 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [0,1,0,0,0,0|1,0,0]=2 3619 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [0,1,0,0,0,0|1,0,0]=2 3620 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [0,1,0,0,0,0|1,0,0]=2 3621 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [0,1,0,0,0,0|1,0,0]=2 3622 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [0,1,0,0,0,0|1,0,0]=2 3623 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [0,1,0,0,0,0|1,0,0]=2 3624 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [0,1,0,0,0,0|1,0,0]=2 3625 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [0,1,0,0,0,0|1,0,0]=2 3626 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [0,1,0,0,0,0|1,0,0]=2 3627 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [0,1,0,0,0,0|1,0,0]=2 3628 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [0,1,0,0,0,0|1,0,0]=2 3629 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [0,1,0,0,0,0|1,0,0]=2 3630 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [0,1,0,0,0,0|1,0,0]=2 3631 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [0,1,0,0,0,0|1,0,0]=2 3632 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [0,1,0,0,0,0|1,0,0]=2 3633 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [0,1,0,0,0,0|1,0,0]=2 3634 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [0,1,0,0,0,0|1,0,0]=2 3635 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 34a_100000691444_100000204269 [0,1,0,0,0,0|2,0,0]=3 3636 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 7a_100000691444_100000204269 [0,1,0,0,0,0|2,0,0]=3 3637 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 34a_100000032842_100000747449 [0,1,0,0,0,0|3,0,0]=4 3638 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 34a_100000691444_100000090808 [0,1,0,0,0,0|3,0,0]=4 3639 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 34a_100011023656_100000210314 [0,1,0,0,0,0|3,0,0]=4 3640 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 7a_100000032842_100000747449 [0,1,0,0,0,0|3,0,0]=4 3641 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 7a_100000691444_100000090808 [0,1,0,0,0,0|3,0,0]=4 3642 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210314 [0,1,0,0,0,0|3,0,0]=4 3643 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [0,1,0,0,0,0|1,0,0]=2 3644 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [0,1,0,0,0,0|1,0,0]=2 3645 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [0,1,0,0,0,0|1,0,0]=2 3646 B17R0.195 CCCCCNCCOCCCCCC(=O)OC 34a_100000224656_100009816466 [0,1,0,0,0,0|2,0,0]=3 3647 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [0,1,0,0,0,0|1,0,0]=2 3648 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [0,1,0,0,0,0|1,0,0]=2 3649 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [0,1,0,0,0,0|1,0,0]=2 3650 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [0,1,0,0,0,0|1,0,0]=2 3651 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 34a_100011215259_100009816466 [0,1,0,0,0,0|2,0,0]=3 3652 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 7a_100011215259_100009816466 [0,1,0,0,0,0|2,0,0]=3 3653 B17R0.195 CCCCCOCCOCCOCCC(=O)OC 34a_100010982084_100000718602 [0,1,0,0,0,0|3,0,0]=4 3654 B17R0.195 CCCCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210326 [0,1,0,0,0,0|3,0,0]=4 3655 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [0,1,0,0,0,0|1,0,0]=2 3656 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [0,1,0,0,0,0|1,0,0]=2 3657 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [0,1,0,0,0,0|1,0,0]=2 3658 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [0,1,0,0,0,0|1,0,0]=2 3659 B17R0.195 CCCCNCCCCOCCCCC(=O)OC 34a_200011216965_100000204269 [0,1,0,0,0,0|2,0,0]=3 3660 B17R0.195 CCCCNCCCCOCCOCC(=O)OC 34a_200011216965_100000090808 [0,1,0,0,0,0|3,0,0]=4 3661 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [0,1,0,0,0,0|1,0,0]=2 3662 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [0,1,0,0,0,0|1,0,0]=2 3663 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 34a_200000760531_100000204269 [0,1,0,0,0,0|2,0,0]=3 3664 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 7a_200000760531_100000204269 [0,1,0,0,0,0|2,0,0]=3 3665 B17R0.195 CCCCOCCCCOCCOCC(=O)OC 34a_200000760531_100000090808 [0,1,0,0,0,0|3,0,0]=4 3666 B17R0.195 CCCCOCCCCOCCOCC(=O)OC 7a_200000760531_100000090808 [0,1,0,0,0,0|3,0,0]=4 3667 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 2230a_200000211371_100009816466 [0,1,0,0,0,0|2,0,0]=3 3668 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 34a_200000211371_100009816466 [0,1,0,0,0,0|2,0,0]=3 3669 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 34a_200011215613_100009816466 [0,1,0,0,0,0|2,0,0]=3 3670 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 7a_200011215613_100009816466 [0,1,0,0,0,0|2,0,0]=3 3671 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 34a_100000210238_100009815986 [0,1,0,0,0,0|2,0,0]=3 3672 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 34a_100009863599_100000743108 [0,1,0,0,0,0|2,0,0]=3 3673 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 7a_100000210238_100009815986 [0,1,0,0,0,0|2,0,0]=3 3674 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 7a_100009863599_100000743108 [0,1,0,0,0,0|2,0,0]=3 3675 B17R0.195 CCCCOCCOCCOCCCC(=O)OC 34a_100011215186_100000742333 [0,1,0,0,0,0|3,0,0]=4 3676 B17R0.195 CCCCOCCOCCOCCCC(=O)OC 7a_100011215186_100011218270 [0,1,0,0,0,0|3,0,0]=4 3677 B17R0.195 CCCCOCCSCCCCCCC(=O)OC 62a_100000743108_100009815986 [0,1,0,0,0,0|2,0,0]=3 3678 B17R0.195 CCCCOCCSCCCCCCC(=O)OC 62a_100009815986_100000743108 [0,1,0,0,0,0|2,0,0]=3 3679 B17R0.195 CCCCOCOCCCCCCCC(=O)OC 34a_100011022521_100011995733 [0,1,0,0,0,0|2,0,0]=3 3680 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100010004213_100011995733 [0,1,0,0,0,0|2,0,0]=3 3681 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100011995733_100010004213 [0,1,0,0,0,0|2,0,0]=3 3682 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [0,1,0,0,0,0|1,0,0]=2 3683 B17R0.195 CCCCSCCNCCCCCCC(=O)OC 2230a_100025743550_100009815986 [0,1,0,0,0,0|2,0,0]=3 3684 B17R0.195 CCCCSCCOCCCCCCC(=O)OC 34a_200000230436_100009815986 [0,1,0,0,0,0|2,0,0]=3 3685 B17R0.195 CCCCSCCOCCCCCCC(=O)OC 7a_200000230436_100009815986 [0,1,0,0,0,0|2,0,0]=3 3686 B17R0.195 CCCNN=CCCCCCCCCC(=O)OC 4a_100000740057_200010166605 [0,1,0,0,0,0|2,0,1]=4 3687 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [0,1,0,0,0,0|1,0,0]=2 3688 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [0,1,0,0,0,0|1,0,0]=2 3689 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [0,1,0,0,0,0|1,0,0]=2 3690 B17R0.195 CCCOCCCNCCCCCCC(=O)OC 2230a_100011217757_100009815986 [0,1,0,0,0,0|2,0,0]=3 3691 B17R0.195 CCCOCCCNCCCCCCC(=O)OC 34a_100011217757_100009815986 [0,1,0,0,0,0|2,0,0]=3 3692 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 2230a_100161115042_100010004213 [0,1,0,0,0,0|2,0,0]=3 3693 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 34a_100161115042_100010004213 [0,1,0,0,0,0|2,0,0]=3 3694 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100000752267_100010004213 [0,1,0,0,0,0|2,0,0]=3 3695 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100011215938 [0,1,0,0,0,0|2,0,0]=3 3696 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100000752267_100010004213 [0,1,0,0,0,0|2,0,0]=3 3697 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215938 [0,1,0,0,0,0|2,0,0]=3 3698 B17R0.195 CCCOCCOCCNCCCCC(=O)OC 2230a_200011904461_100000204269 [0,1,0,0,0,0|3,0,0]=4 3699 B17R0.195 CCCOCCOCCNCCCCC(=O)OC 34a_200011904461_100000204269 [0,1,0,0,0,0|3,0,0]=4 3700 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215938 [0,1,0,0,0,0|2,0,0]=3 3701 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100011215938_100010004213 [0,1,0,0,0,0|2,0,0]=3 3702 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [0,1,0,0,0,0|1,0,0]=2 3703 B17R0.195 CCCSCCNCCCCCCCC(=O)OC 2230a_100020603323_100010004213 [0,1,0,0,0,0|2,0,0]=3 3704 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 34a_200000230433_100010004213 [0,1,0,0,0,0|2,0,0]=3 3705 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 7a_200000230433_100010004213 [0,1,0,0,0,0|2,0,0]=3 3706 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [0,1,0,0,0,0|1,0,0]=2 3707 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [0,1,0,0,0,0|1,0,0]=2 3708 B17R0.195 CCOCCCCCCCCCOCC(=O)CC 7a_100009875440_100000747405 [0,1,0,0,0,0|3,0,0]=4 3709 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 34a_100009875440_100000183359 [0,1,0,0,0,0|3,0,0]=4 3710 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 7a_100009875440_100000183359 [0,1,0,0,0,0|3,0,0]=4 3711 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 34a_100009875440_100000747449 [0,1,0,0,0,0|2,0,0]=3 3712 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 7a_100009875440_100000747449 [0,1,0,0,0,0|2,0,0]=3 3713 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 2230a_100000210961_100010004213 [0,1,0,0,0,0|2,0,0]=3 3714 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 34a_100000210961_100010004213 [0,1,0,0,0,0|2,0,0]=3 3715 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100000757476_100010004213 [0,1,0,0,0,0|2,0,0]=3 3716 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100011022521_100012232248 [0,1,0,0,0,0|2,0,0]=3 3717 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100000757476_100010004213 [0,1,0,0,0,0|2,0,0]=3 3718 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100011022521_100012232248 [0,1,0,0,0,0|2,0,0]=3 3719 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100010004213_100012232248 [0,1,0,0,0,0|2,0,0]=3 3720 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100012232248_100010004213 [0,1,0,0,0,0|2,0,0]=3 3721 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 2230a_102516460346_100010282707 [0,1,0,0,0,0|2,0,0]=3 3722 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 34a_102516460346_100010282707 [0,1,0,0,0,0|2,0,0]=3 3723 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210147 [0,1,0,0,0,0|2,0,0]=3 3724 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000210136_100010282707 [0,1,0,0,0,0|2,0,0]=3 3725 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215890 [0,1,0,0,0,0|2,0,0]=3 3726 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000210136_100010282707 [0,1,0,0,0,0|2,0,0]=3 3727 B17R0.195 CCOCCOCCNCCCCCC(=O)OC 2230a_100102712874_100009816466 [0,1,0,0,0,0|3,0,0]=4 3728 B17R0.195 CCOCCOCCNCCCCCC(=O)OC 34a_100102712874_100009816466 [0,1,0,0,0,0|3,0,0]=4 3729 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 34a_100000074720_100011211534 [0,1,0,0,0,0|3,0,0]=4 3730 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 34a_100000210240_100009816466 [0,1,0,0,0,0|3,0,0]=4 3731 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 7a_100000074720_100011211534 [0,1,0,0,0,0|3,0,0]=4 3732 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 7a_100000210240_100009816466 [0,1,0,0,0,0|3,0,0]=4 3733 B17R0.195 CCOCCOCCSCCCCCC(=O)OC 62a_100009816466_100011211534 [0,1,0,0,0,0|3,0,0]=4 3734 B17R0.195 CCOCCOCCSCCCCCC(=O)OC 62a_100011211534_100009816466 [0,1,0,0,0,0|3,0,0]=4 3735 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100000210147_100010282707 [0,1,0,0,0,0|2,0,0]=3 3736 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215890 [0,1,0,0,0,0|2,0,0]=3 3737 B17R0.195 CCOCSCCCCCCCCCC(=O)OC 62a_100000739092_100009813843 [0,1,0,0,0,0|2,0,0]=3 3738 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [0,1,0,0,0,0|1,0,0]=2 3739 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 34a_100011216438_100010004213 [0,1,0,0,0,0|2,0,0]=3 3740 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 7a_100011216438_100010004213 [0,1,0,0,0,0|2,0,0]=3 3741 B17R0.195 CCSCCNCCCCCCCCC(=O)OC 2230a_100000106463_100010282707 [0,1,0,0,0,0|2,0,0]=3 3742 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000035544_100000757381 [0,1,0,0,0,0|2,0,0]=3 3743 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000212035_100010282707 [0,1,0,0,0,0|2,0,0]=3 3744 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000035544_100000757381 [0,1,0,0,0,0|2,0,0]=3 3745 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000212035_100010282707 [0,1,0,0,0,0|2,0,0]=3 3746 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100000757381_100010282707 [0,1,0,0,0,0|2,0,0]=3 3747 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100010282707_100000757381 [0,1,0,0,0,0|2,0,0]=3 3748 B17R0.195 CNC(=O)CCCCCCCCCCCCCO 240690a_100102657272_100020644313 [0,1,0,0,0,0|2,0,0]=3 3749 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100000741757 [0,1,0,0,0,0|3,0,0]=4 3750 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 2230a_100000740002_100009813782 [0,1,0,0,0,0|3,0,0]=4 3751 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000741757 [0,1,0,0,0,0|3,0,0]=4 3752 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 34a_100000740002_100009813782 [0,1,0,0,0,0|3,0,0]=4 3753 B17R0.195 CNC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000741757 [0,1,0,0,0,0|3,0,0]=4 3754 B17R0.195 CNC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100000741757 [0,1,0,0,0,0|3,0,0]=4 3755 B17R0.195 CNC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000741757 [0,1,0,0,0,0|3,0,0]=4 3756 B17R0.195 CNC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100000741757 [0,1,0,0,0,0|3,0,0]=4 3757 B17R0.195 CNC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000741757 [0,1,0,0,0,0|3,0,0]=4 3758 B17R0.195 CNC(=O)CCCSCCCCCCCCCO 62a_100000741757_100009813782 [0,1,0,0,0,0|3,0,0]=4 3759 B17R0.195 CNC(=O)CCCSCCCCCCCCCO 62a_100009813782_100000741757 [0,1,0,0,0,0|3,0,0]=4 3760 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000737683 [0,1,0,0,0,0|3,0,0]=4 3761 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 2230a_100000738227_100009813290 [0,1,0,0,0,0|3,0,0]=4 3762 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 34a_100000066964_100012179268 [0,1,0,0,0,0|3,0,0]=4 3763 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 34a_100000738227_100009813290 [0,1,0,0,0,0|3,0,0]=4 3764 B17R0.195 CNC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100012179268 [0,1,0,0,0,0|3,0,0]=4 3765 B17R0.195 CNC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000737683 [0,1,0,0,0,0|3,0,0]=4 3766 B17R0.195 CNC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100012179268 [0,1,0,0,0,0|3,0,0]=4 3767 B17R0.195 CNC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000737683 [0,1,0,0,0,0|3,0,0]=4 3768 B17R0.195 CNC(=O)CCOCCCCCCCCCCN 34a_100000066964_100012179268 [0,1,0,0,0,0|3,0,0]=4 3769 B17R0.195 CNC(=O)CCOCCCCCCCCCCO 34a_100000754576_100009813290 [0,1,0,0,0,0|3,0,0]=4 3770 B17R0.195 CNC(=O)CCSCCCCCCCCCCO 62a_100000737683_200000033068 [0,1,0,0,0,0|3,0,0]=4 3771 B17R0.195 CNC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000737683 [0,1,0,0,0,0|3,0,0]=4 3772 B17R0.195 CNC(=O)CNCCCCCCCCCCCO 2230a_100000693194_100009812471 [0,1,0,0,0,0|3,0,0]=4 3773 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000183359 [0,1,0,0,0,0|3,0,0]=4 3774 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000183359 [0,1,0,0,0,0|3,0,0]=4 3775 B17R0.195 CNC(=O)COCCCCCCCCCCCO 34a_100000750040_100009812471 [0,1,0,0,0,0|3,0,0]=4 3776 B17R0.195 CNC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000183359 [0,1,0,0,0,0|3,0,0]=4 3777 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_106832991635 [0,1,0,0,0,0|3,0,0]=4 3778 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100102657272_100000066677 [0,1,0,0,0,0|3,0,0]=4 3779 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100102657272 [0,1,0,0,0,0|3,0,0]=4 3780 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100102657272_100000066677 [0,1,0,0,0,0|3,0,0]=4 3781 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100102657272 [0,1,0,0,0,0|3,0,0]=4 3782 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_106832991638_100000066677 [0,1,0,0,0,0|3,0,0]=4 3783 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [0,1,0,0,0,0|1,0,0]=2 3784 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [0,1,0,0,0,0|1,0,0]=2 3785 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [0,1,0,0,0,0|1,0,0]=2 3786 B17R0.195 CNCCCCCOCCCCCCC(=O)OC 34a_100000722520_100009815986 [0,1,0,0,0,0|2,0,0]=3 3787 B17R0.195 CNCCCOCCCCCCCCC(=O)OC 34a_100000213112_100010282707 [0,1,0,0,0,0|2,0,0]=3 3788 B17R0.195 CNCCOCCOCCCCCCC(=O)OC 34a_100000228057_100009815986 [0,1,0,0,0,0|3,0,0]=4 3789 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [0,1,0,0,0,0|1,0,0]=2 3790 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [0,1,0,0,0,0|1,0,0]=2 3791 B17R0.195 COC(=O)CCCCCCCCCCCSCF 62a_100015361967_100010983606 [0,1,0,0,0,0|2,0,0]=3 3792 B17R0.195 COC(=O)CCCCCCCCCCNCCF 34a_100000724931_100009812566 [0,1,0,0,0,0|2,0,0]=3 3793 B17R0.195 COC(=O)CCCCCCCCCCNCCO 2230a_100016997473_100009812566 [0,1,0,0,0,0|2,0,0]=3 3794 B17R0.195 COC(=O)CCCCCCCCCCNCCO 34a_100016990907_100009812566 [0,1,0,0,0,0|2,0,0]=3 3795 B17R0.195 COC(=O)CCCCCCCCCCOCC#N 7a_100011003013_100011215382 [0,1,0,0,0,0|2,0,1]=4 3796 B17R0.195 COC(=O)CCCCCCCCCCOCC=O 34a_100011003013_200009817547 [0,1,0,0,0,0|2,0,1]=4 3797 B17R0.195 COC(=O)CCCCCCCCCCOCC=O 7a_100011003013_200015260668 [0,1,0,0,0,0|2,0,1]=4 3798 B17R0.195 COC(=O)CCCCCCCCCCOCCBr 34a_100000211926_100009812566 [0,1,0,0,0,0|2,0,0]=3 3799 B17R0.195 COC(=O)CCCCCCCCCCOCCF 34a_100011003013_100011217306 [0,1,0,0,0,0|2,0,0]=3 3800 B17R0.195 COC(=O)CCCCCCCCCCOCCF 7a_100011003013_100011217306 [0,1,0,0,0,0|2,0,0]=3 3801 B17R0.195 COC(=O)CCCCCCCCCCOCCN 34a_100000210304_100009812566 [0,1,0,0,0,0|2,0,0]=3 3802 B17R0.195 COC(=O)CCCCCCCCCCOCCO 34a_100011003013_100000211926 [0,1,0,0,0,0|2,0,0]=3 3803 B17R0.195 COC(=O)CCCCCCCCCCOCCO 7a_100011003013_100000211926 [0,1,0,0,0,0|2,0,0]=3 3804 B17R0.195 COC(=O)CCCCCCCCCCOCSC 34a_100011003013_100011218213 [0,1,0,0,0,0|2,0,0]=3 3805 B17R0.195 COC(=O)CCCCCCCCCCSCC#N 62a_100011215382_100009812566 [0,1,0,0,0,0|2,0,1]=4 3806 B17R0.195 COC(=O)CCCCCCCCCCSCC=O 62a_200015260668_100009812566 [0,1,0,0,0,0|2,0,1]=4 3807 B17R0.195 COC(=O)CCCCCCCCCCSCCF 62a_100011217306_100009812566 [0,1,0,0,0,0|2,0,0]=3 3808 B17R0.195 COC(=O)CCCCCCCCCCSCCO 62a_100000211926_100009812566 [0,1,0,0,0,0|2,0,0]=3 3809 B17R0.195 COC(=O)CCCCCCCCCCSCSC 62a_100011218213_100009812566 [0,1,0,0,0,0|2,0,0]=3 3810 B17R0.195 COC(=O)CCCCCCCCCNCCCF 2230a_100015189416_100009813843 [0,1,0,0,0,0|2,0,0]=3 3811 B17R0.195 COC(=O)CCCCCCCCCNCCCF 34a_100015189416_100009813843 [0,1,0,0,0,0|2,0,0]=3 3812 B17R0.195 COC(=O)CCCCCCCCCNCCSC 2230a_100020590264_100009813843 [0,1,0,0,0,0|2,0,0]=3 3813 B17R0.195 COC(=O)CCCCCCCCCOCCCBr 34a_100011217188_100009813843 [0,1,0,0,0,0|2,0,0]=3 3814 B17R0.195 COC(=O)CCCCCCCCCOCCCCl 34a_100000230001_100009813843 [0,1,0,0,0,0|2,0,0]=3 3815 B17R0.195 COC(=O)CCCCCCCCCOCCCF 34a_100000759539_100009813843 [0,1,0,0,0,0|2,0,0]=3 3816 B17R0.195 COC(=O)CCCCCCCCCOCCCN 34a_100000182051_100009813843 [0,1,0,0,0,0|2,0,0]=3 3817 B17R0.195 COC(=O)CCCCCCCCCOCCON 34a_100000700252_100009813843 [0,1,0,0,0,0|3,0,0]=4 3818 B17R0.195 COC(=O)CCCCCCCCCOCCSC 34a_100000230434_100009813843 [0,1,0,0,0,0|2,0,0]=3 3819 B17R0.195 COC(=O)CCCCCCCCCOCCSC 7a_100000230434_100009813843 [0,1,0,0,0,0|2,0,0]=3 3820 B17R0.195 COC(=O)CCCCCCCCCSCCC#N 62a_100011215226_100009813843 [0,1,0,0,0,0|2,0,1]=4 3821 B17R0.195 COC(=O)CCCCCCCCCSCCCF 62a_100011934791_100009813843 [0,1,0,0,0,0|2,0,0]=3 3822 B17R0.195 COC(=O)CCCCCCCCCSCCCO 62a_100011215043_100009813843 [0,1,0,0,0,0|2,0,0]=3 3823 B17R0.195 COC(=O)CCCCCCCCCSCCSC 62a_100000212216_100009813843 [0,1,0,0,0,0|2,0,0]=3 3824 B17R0.195 COC(=O)CCCCCCCCNCCCCO 2230a_100000750430_100010282707 [0,1,0,0,0,0|2,0,0]=3 3825 B17R0.195 COC(=O)CCCCCCCCNCCCCO 34a_100000750430_100010282707 [0,1,0,0,0,0|2,0,0]=3 3826 B17R0.195 COC(=O)CCCCCCCCNCCCSC 2230a_100000749238_100010282707 [0,1,0,0,0,0|2,0,0]=3 3827 B17R0.195 COC(=O)CCCCCCCCOCCCC#N 7a_100000035544_100000687738 [0,1,0,0,0,0|2,0,1]=4 3828 B17R0.195 COC(=O)CCCCCCCCOCCCC=O 7a_100000035544_200011292268 [0,1,0,0,0,0|2,0,1]=4 3829 B17R0.195 COC(=O)CCCCCCCCOCCCCBr 34a_100011216708_100010282707 [0,1,0,0,0,0|2,0,0]=3 3830 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 34a_100000210776_100010282707 [0,1,0,0,0,0|2,0,0]=3 3831 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 7a_100000210776_100010282707 [0,1,0,0,0,0|2,0,0]=3 3832 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100000035544_100000729493 [0,1,0,0,0,0|2,0,0]=3 3833 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100011995726_100010282707 [0,1,0,0,0,0|2,0,0]=3 3834 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100000035544_100000729493 [0,1,0,0,0,0|2,0,0]=3 3835 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100011995726_100010282707 [0,1,0,0,0,0|2,0,0]=3 3836 B17R0.195 COC(=O)CCCCCCCCOCCCCI 34a_200012148704_100010282707 [0,1,0,0,0,0|2,0,0]=3 3837 B17R0.195 COC(=O)CCCCCCCCOCCCCN 34a_100000750430_100010282707 [0,1,0,0,0,0|2,0,0]=3 3838 B17R0.195 COC(=O)CCCCCCCCOCCCCO 34a_100000035544_100011216708 [0,1,0,0,0,0|2,0,0]=3 3839 B17R0.195 COC(=O)CCCCCCCCOCCCCO 7a_100000035544_100000210776 [0,1,0,0,0,0|2,0,0]=3 3840 B17R0.195 COC(=O)CCCCCCCCOCCCSC 34a_100000690336_100010282707 [0,1,0,0,0,0|2,0,0]=3 3841 B17R0.195 COC(=O)CCCCCCCCOCCCSC 7a_100000690336_100010282707 [0,1,0,0,0,0|2,0,0]=3 3842 B17R0.195 COC(=O)CCCCCCCCSCCCC#N 62a_100000687738_100010282707 [0,1,0,0,0,0|2,0,1]=4 3843 B17R0.195 COC(=O)CCCCCCCCSCCCC#N 62a_100010282707_100000687738 [0,1,0,0,0,0|2,0,1]=4 3844 B17R0.195 COC(=O)CCCCCCCCSCCCC=O 62a_100010282707_200011292268 [0,1,0,0,0,0|2,0,1]=4 3845 B17R0.195 COC(=O)CCCCCCCCSCCCC=O 62a_200011292268_100010282707 [0,1,0,0,0,0|2,0,1]=4 3846 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100000729493_100010282707 [0,1,0,0,0,0|2,0,0]=3 3847 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100010282707_100000729493 [0,1,0,0,0,0|2,0,0]=3 3848 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100000210776_100010282707 [0,1,0,0,0,0|2,0,0]=3 3849 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100010282707_100000210776 [0,1,0,0,0,0|2,0,0]=3 3850 B17R0.195 COC(=O)CCCCCCCNCCCCCO 2230a_100000762737_100010004213 [0,1,0,0,0,0|2,0,0]=3 3851 B17R0.195 COC(=O)CCCCCCCNCCCCCO 34a_100000762737_100010004213 [0,1,0,0,0,0|2,0,0]=3 3852 B17R0.195 COC(=O)CCCCCCCNCCOCCO 2230a_100000211614_100010004213 [0,1,0,0,0,0|3,0,0]=4 3853 B17R0.195 COC(=O)CCCCCCCNCCOCCO 34a_100000211614_100010004213 [0,1,0,0,0,0|3,0,0]=4 3854 B17R0.195 COC(=O)CCCCCCCNCCSCCO 2230a_100011219999_100010004213 [0,1,0,0,0,0|3,0,0]=4 3855 B17R0.195 COC(=O)CCCCCCCOCCCCC#N 7a_100011022521_100000211819 [0,1,0,0,0,0|2,0,1]=4 3856 B17R0.195 COC(=O)CCCCCCCOCCCCC=O 7a_100011022521_100000139335 [0,1,0,0,0,0|2,0,1]=4 3857 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 34a_100000746331_100010004213 [0,1,0,0,0,0|2,0,0]=3 3858 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 7a_100000746331_100010004213 [0,1,0,0,0,0|2,0,0]=3 3859 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 34a_100000746330_100010004213 [0,1,0,0,0,0|2,0,0]=3 3860 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 7a_100000746330_100010004213 [0,1,0,0,0,0|2,0,0]=3 3861 B17R0.195 COC(=O)CCCCCCCOCCCCCF 34a_100011022521_100000729378 [0,1,0,0,0,0|2,0,0]=3 3862 B17R0.195 COC(=O)CCCCCCCOCCCCCF 7a_100011022521_100000729378 [0,1,0,0,0,0|2,0,0]=3 3863 B17R0.195 COC(=O)CCCCCCCOCCCCCI 34a_200012148887_100010004213 [0,1,0,0,0,0|2,0,0]=3 3864 B17R0.195 COC(=O)CCCCCCCOCCCCCI 7a_200012148887_100010004213 [0,1,0,0,0,0|2,0,0]=3 3865 B17R0.195 COC(=O)CCCCCCCOCCCCCN 34a_100000762737_100010004213 [0,1,0,0,0,0|2,0,0]=3 3866 B17R0.195 COC(=O)CCCCCCCOCCCCCO 34a_100011022521_100000746330 [0,1,0,0,0,0|2,0,0]=3 3867 B17R0.195 COC(=O)CCCCCCCOCCCCCO 7a_100011022521_100000746330 [0,1,0,0,0,0|2,0,0]=3 3868 B17R0.195 COC(=O)CCCCCCCOCCCCSC 34a_100011217163_100010004213 [0,1,0,0,0,0|2,0,0]=3 3869 B17R0.195 COC(=O)CCCCCCCOCCCCSC 7a_100011217163_100010004213 [0,1,0,0,0,0|2,0,0]=3 3870 B17R0.195 COC(=O)CCCCCCCOCCOCCBr 34a_100000692535_100010004213 [0,1,0,0,0,0|3,0,0]=4 3871 B17R0.195 COC(=O)CCCCCCCOCCOCCBr 7a_100000692535_100010004213 [0,1,0,0,0,0|3,0,0]=4 3872 B17R0.195 COC(=O)CCCCCCCOCCOCCCl 34a_100011215305_100010004213 [0,1,0,0,0,0|3,0,0]=4 3873 B17R0.195 COC(=O)CCCCCCCOCCOCCCl 7a_100011215305_100010004213 [0,1,0,0,0,0|3,0,0]=4 3874 B17R0.195 COC(=O)CCCCCCCOCCOCCF 34a_200015357709_100010004213 [0,1,0,0,0,0|3,0,0]=4 3875 B17R0.195 COC(=O)CCCCCCCOCCOCCF 7a_200015357709_100010004213 [0,1,0,0,0,0|3,0,0]=4 3876 B17R0.195 COC(=O)CCCCCCCOCCOCCI 34a_100012149058_100010004213 [0,1,0,0,0,0|3,0,0]=4 3877 B17R0.195 COC(=O)CCCCCCCOCCOCCI 7a_100012149058_100010004213 [0,1,0,0,0,0|3,0,0]=4 3878 B17R0.195 COC(=O)CCCCCCCOCCOCCN 34a_100000211614_100010004213 [0,1,0,0,0,0|3,0,0]=4 3879 B17R0.195 COC(=O)CCCCCCCOCCOCCO 34a_100011022521_100000692535 [0,1,0,0,0,0|3,0,0]=4 3880 B17R0.195 COC(=O)CCCCCCCOCCOCCO 7a_100011022521_100011215305 [0,1,0,0,0,0|3,0,0]=4 3881 B17R0.195 COC(=O)CCCCCCCSCCCCC#N 62a_100010004213_100000211819 [0,1,0,0,0,0|2,0,1]=4 3882 B17R0.195 COC(=O)CCCCCCCSCCCCC#N 62a_100011219923_100010004213 [0,1,0,0,0,0|2,0,1]=4 3883 B17R0.195 COC(=O)CCCCCCCSCCCCC=O 62a_100000139335_100010004213 [0,1,0,0,0,0|2,0,1]=4 3884 B17R0.195 COC(=O)CCCCCCCSCCCCC=O 62a_100010004213_100000139335 [0,1,0,0,0,0|2,0,1]=4 3885 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100000729378_100010004213 [0,1,0,0,0,0|2,0,0]=3 3886 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100010004213_100000729378 [0,1,0,0,0,0|2,0,0]=3 3887 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100000746330_100010004213 [0,1,0,0,0,0|2,0,0]=3 3888 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100010004213_100000746330 [0,1,0,0,0,0|2,0,0]=3 3889 B17R0.195 COC(=O)CCCCCCCSCCOCCO 62a_100010004213_100011215305 [0,1,0,0,0,0|3,0,0]=4 3890 B17R0.195 COC(=O)CCCCCCCSCCOCCO 62a_100011215305_100010004213 [0,1,0,0,0,0|3,0,0]=4 3891 B17R0.195 COC(=O)CCCCCCNCCCCCCO 2230a_100000686447_100009815986 [0,1,0,0,0,0|2,0,0]=3 3892 B17R0.195 COC(=O)CCCCCCNCCCCCCO 34a_100000686447_100009815986 [0,1,0,0,0,0|2,0,0]=3 3893 B17R0.195 COC(=O)CCCCCCOCCCCCC#N 7a_100009863599_100009813376 [0,1,0,0,0,0|2,0,1]=4 3894 B17R0.195 COC(=O)CCCCCCOCCCCCC=O 7a_100009863599_100000139337 [0,1,0,0,0,0|2,0,1]=4 3895 B17R0.195 COC(=O)CCCCCCOCCCCCCBr 34a_100011215345_100009815986 [0,1,0,0,0,0|2,0,0]=3 3896 B17R0.195 COC(=O)CCCCCCOCCCCCCBr 7a_100011215345_100009815986 [0,1,0,0,0,0|2,0,0]=3 3897 B17R0.195 COC(=O)CCCCCCOCCCCCCCl 34a_100000766143_100009815986 [0,1,0,0,0,0|2,0,0]=3 3898 B17R0.195 COC(=O)CCCCCCOCCCCCCCl 7a_100000766143_100009815986 [0,1,0,0,0,0|2,0,0]=3 3899 B17R0.195 COC(=O)CCCCCCOCCCCCCF 34a_100000732779_100009815986 [0,1,0,0,0,0|2,0,0]=3 3900 B17R0.195 COC(=O)CCCCCCOCCCCCCF 34a_100009863599_100015922095 [0,1,0,0,0,0|2,0,0]=3 3901 B17R0.195 COC(=O)CCCCCCOCCCCCCF 7a_100000732779_100009815986 [0,1,0,0,0,0|2,0,0]=3 3902 B17R0.195 COC(=O)CCCCCCOCCCCCCF 7a_100009863599_100015922095 [0,1,0,0,0,0|2,0,0]=3 3903 B17R0.195 COC(=O)CCCCCCOCCCCCCN 34a_100000686447_100009815986 [0,1,0,0,0,0|2,0,0]=3 3904 B17R0.195 COC(=O)CCCCCCOCCCCCCO 34a_100009863599_100000766143 [0,1,0,0,0,0|2,0,0]=3 3905 B17R0.195 COC(=O)CCCCCCOCCCCCCO 7a_100009863599_100000766143 [0,1,0,0,0,0|2,0,0]=3 3906 B17R0.195 COC(=O)CCCCCCSCCCCCC#N 62a_100009813376_100009815986 [0,1,0,0,0,0|2,0,1]=4 3907 B17R0.195 COC(=O)CCCCCCSCCCCCC#N 62a_100009815986_100009813376 [0,1,0,0,0,0|2,0,1]=4 3908 B17R0.195 COC(=O)CCCCCCSCCCCCC=O 62a_100000139337_100009815986 [0,1,0,0,0,0|2,0,1]=4 3909 B17R0.195 COC(=O)CCCCCCSCCCCCC=O 62a_100009815986_100000139337 [0,1,0,0,0,0|2,0,1]=4 3910 B17R0.195 COC(=O)CCCCCCSCCCCCCF 62a_100009815986_100015922095 [0,1,0,0,0,0|2,0,0]=3 3911 B17R0.195 COC(=O)CCCCCCSCCCCCCF 62a_100015922095_100009815986 [0,1,0,0,0,0|2,0,0]=3 3912 B17R0.195 COC(=O)CCCCCCSCCCCCCO 62a_100000766143_100009815986 [0,1,0,0,0,0|2,0,0]=3 3913 B17R0.195 COC(=O)CCCCCCSCCCCCCO 62a_100009815986_100000766143 [0,1,0,0,0,0|2,0,0]=3 3914 B17R0.195 COC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009816466 [0,1,0,0,0,0|2,0,0]=3 3915 B17R0.195 COC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009816466 [0,1,0,0,0,0|2,0,0]=3 3916 B17R0.195 COC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009816466 [0,1,0,0,0,0|3,0,0]=4 3917 B17R0.195 COC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009816466 [0,1,0,0,0,0|3,0,0]=4 3918 B17R0.195 COC(=O)CCCCCOCCCCCCC#N 7a_100000074720_100009813337 [0,1,0,0,0,0|2,0,1]=4 3919 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009816466 [0,1,0,0,0,0|2,0,0]=3 3920 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009816466 [0,1,0,0,0,0|2,0,0]=3 3921 B17R0.195 COC(=O)CCCCCOCCCCCCCN 34a_100011996573_100009816466 [0,1,0,0,0,0|2,0,0]=3 3922 B17R0.195 COC(=O)CCCCCOCCCCCCCO 34a_100000074720_100000760002 [0,1,0,0,0,0|2,0,0]=3 3923 B17R0.195 COC(=O)CCCCCOCCCCCCCO 7a_100000074720_100000760002 [0,1,0,0,0,0|2,0,0]=3 3924 B17R0.195 COC(=O)CCCCCOCCCOCCCN 34a_100011310245_100009816466 [0,1,0,0,0,0|3,0,0]=4 3925 B17R0.195 COC(=O)CCCCCSCCCCCCC#N 62a_100009813337_100009816466 [0,1,0,0,0,0|2,0,1]=4 3926 B17R0.195 COC(=O)CCCCCSCCCCCCC#N 62a_100009816466_100009813337 [0,1,0,0,0,0|2,0,1]=4 3927 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009816466 [0,1,0,0,0,0|2,0,0]=3 3928 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100009816466_100000760002 [0,1,0,0,0,0|2,0,0]=3 3929 B17R0.195 COC(=O)CCCCNCCCCCCCCO 2230a_102515433106_100000204269 [0,1,0,0,0,0|2,0,0]=3 3930 B17R0.195 COC(=O)CCCCNCCCCCCCCO 34a_102515433106_100000204269 [0,1,0,0,0,0|2,0,0]=3 3931 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100000204269 [0,1,0,0,0,0|2,0,0]=3 3932 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000204269 [0,1,0,0,0,0|2,0,0]=3 3933 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100000204269 [0,1,0,0,0,0|2,0,0]=3 3934 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000204269 [0,1,0,0,0,0|2,0,0]=3 3935 B17R0.195 COC(=O)CCCCOCCCCCCCCN 34a_102515433106_100000204269 [0,1,0,0,0,0|2,0,0]=3 3936 B17R0.195 COC(=O)CCCCOCCCCCCCCO 34a_100000059025_100000033203 [0,1,0,0,0,0|2,0,0]=3 3937 B17R0.195 COC(=O)CCCCOCCCCCCCCO 7a_100000059025_100000033203 [0,1,0,0,0,0|2,0,0]=3 3938 B17R0.195 COC(=O)CCCCOCCCCCNCCN 34a_103619048469_100000204269 [0,1,0,0,0,0|3,0,0]=4 3939 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000204269 [0,1,0,0,0,0|2,0,0]=3 3940 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000204269_100000033203 [0,1,0,0,0,0|2,0,0]=3 3941 B17R0.195 COC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100011218270 [0,1,0,0,0,0|2,0,0]=3 3942 B17R0.195 COC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000742333 [0,1,0,0,0,0|2,0,0]=3 3943 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000742333 [0,1,0,0,0,0|2,0,0]=3 3944 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011218270 [0,1,0,0,0,0|2,0,0]=3 3945 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000742333 [0,1,0,0,0,0|2,0,0]=3 3946 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011218270 [0,1,0,0,0,0|2,0,0]=3 3947 B17R0.195 COC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000742333 [0,1,0,0,0,0|2,0,0]=3 3948 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011218270 [0,1,0,0,0,0|2,0,0]=3 3949 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100011218270_100009813782 [0,1,0,0,0,0|2,0,0]=3 3950 B17R0.195 COC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000204255 [0,1,0,0,0,0|2,0,0]=3 3951 B17R0.195 COC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000742370 [0,1,0,0,0,0|2,0,0]=3 3952 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000742370 [0,1,0,0,0,0|2,0,0]=3 3953 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000204255 [0,1,0,0,0,0|2,0,0]=3 3954 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000742370 [0,1,0,0,0,0|2,0,0]=3 3955 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000204255 [0,1,0,0,0,0|2,0,0]=3 3956 B17R0.195 COC(=O)CCOCCCCCCCCCCN 34a_100000066964_100000742370 [0,1,0,0,0,0|2,0,0]=3 3957 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100000204255_200000033068 [0,1,0,0,0,0|2,0,0]=3 3958 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000204255 [0,1,0,0,0,0|2,0,0]=3 3959 B17R0.195 COC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000747449 [0,1,0,0,0,0|2,0,0]=3 3960 B17R0.195 COC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747449 [0,1,0,0,0,0|2,0,0]=3 3961 B17R0.195 COC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000090808 [0,1,0,0,0,0|3,0,0]=4 3962 B17R0.195 COC(=O)COCCNCCCCCCCCO 34a_102515433106_100000090808 [0,1,0,0,0,0|3,0,0]=4 3963 B17R0.195 COC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000090808 [0,1,0,0,0,0|3,0,0]=4 3964 B17R0.195 COC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000090808 [0,1,0,0,0,0|3,0,0]=4 3965 B17R0.195 COC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000090808 [0,1,0,0,0,0|3,0,0]=4 3966 B17R0.195 COC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000090808 [0,1,0,0,0,0|3,0,0]=4 3967 B17R0.195 COC(=O)COCCOCCCCCCCCN 34a_102515433106_100000090808 [0,1,0,0,0,0|3,0,0]=4 3968 B17R0.195 COC(=O)COCCSCCCCCCCCO 62a_100000033203_100000090808 [0,1,0,0,0,0|3,0,0]=4 3969 B17R0.195 COC(=O)COCCSCCCCCCCCO 62a_100000090808_100000033203 [0,1,0,0,0,0|3,0,0]=4 3970 B17R0.195 COC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747449 [0,1,0,0,0,0|2,0,0]=3 3971 B17R0.195 COC(=O)NCCOCCCCCCCCCO 34a_100000757965_100009813782 [0,1,0,0,0,0|3,0,0]=4 3972 B17R0.195 COC(=O)OCCOCCCCCCCCCO 34a_100010262106_100009813782 [0,1,0,0,0,0|3,0,0]=4 3973 B17R0.195 COC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000139417 [0,1,0,0,0,0|3,0,0]=4 3974 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [0,1,0,0,0,0|1,0,0]=2 3975 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011998445 [0,1,0,0,0,0|2,0,0]=3 3976 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_200012092642_100009816466 [0,1,0,0,0,0|2,0,0]=3 3977 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_100000074720_100011998445 [0,1,0,0,0,0|2,0,0]=3 3978 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_200012092642_100009816466 [0,1,0,0,0,0|2,0,0]=3 3979 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100009816466_100011998445 [0,1,0,0,0,0|2,0,0]=3 3980 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100011998445_100009816466 [0,1,0,0,0,0|2,0,0]=3 3981 B17R0.195 COCCCCCNCCCCCCC(=O)OC 2230a_100000747528_100009815986 [0,1,0,0,0,0|2,0,0]=3 3982 B17R0.195 COCCCCCNCCCCCCC(=O)OC 34a_100000747528_100009815986 [0,1,0,0,0,0|2,0,0]=3 3983 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100000740925_100010004213 [0,1,0,0,0,0|2,0,0]=3 3984 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000755781 [0,1,0,0,0,0|2,0,0]=3 3985 B17R0.195 COCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000730899 [0,1,0,0,0,0|2,0,0]=3 3986 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100000730899_100010004213 [0,1,0,0,0,0|2,0,0]=3 3987 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000730899 [0,1,0,0,0,0|2,0,0]=3 3988 B17R0.195 COCCCNCCCCCCCCC(=O)OC 34a_100150723488_100010282707 [0,1,0,0,0,0|2,0,0]=3 3989 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000740836 [0,1,0,0,0,0|2,0,0]=3 3990 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000740835_100010282707 [0,1,0,0,0,0|2,0,0]=3 3991 B17R0.195 COCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000740836 [0,1,0,0,0,0|2,0,0]=3 3992 B17R0.195 COCCCOCCCOCCCCC(=O)OC 34a_200011215475_100000204269 [0,1,0,0,0,0|3,0,0]=4 3993 B17R0.195 COCCCOCCCOCCCCC(=O)OC 7a_200011215475_100000204269 [0,1,0,0,0,0|3,0,0]=4 3994 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100000709357_100010282707 [0,1,0,0,0,0|2,0,0]=3 3995 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000709357 [0,1,0,0,0,0|2,0,0]=3 3996 B17R0.195 COCCNCCCCCCCCCC(=O)OC 2230a_100000209980_100009813843 [0,1,0,0,0,0|2,0,0]=3 3997 B17R0.195 COCCOCCCCCCCCCC(=O)OC 34a_100000210237_100009813843 [0,1,0,0,0,0|2,0,0]=3 3998 B17R0.195 COCCOCCCNCCCCCC(=O)OC 2230a_100000206027_100009816466 [0,1,0,0,0,0|3,0,0]=4 3999 B17R0.195 COCCOCCCNCCCCCC(=O)OC 34a_100000206027_100009816466 [0,1,0,0,0,0|3,0,0]=4 4000 B17R0.195 COCCOCCCOCCCCCC(=O)OC 34a_100000074720_100011216529 [0,1,0,0,0,0|3,0,0]=4 4001 B17R0.195 COCCOCCCOCCCCCC(=O)OC 7a_100000074720_100011216529 [0,1,0,0,0,0|3,0,0]=4 4002 B17R0.195 COCCOCCCSCCCCCC(=O)OC 62a_100009816466_100011216529 [0,1,0,0,0,0|3,0,0]=4 4003 B17R0.195 COCCOCCCSCCCCCC(=O)OC 62a_100011216529_100009816466 [0,1,0,0,0,0|3,0,0]=4 4004 B17R0.195 COCCOCCNCCCCCCC(=O)OC 2230a_100000745349_100009815986 [0,1,0,0,0,0|3,0,0]=4 4005 B17R0.195 COCCOCCNCCCCCCC(=O)OC 34a_100000745349_100009815986 [0,1,0,0,0,0|3,0,0]=4 4006 B17R0.195 COCCOCCOCCCCCCC(=O)OC 34a_100009863599_100000695917 [0,1,0,0,0,0|3,0,0]=4 4007 B17R0.195 COCCOCCOCCCCCCC(=O)OC 34a_100011215163_100009815986 [0,1,0,0,0,0|3,0,0]=4 4008 B17R0.195 COCCOCCOCCCCCCC(=O)OC 7a_100009863599_100000695917 [0,1,0,0,0,0|3,0,0]=4 4009 B17R0.195 COCCOCCOCCCCCCC(=O)OC 7a_100011215163_100009815986 [0,1,0,0,0,0|3,0,0]=4 4010 B17R0.195 COCCOCCSCCCCCCC(=O)OC 62a_100000695917_100009815986 [0,1,0,0,0,0|3,0,0]=4 4011 B17R0.195 COCCOCCSCCCCCCC(=O)OC 62a_100009815986_100000695917 [0,1,0,0,0,0|3,0,0]=4 4012 B17R0.195 COCCOCSCCCCCCCC(=O)OC 62a_100000231047_100010004213 [0,1,0,0,0,0|3,0,0]=4 4013 B17R0.195 COCCOCSCCCCCCCC(=O)OC 62a_100010004213_100000231047 [0,1,0,0,0,0|3,0,0]=4 4014 B17R0.195 COCCSCCCCCCCCCC(=O)OC 62a_100000233755_100009813843 [0,1,0,0,0,0|2,0,0]=3 4015 B17R0.195 COCSCCCCCCCCCCC(=O)OC 62a_100000766300_100009812566 [0,1,0,0,0,0|2,0,0]=3 4016 B17R0.195 NC(=NO)CCOCCCCCCCCCCO 34a_100000749954_100009813290 [0,1,0,0,0,0|3,0,0]=4 4017 B17R0.195 NNC(=O)CCCOCCCCCCCCCO 34a_100000211488_100009813782 [0,1,0,0,0,0|3,0,0]=4 4018 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [0,1,0,0,0,0|1,0,0]=2 4019 B17R0.195 O=C(CO)NCCCCCCCCCCCCO 240690a_100000066677_100000210174 [0,1,0,0,0,0|2,0,0]=3 4020 B17R0.197 CCCCCCCCCCCCCNS(=O)(=O)C 40a_100011215765_100000738038 [0,1,0,0,0,0|2,0,1]=4 4021 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011215052 [0,1,0,0,0,0|2,0,1]=4 4022 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 270004a_100000751335_100011218549 [0,1,0,0,0,0|2,0,1]=4 4023 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 34a_100000210451_100000764493 [0,1,0,0,0,0|2,0,1]=4 4024 B17R0.197 CCCCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000210451_100009817235 [0,1,0,0,0,0|2,0,1]=4 4025 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 34a_100000210810_100000764493 [0,1,0,0,0,0|2,0,1]=4 4026 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 7a_100000210810_100000764493 [0,1,0,0,0,0|2,0,1]=4 4027 B17R0.197 CCCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210810_100009817235 [0,1,0,0,0,0|2,0,1]=4 4028 B17R0.197 CCCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100000759014 [0,1,0,0,0,0|2,0,1]=4 4029 B17R0.197 CCCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000759014 [0,1,0,0,0,0|2,0,1]=4 4030 B17R0.197 CCCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000759014 [0,1,0,0,0,0|2,0,1]=4 4031 B17R0.197 CCCCCCCCCCCNCCC(C)(C)O 2230a_200011215754_100000702414 [0,1,0,0,0,0|2,0,1]=4 4032 B17R0.197 CCCCCCCCCCCNCCC(C)(C)O 34a_200011215754_100000702414 [0,1,0,0,0,0|2,0,1]=4 4033 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215454 [0,1,0,0,0,0|2,0,1]=4 4034 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 2230a_200011215754_100000731031 [0,1,0,0,0,0|2,0,1]=4 4035 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011215454 [0,1,0,0,0,0|2,0,1]=4 4036 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 34a_200011215754_100000731031 [0,1,0,0,0,0|2,0,1]=4 4037 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215454 [0,1,0,0,0,0|2,0,1]=4 4038 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011215454 [0,1,0,0,0,0|2,0,1]=4 4039 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_200011215754_100000737633 [0,1,0,0,0,0|2,0,1]=4 4040 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)[O-] 34a_200011215754_100000762736 [0,1,0,0,0,0|2,0,1]=4 4041 B17R0.197 CCCCCCCCCCCOCCC(C)(C)O 34a_100000210809_100000702414 [0,1,0,0,0,0|2,0,1]=4 4042 B17R0.197 CCCCCCCCCCCOCCC(C)(C)O 7a_100000210809_100000702414 [0,1,0,0,0,0|2,0,1]=4 4043 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210809_100000731031 [0,1,0,0,0,0|2,0,1]=4 4044 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011215454 [0,1,0,0,0,0|2,0,1]=4 4045 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210809_100000230027 [0,1,0,0,0,0|2,0,1]=4 4046 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100011215454 [0,1,0,0,0,0|2,0,1]=4 4047 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011215454 [0,1,0,0,0,0|2,0,1]=4 4048 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210809_100000762736 [0,1,0,0,0,0|2,0,1]=4 4049 B17R0.197 CCCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100011215454 [0,1,0,0,0,0|2,0,1]=4 4050 B17R0.197 CCCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100011215454 [0,1,0,0,0,0|2,0,1]=4 4051 B17R0.197 CCCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100011215454 [0,1,0,0,0,0|2,0,1]=4 4052 B17R0.197 CCCCCCCCCCNCCCC(C)(C)O 2230a_100000684558_100009888830 [0,1,0,0,0,0|2,0,1]=4 4053 B17R0.197 CCCCCCCCCCNCCCC(C)(C)O 34a_100000684558_100009888830 [0,1,0,0,0,0|2,0,1]=4 4054 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000684558_100000754308 [0,1,0,0,0,0|2,0,1]=4 4055 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210320 [0,1,0,0,0,0|2,0,1]=4 4056 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 34a_100000684558_100000754308 [0,1,0,0,0,0|2,0,1]=4 4057 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210320 [0,1,0,0,0,0|2,0,1]=4 4058 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)N 2230a_100000684558_100000750626 [0,1,0,0,0,0|2,0,1]=4 4059 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)N 34a_100000684558_100000750626 [0,1,0,0,0,0|2,0,1]=4 4060 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000684558_100009813499 [0,1,0,0,0,0|2,0,1]=4 4061 B17R0.197 CCCCCCCCCCOCCCC(C)(C)O 34a_100000210711_100009888830 [0,1,0,0,0,0|2,0,1]=4 4062 B17R0.197 CCCCCCCCCCOCCCC(C)(C)O 7a_100000210711_100009888830 [0,1,0,0,0,0|2,0,1]=4 4063 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 34a_100000210711_100000754308 [0,1,0,0,0,0|2,0,1]=4 4064 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210320 [0,1,0,0,0,0|2,0,1]=4 4065 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 7a_100000210711_100000754308 [0,1,0,0,0,0|2,0,1]=4 4066 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210320 [0,1,0,0,0,0|2,0,1]=4 4067 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)N 34a_100000210711_100000750626 [0,1,0,0,0,0|2,0,1]=4 4068 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)N 7a_100000210711_100000750626 [0,1,0,0,0,0|2,0,1]=4 4069 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210711_100009813499 [0,1,0,0,0,0|2,0,1]=4 4070 B17R0.197 CCCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210320 [0,1,0,0,0,0|2,0,1]=4 4071 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210320 [0,1,0,0,0,0|2,0,1]=4 4072 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210320 [0,1,0,0,0,0|2,0,1]=4 4073 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210320 [0,1,0,0,0,0|2,0,1]=4 4074 B17R0.197 CCCCCCCCNCCCCCC(C)(C)O 2230a_100000229939_100010402123 [0,1,0,0,0,0|2,0,1]=4 4075 B17R0.197 CCCCCCCCNCCCCCC(C)(C)O 34a_100000229939_100010402123 [0,1,0,0,0,0|2,0,1]=4 4076 B17R0.197 CCCCCCCCOCCCCCC(C)(C)O 34a_100000210232_100010402123 [0,1,0,0,0,0|2,0,1]=4 4077 B17R0.197 CCCCCCCCOCCCCCC(C)(C)O 7a_100000210232_100010402123 [0,1,0,0,0,0|2,0,1]=4 4078 B17R0.197 CCCCCCCCSCCCCCC(C)(C)O 62a_100000210759_100010402123 [0,1,0,0,0,0|2,0,1]=4 4079 B17R0.197 CCCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210317 [0,1,0,0,0,0|2,0,1]=4 4080 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000211992_200010167045 [0,1,0,0,0,0|1,0,1]=3 4081 B17R0.256 CCCC(C)CCCOCCCCCCB(O)O 34a_100011713154_100009817187 [0,1,0,0,0,0|2,0,1]=4 4082 B17R0.256 CCCC(C)CCCOCCCCCCB(O)O 7a_100011713154_100009817187 [0,1,0,0,0,0|2,0,1]=4 4083 B17R0.256 CCCC(C)CCCOCCCCCOC(=O)C 34a_100011713154_100000033007 [0,1,0,0,0,0|3,0,0]=4 4084 B17R0.256 CCCC(C)CCCOCCCCCOC(=O)C 7a_100011713154_100000033007 [0,1,0,0,0,0|3,0,0]=4 4085 B17R0.256 CCCN(C)CCCCCCCCCCC(=O)N 2230a_100000747261_200010167045 [0,1,0,0,0,0|2,0,0]=3 4086 B17R0.256 CCCN(C)CCCCCCCCCCC(=O)N 269982a_100000747261_200010167045 [0,1,0,0,0,0|2,0,0]=3 4087 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009827693 [0,1,0,0,0,0|2,0,1]=4 4088 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_200020656980_200000210301 [0,1,0,0,0,0|2,0,1]=4 4089 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_200020656980_200025704644 [0,1,0,0,0,0|2,0,1]=4 4090 B17R0.256 CCOC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010175975 [0,1,0,0,0,0|2,0,1]=4 4091 B17R0.256 CN(CCO)CCCCCCCCCCC(=O)N 2230a_100000210263_200010167045 [0,1,0,0,0,0|3,0,0]=4 4092 B17R0.256 CN(CCO)CCCCCCCCCCC(=O)N 269982a_100000210263_200010167045 [0,1,0,0,0,0|3,0,0]=4 4093 B17R0.256 COCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210968_200010167045 [0,1,0,0,0,0|2,0,1]=4 4094 B17R0.256 CSCC(=O)CCCCCCCCCCC(=O)N 1458a_100000184570_200010167045 [0,1,0,0,0,0|2,0,1]=4 4095 B17R0.256 NC(=O)CCCCCCCCCCC(=O)CCO 1458a_100011216618_200010167045 [0,1,0,0,0,0|2,0,1]=4 4096 B17R0.1713 C=C(C)COCCCCCCCCCCC(=O)N 34a_100000210245_200010167045 [0,1,0,0,0,0|2,0,1]=4 4097 B17R0.1713 C=C(C)CSCCCCCCCCCCC(=O)N 62a_100000748629_200010167045 [0,1,0,0,0,0|2,0,1]=4 4098 B17R0.1713 C=C(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000211660 [0,1,0,0,0,0|2,0,1]=4 4099 B17R0.1713 CC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000070787_100010140907 [0,1,0,0,0,0|2,0,1]=4 4100 B17R0.1713 CC(=O)CCCCOCCCCCCCC(C)C 34a_200000210741_100009817362 [0,1,0,0,0,0|2,0,0]=3 4101 B17R0.1713 CC(=O)CCCCOCCCCCCCC(C)C 7a_200000210741_100000735457 [0,1,0,0,0,0|2,0,0]=3 4102 B17R0.1713 CC(=O)COCCCCCCCCCCC(=O)N 34a_100000211253_200010167045 [0,1,0,0,0,0|2,0,1]=4 4103 B17R0.1713 CC(=O)NCCCCCCNCCCCC(C)C 2230a_200011996284_100011216152 [0,1,0,0,0,0|3,0,0]=4 4104 B17R0.1713 CC(=O)NCCCCCCNCCCCC(C)C 34a_200011996284_100011216152 [0,1,0,0,0,0|3,0,0]=4 4105 B17R0.1713 CC(=O)NCCCCCNCCCCCC(C)C 2230a_200012022750_100000210682 [0,1,0,0,0,0|3,0,0]=4 4106 B17R0.1713 CC(=O)NCCCCCNCCCCCC(C)C 34a_200012022750_100000210682 [0,1,0,0,0,0|3,0,0]=4 4107 B17R0.1713 CC(=O)OCCCCCNCCCCCC(C)C 2230a_100011290863_100009813381 [0,1,0,0,0,0|3,0,0]=4 4108 B17R0.1713 CC(=O)OCCCCCNCCCCCC(C)C 34a_100011290863_100000033007 [0,1,0,0,0,0|3,0,0]=4 4109 B17R0.1713 CC(=O)OCCCCCOCCCCCC(C)C 34a_100011995859_100000033007 [0,1,0,0,0,0|3,0,0]=4 4110 B17R0.1713 CC(=O)OCCCCCOCCCCCC(C)C 7a_100011995859_100000033007 [0,1,0,0,0,0|3,0,0]=4 4111 B17R0.1713 CC(=O)OCCCCCSCCCCCC(C)C 62a_100000033007_100000210682 [0,1,0,0,0,0|3,0,0]=4 4112 B17R0.1713 CC(=O)OCCCCCSCCCCCC(C)C 62a_100000210682_100000033007 [0,1,0,0,0,0|3,0,0]=4 4113 B17R0.1713 CC(=O)OCCCCNCCCCCCC(C)C 34a_100000211014_100000033659 [0,1,0,0,0,0|3,0,0]=4 4114 B17R0.1713 CC(=O)OCCCOCCCCCCCC(C)C 34a_200000210741_100000042594 [0,1,0,0,0,0|3,0,0]=4 4115 B17R0.1713 CC(=O)OCCCOCCCCCCCC(C)C 7a_200000210741_100000042594 [0,1,0,0,0,0|3,0,0]=4 4116 B17R0.1713 CC(=O)SCCCCCCCCCCCN(C)C 2230a_100102631434_100010140907 [0,1,0,0,0,0|3,0,0]=4 4117 B17R0.1713 CC(=O)SCCCCCCCCCCCN(C)C 269982a_100102631434_100010140907 [0,1,0,0,0,0|3,0,0]=4 4118 B17R0.1713 CC(=O)SCCCCNCCCCCCC(C)C 2230a_100000211014_200010402107 [0,1,0,0,0,0|3,0,0]=4 4119 B17R0.1713 CC(=O)SCCCCNCCCCCCC(C)C 34a_100000211014_200010402107 [0,1,0,0,0,0|3,0,0]=4 4120 B17R0.1713 CC(=O)SCCCOCCCCCCCC(C)C 34a_200000210741_100000038929 [0,1,0,0,0,0|3,0,0]=4 4121 B17R0.1713 CC(=O)SCCCOCCCCCCCC(C)C 7a_200000210741_100000038929 [0,1,0,0,0,0|3,0,0]=4 4122 B17R0.1713 CC(Br)COCCCCCCCCCCC(=O)N 34a_100012180447_200010167045 [0,1,0,0,0,0|2,0,0]=3 4123 B17R0.1713 CC(C)CCCCCCCOCCCCB(O)O 34a_200000210741_200009817182 [0,1,0,0,0,0|2,0,1]=4 4124 B17R0.1713 CC(C)CCCCCCCOCCCCB(O)O 7a_200000210741_200009817182 [0,1,0,0,0,0|2,0,1]=4 4125 B17R0.1713 CC(C)CCCCCCCOCCOCC(=O)N 34a_200000210741_100000076697 [0,1,0,0,0,0|3,0,0]=4 4126 B17R0.1713 CC(C)CCCCCCCOCCOCC(=O)N 7a_200000210741_100000076697 [0,1,0,0,0,0|3,0,0]=4 4127 B17R0.1713 CC(C)CCCCCCNCCCCCB(O)O 2230a_100000211014_200009817188 [0,1,0,0,0,0|2,0,1]=4 4128 B17R0.1713 CC(C)CCCCCCNCCCCCB(O)O 34a_100000211014_200009817188 [0,1,0,0,0,0|2,0,1]=4 4129 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 2230a_100000211014_100009817443 [0,1,0,0,0,0|2,0,0]=3 4130 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 34a_100000211014_100009817443 [0,1,0,0,0,0|2,0,0]=3 4131 B17R0.1713 CC(C)CCCCCNCCCCCCB(O)O 2230a_100011290863_100009817187 [0,1,0,0,0,0|2,0,1]=4 4132 B17R0.1713 CC(C)CCCCCNCCCCCCB(O)O 34a_100011290863_100009817187 [0,1,0,0,0,0|2,0,1]=4 4133 B17R0.1713 CC(C)CCCCCOCCCCCCB(O)O 34a_100011995859_100009817187 [0,1,0,0,0,0|2,0,1]=4 4134 B17R0.1713 CC(C)CCCCCOCCCCCCB(O)O 7a_100011995859_100009817187 [0,1,0,0,0,0|2,0,1]=4 4135 B17R0.1713 CC(C)CCCCCSCCCCCCB(O)O 62a_100000210682_100009817187 [0,1,0,0,0,0|2,0,1]=4 4136 B17R0.1713 CC(C)CCCCCSCCCCCCB(O)O 62a_100009817187_100000210682 [0,1,0,0,0,0|2,0,1]=4 4137 B17R0.1713 CC(C)CCCCNCCOCCOCC(=O)O 269956a_100009854275_100011216152 [0,1,0,0,0,0|3,0,0]=4 4138 B17R0.1713 CC(C)CNCCCCCCCCCCC(=O)N 2230a_100000210953_200010167045 [0,1,0,0,0,0|2,0,0]=3 4139 B17R0.1713 CC(C)CNCCCCCCCCCCC(=O)N 34a_100000210953_200010167045 [0,1,0,0,0,0|2,0,0]=3 4140 B17R0.1713 CC(C)COCCCCCCCCCCC(=O)N 34a_100000210257_200010167045 [0,1,0,0,0,0|2,0,0]=3 4141 B17R0.1713 CC(C)CSCCCCCCCCCCC(=O)N 62a_100000210624_200010167045 [0,1,0,0,0,0|2,0,0]=3 4142 B17R0.1713 CC(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000210760 [0,1,0,0,0,0|2,0,0]=3 4143 B17R0.1713 CC(C)NCCCCCOCCCCCC(=O)N 34a_100011629493_100009817443 [0,1,0,0,0,0|3,0,0]=4 4144 B17R0.1713 CC(F)COCCCCCCCCCCC(=O)N 34a_100015925927_200010167045 [0,1,0,0,0,0|2,0,0]=3 4145 B17R0.1713 CC(O)CNCCCCCCCCCCC(=O)N 2230a_100000210904_200010167045 [0,1,0,0,0,0|2,0,0]=3 4146 B17R0.1713 CC(O)CNCCCCCCCCCCC(=O)N 34a_100000210904_200010167045 [0,1,0,0,0,0|2,0,0]=3 4147 B17R0.1713 CC(O)CSCCCCCCCCCCC(=O)N 62a_100011218427_200010167045 [0,1,0,0,0,0|2,0,0]=3 4148 B17R0.1713 CC(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011218427 [0,1,0,0,0,0|2,0,0]=3 4149 B17R0.1713 C[C@@H](Cl)COCCCCCCCCCCC(=O)N 34a_100016084084_200010167045 [0,1,0,0,0,0|2,0,0]=3 4150 B17R0.1713 C[C@@H](N)COCCCCCCCCCCC(=O)N 34a_100000737577_200010167045 [0,1,0,0,0,0|2,0,0]=3 4151 B17R0.1713 C[C@@H](O)CSCCCCCCCCCCC(=O)N 62a_100009817552_200010167045 [0,1,0,0,0,0|2,0,0]=3 4152 B17R0.1713 C[C@@H](O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100009817552 [0,1,0,0,0,0|2,0,0]=3 4153 B17R0.1713 NC(=O)CCCCCCCCCCNCC(=O)O 269956a_100016091260_200010167045 [0,1,0,0,0,0|2,0,1]=4 4154 B17R0.1713 NC(=O)CCCCCCCCCCNCC(F)F 34a_100000765723_200010167045 [0,1,0,0,0,0|3,0,0]=4 4155 B17R0.1713 NC(=O)CCCCCCCCCCOCC(F)F 34a_100000743014_200010167045 [0,1,0,0,0,0|3,0,0]=4 4156 B17R0.1713 NC(=O)CCCCCCCCCCSCC(F)F 62a_100011934356_200010167045 [0,1,0,0,0,0|3,0,0]=4 4157 B17R0.1713 NC(=O)CCCCCCCCCCSCC(F)F 62a_200010167045_100011934356 [0,1,0,0,0,0|3,0,0]=4 4158 B17R0.8801 CCCCCCCCCC(=O)CCCCB(O)O 1458a_100000210558_200009817182 [0,1,0,0,0,0|1,0,2]=4 4159 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210558_100000735457 [0,1,0,0,0,0|1,0,1]=3 4160 B17R0.8801 CCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210670 [0,1,0,0,0,0|2,0,1]=4 4161 B17R0.8801 CCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210558_100000042594 [0,1,0,0,0,0|2,0,1]=4 4162 B17R0.8801 CCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210558_100000038929 [0,1,0,0,0,0|2,0,1]=4 4163 B17R0.8801 CCCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210558_100000076697 [0,1,0,0,0,0|2,0,1]=4 4164 B17R0.8801 CCCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210670 [0,1,0,0,0,0|2,0,1]=4 4165 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210558 [0,1,0,0,0,0|2,0,1]=4 4166 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210558 [0,1,0,0,0,0|2,0,1]=4 4167 B17R0.8801 CCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_200010990708 [0,1,0,0,0,0|2,0,1]=4 4168 B17R0.8801 CCCCCCCCCC(C)CNCCC(C)O 270004a_200000755665_200011218516 [0,1,0,0,0,0|2,0,1]=4 4169 B17R0.8801 CCCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100011215753 [0,1,0,0,0,0|3,0,0]=4 4170 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)C 34a_100011218016_100000685027 [0,1,0,0,0,0|2,0,0]=3 4171 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)C 7a_100011218016_100011215641 [0,1,0,0,0,0|2,0,0]=3 4172 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)N 34a_100011218016_100102525003 [0,1,0,0,0,0|2,0,0]=3 4173 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)N 7a_100011218016_100102525003 [0,1,0,0,0,0|2,0,0]=3 4174 B17R0.8801 CCCCCCCCCC(C)OCCCC(C)O 34a_100011218016_200000718107 [0,1,0,0,0,0|2,0,1]=4 4175 B17R0.8801 CCCCCCCCCC(C)OCCCC(C)O 7a_100011218016_200000718107 [0,1,0,0,0,0|2,0,1]=4 4176 B17R0.8801 CCCCCCCCCC(C)OCCNC(=O)C 7a_100011218016_100000189650 [0,1,0,0,0,0|3,0,0]=4 4177 B17R0.8801 CCCCCCCCCC(C)OCCNC(=O)N 7a_100011218016_200000034859 [0,1,0,0,0,0|3,0,0]=4 4178 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)C 34a_100011218016_100009814007 [0,1,0,0,0,0|3,0,0]=4 4179 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)C 7a_100011218016_100009814007 [0,1,0,0,0,0|3,0,0]=4 4180 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)N 34a_100011218016_200011214921 [0,1,0,0,0,0|3,0,0]=4 4181 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)N 7a_100011218016_200011214921 [0,1,0,0,0,0|3,0,0]=4 4182 B17R0.8801 CCCCCCCCCN(C)CCCCB(O)O 2230a_100000232482_200009817182 [0,1,0,0,0,0|2,0,1]=4 4183 B17R0.8801 CCCCCCCCCN(C)CCCCB(O)O 269982a_100000232482_200009817182 [0,1,0,0,0,0|2,0,1]=4 4184 B17R0.8801 CCCCCCCCCN(C)CCCCC(=O)C 269982a_100000232482_100000735457 [0,1,0,0,0,0|2,0,0]=3 4185 B17R0.8801 CCCCCCCCCN(C)CCCOC(=O)C 269982a_100000232482_100000042594 [0,1,0,0,0,0|3,0,0]=4 4186 B17R0.8801 CCCCCCCCCN(C)CCCSC(=O)C 2230a_100000232482_100000038929 [0,1,0,0,0,0|3,0,0]=4 4187 B17R0.8801 CCCCCCCCCN(C)CCCSC(=O)C 269982a_100000232482_100000038929 [0,1,0,0,0,0|3,0,0]=4 4188 B17R0.8801 CCCCCCCCCN(C)CCOCC(=O)N 2230a_100000232482_100000076697 [0,1,0,0,0,0|3,0,0]=4 4189 B17R0.8801 CCCCCCCCCN(C)CCOCC(=O)N 269982a_100000232482_100000076697 [0,1,0,0,0,0|3,0,0]=4 4190 B17R0.14245 C=C(C)C(=O)CCCCCCCCCCCCC 1458a_100000185857_100000210684 [0,1,0,0,0,0|2,0,1]=4 4191 B17R0.14245 C=C(C)C(C)NCCCCCCCCCCCC 269862a_100000210451_100011216138 [0,1,0,0,0,0|3,0,0]=4 4192 B17R0.14245 C=CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011093070 [0,1,0,0,0,0|1,0,2]=4 4193 B17R0.14245 C=CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100009814027 [0,1,0,0,0,0|1,0,2]=4 4194 B17R0.14245 C=CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100009814027 [0,1,0,0,0,0|1,0,2]=4 4195 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 34a_100000032740_100009813290 [0,1,0,0,0,0|3,0,0]=4 4196 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 7a_100000032740_100009813290 [0,1,0,0,0,0|3,0,0]=4 4197 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCBr 7a_100009812471_100000179758 [0,1,0,0,0,0|3,0,0]=4 4198 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCO 34a_100000212229_100009812471 [0,1,0,0,0,0|3,0,0]=4 4199 B17R0.14245 CC(=O)C(C)SCCCCCCCCCCCO 62a_100009812471_100009814033 [0,1,0,0,0,0|3,0,0]=4 4200 B17R0.14245 CC(CNCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813290 [0,1,0,0,0,0|2,0,0]=3 4201 B17R0.14245 CC(OCCCCCCCCCCCBr)C(=O)N 34a_100009812471_100000702099 [0,1,0,0,0,0|3,0,0]=4 4202 B17R0.14245 CC(OCCCCCCCCCCCBr)C(=O)N 7a_100009812471_100000702099 [0,1,0,0,0,0|3,0,0]=4 4203 B17R0.14245 CC(SCCCCCCCCCCCO)C(=O)N 62a_100009812471_100000702099 [0,1,0,0,0,0|3,0,0]=4 4204 B17R0.14245 CCCCC#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000043322 [0,1,0,0,0,0|1,0,2]=4 4205 B17R0.14245 CCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210684 [0,1,0,0,0,0|0,0,3]=4 4206 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210684 [0,1,0,0,0,0|1,0,2]=4 4207 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210684 [0,1,0,0,0,0|1,0,2]=4 4208 B17R0.14245 CCCCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011216122 [0,1,0,0,0,0|3,0,0]=4 4209 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N 240690a_100000210451_100011215815 [0,1,0,0,0,0|2,0,1]=4 4210 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)C 2230a_100000210451_100009814033 [0,1,0,0,0,0|2,0,0]=3 4211 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 2230a_100000210451_100000702099 [0,1,0,0,0,0|2,0,0]=3 4212 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 34a_100000210451_100000702099 [0,1,0,0,0,0|2,0,0]=3 4213 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 2230a_100000210451_100009813875 [0,1,0,0,0,0|2,0,0]=3 4214 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 34a_100000210451_100009813875 [0,1,0,0,0,0|2,0,0]=3 4215 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100000210451_100020610796 [0,1,0,0,0,0|1,0,1]=3 4216 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [0,1,0,0,0,0|1,0,0]=2 4217 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215052 [0,1,0,0,0,0|2,0,0]=3 4218 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_100011218549 [0,1,0,0,0,0|2,0,0]=3 4219 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000759014 [0,1,0,0,0,0|2,0,0]=3 4220 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000759014 [0,1,0,0,0,0|2,0,0]=3 4221 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 7a_100000210810_100000179758 [0,1,0,0,0,0|2,0,0]=3 4222 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 34a_100000210810_100000702099 [0,1,0,0,0,0|2,0,0]=3 4223 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 7a_100000210810_100000702099 [0,1,0,0,0,0|2,0,0]=3 4224 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 34a_100000210810_100009813875 [0,1,0,0,0,0|2,0,0]=3 4225 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 7a_100000210810_100009813875 [0,1,0,0,0,0|2,0,0]=3 4226 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210810_100020610796 [0,1,0,0,0,0|1,0,1]=3 4227 B17R0.14245 CCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000759014 [0,1,0,0,0,0|1,0,1]=3 4228 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000759014 [0,1,0,0,0,0|2,0,0]=3 4229 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000759014 [0,1,0,0,0,0|2,0,0]=3 4230 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000759014 [0,1,0,0,0,0|2,0,0]=3 4231 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000759014 [0,1,0,0,0,0|2,0,0]=3 4232 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000759014 [0,1,0,0,0,0|2,0,0]=3 4233 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000759014 [0,1,0,0,0,0|1,0,1]=3 4234 B17R0.14245 CCCCCCCCCCCNCC(=O)C(=O)C 34a_200011215754_100011261029 [0,1,0,0,0,0|2,0,1]=4 4235 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [0,1,0,0,0,0|1,0,0]=2 4236 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [0,1,0,0,0,0|1,0,0]=2 4237 B17R0.14245 CCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210809_100011261029 [0,1,0,0,0,0|2,0,1]=4 4238 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011215454 [0,1,0,0,0,0|2,0,0]=3 4239 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100011215454 [0,1,0,0,0,0|2,0,0]=3 4240 B17R0.14245 CCCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011215454 [0,1,0,0,0,0|2,0,1]=4 4241 B17R0.14245 CCCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100011215454 [0,1,0,0,0,0|2,0,1]=4 4242 B17R0.14245 CCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215454 [0,1,0,0,0,0|2,0,0]=3 4243 B17R0.14245 CCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215454 [0,1,0,0,0,0|2,0,1]=4 4244 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)C 7a_100009875440_100000179758 [0,1,0,0,0,0|3,0,0]=4 4245 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)N 34a_100009875440_100000702099 [0,1,0,0,0,0|3,0,0]=4 4246 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)N 7a_100009875440_100000702099 [0,1,0,0,0,0|3,0,0]=4 4247 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)N 34a_100009875440_100009813875 [0,1,0,0,0,0|3,0,0]=4 4248 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)N 7a_100009875440_100009813875 [0,1,0,0,0,0|3,0,0]=4 4249 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)[O-] 34a_100009875440_100020610796 [0,1,0,0,0,0|2,0,1]=4 4250 B17R0.14245 C[C@@H](NCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009812471 [0,1,0,0,0,0|3,0,0]=4 4251 B17R0.14245 C[C@@H](NCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009812471 [0,1,0,0,0,0|3,0,0]=4 4252 B17R0.14245 C[C@@H](OCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009812471 [0,1,0,0,0,0|3,0,0]=4 4253 B17R0.14245 C[C@@H](OCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009812471 [0,1,0,0,0,0|3,0,0]=4 4254 B17R0.14245 C[C@H](NCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009812471 [0,1,0,0,0,0|2,0,0]=3 4255 B17R0.14245 C[C@H](OCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009812471 [0,1,0,0,0,0|2,0,1]=4 4256 B17R0.14245 NC(=O)C(F)OCCCCCCCCCCCBr 34a_100009812471_100009813875 [0,1,0,0,0,0|3,0,0]=4 4257 B17R0.14245 NC(=O)C(F)OCCCCCCCCCCCBr 7a_100009812471_100009813875 [0,1,0,0,0,0|3,0,0]=4 4258 B17R0.14245 NC(=O)C(F)SCCCCCCCCCCCO 62a_100009812471_100009813875 [0,1,0,0,0,0|3,0,0]=4 4259 B17R0.14245 NC(=O)[C@@H](N)COCCCCCCCCCCO 34a_100000729942_100009813290 [0,1,0,0,0,0|3,0,0]=4 4260 B17R0.14245 O=C(O)C(F)CNCCCCCCCCCCO 269956a_100000084737_100009813290 [0,1,0,0,0,0|2,0,0]=3 4261 B17R0.14245 O=C([O-])C(F)OCCCCCCCCCCCBr 34a_100009812471_100020610796 [0,1,0,0,0,0|2,0,1]=4 4262 B17R0.14245 O=C([O-])C(F)SCCCCCCCCCCCO 62a_100009812471_100020610796 [0,1,0,0,0,0|2,0,1]=4 4263 B17R0.14363 CC(CF)OCCCCCCCCCCC(=O)N 34a_100016041109_200010167045 [0,1,0,0,0,0|3,0,0]=4 4264 B17R0.14363 CC(CF)OCCCCCCCCCCC(=O)N 7a_100016041109_200010167045 [0,1,0,0,0,0|3,0,0]=4 4265 B17R0.14363 CC(CN)OCCCCCCCCCCC(=O)N 34a_100000210904_200010167045 [0,1,0,0,0,0|3,0,0]=4 4266 B17R0.14363 CC(CO)SCCCCCCCCCCC(=O)N 62a_100012180447_200010167045 [0,1,0,0,0,0|3,0,0]=4 4267 B17R0.14363 CCC(C)CCCCCOCCCCCB(O)O 7a_200000035636_200009817188 [0,1,0,0,0,0|2,0,1]=4 4268 B17R0.14363 CCC(C)CCCCCOCCCCCC(=O)N 7a_200000035636_100009817443 [0,1,0,0,0,0|2,0,0]=3 4269 B17R0.14363 CCC(C)CCCCCOCCCCOC(=O)C 7a_200000035636_100000033659 [0,1,0,0,0,0|3,0,0]=4 4270 B17R0.14363 CCC(C)CCCCCOCCCCSC(=O)C 7a_200000035636_200010402107 [0,1,0,0,0,0|3,0,0]=4 4271 B17R0.14363 CCC(C)NCCCCCCCCCCC(=O)N 2230a_100000209981_200010167045 [0,1,0,0,0,0|2,0,0]=3 4272 B17R0.14363 CCC(C)OCCCCCCCCCCC(=O)N 7a_100000210228_200010167045 [0,1,0,0,0,0|2,0,0]=3 4273 B17R0.14363 CCC(C)SCCCCCCCCCCC(=O)N 62a_100000758301_200010167045 [0,1,0,0,0,0|2,0,0]=3 4274 B17R0.14363 CCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000758301 [0,1,0,0,0,0|2,0,0]=3 4275 B17R0.14363 COC(=O)CCCCCCCCCCCC(=O)C 1458a_100000070787_100010983606 [0,1,0,0,0,0|2,0,1]=4 4276 B17R0.14363 COC(=O)CCCCCCCCCNCC(=O)O 269956a_100016091260_100009813843 [0,1,0,0,0,0|2,0,1]=4 4277 B17R0.14363 COC(C)SCCCCCCCCCCC(=O)N 62a_100009879195_200010167045 [0,1,0,0,0,0|3,0,0]=4 4278 B17R0.14363 COC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100009879195 [0,1,0,0,0,0|3,0,0]=4 4279 B17R0.14363 C[C@H](CO)NCCCCCCCCCCC(=O)N 2230a_100000737577_200010167045 [0,1,0,0,0,0|3,0,0]=4 4280 B17R0.14363 C[C@H](CO)SCCCCCCCCCCC(=O)N 62a_100016084084_200010167045 [0,1,0,0,0,0|3,0,0]=4 4281 B17R0.14363 C[C@H](CO)SCCCCCCCCCCC(=O)N 62a_200010167045_100016084084 [0,1,0,0,0,0|3,0,0]=4 4282 B17R1.321 C#CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100010269958 [0,0,0,1,0,0|1,0,2]=4 4283 B17R1.321 C=CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215482 [0,0,0,1,0,0|1,0,2]=4 4284 B17R1.321 CC/C=C\CCN1CCCCC1CCC(=O)O 269956a_100000694054_100015370543 [0,0,0,1,0,0|1,0,2]=4 4285 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [0,0,0,1,0,0|1,0,0]=2 4286 B17R1.321 CCCCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100011995733 [0,0,0,1,0,0|2,0,0]=3 4287 B17R1.321 CCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215938 [0,0,0,1,0,0|2,0,0]=3 4288 B17R1.321 CCOCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100012232248 [0,0,0,1,0,0|2,0,0]=3 4289 B17R1.321 COCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000730899 [0,0,0,1,0,0|2,0,0]=3 4290 B17R1.321 COCCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000231047 [0,0,0,1,0,0|3,0,0]=4 4291 B17R1.321 N#CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011219923 [0,0,0,1,0,0|2,0,1]=4 4292 B17R1.321 O=C(O)CCC1CCCCN1CCCCCF 269956a_100000694054_100000729378 [0,0,0,1,0,0|2,0,0]=3 4293 B17R1.321 O=C(O)CCC1CCCCN1CCCCCO 269956a_100000694054_100000746330 [0,0,0,1,0,0|2,0,0]=3 4294 B17R1.321 O=C(O)CCC1CCCCN1CCOCCO 269956a_100000694054_100011215305 [0,0,0,1,0,0|3,0,0]=4 4295 B17R1.321 O=CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000139335 [0,0,0,1,0,0|2,0,1]=4 4296 B17R1.339 CCCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000189428 [0,0,0,1,0,0|2,0,0]=3 4297 B17R1.339 CCCCCCC1CCCC1NCCC(C)O 269862a_200000755665_100000189428 [0,0,0,1,0,0|2,0,1]=4 4298 B17R1.339 CCCCCCC1CCCC1NCCC(C)O 270004a_200000755665_100000189428 [0,0,0,1,0,0|2,0,1]=4 4299 B17R1.360 CCCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000723119 [0,0,0,1,0,0|3,0,0]=4 4300 B17R1.360 CCCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000723119 [0,0,0,1,0,0|3,0,0]=4 4301 B17R1.360 CCCN1CCCC1COCCCCC(=O)C 34a_200000694710_100009817362 [0,0,0,1,0,0|3,0,0]=4 4302 B17R1.360 CCCN1CCCC1COCCCCC(=O)C 7a_200000694710_100000735457 [0,0,0,1,0,0|3,0,0]=4 4303 B17R1.451 CC(=O)CCCCNCCN1CCCCC1C 34a_100000739827_100009817362 [0,0,0,1,0,0|3,0,0]=4 4304 B17R1.451 CC(=O)CCCCOCCN1CCCCC1C 34a_100011305533_100009817362 [0,0,0,1,0,0|3,0,0]=4 4305 B17R1.451 CC(=O)CCCCSCCC1CCCCN1C 62a_100000211948_100000735457 [0,0,0,1,0,0|3,0,0]=4 4306 B17R1.451 CC(=O)CCCCSCCC1CCCCN1C 62a_100000735457_100000211948 [0,0,0,1,0,0|3,0,0]=4 4307 B17R1.451 CC(=O)CCCNCCCN1CCCCC1C 34a_100000212276_100000685027 [0,0,0,1,0,0|3,0,0]=4 4308 B17R1.451 CC(=O)CCCOCCCN1CCCCC1C 34a_100000213889_100000685027 [0,0,0,1,0,0|3,0,0]=4 4309 B17R1.451 CC(=O)CCCOCCCN1CCCCC1C 7a_100000213889_100011215641 [0,0,0,1,0,0|3,0,0]=4 4310 B17R1.451 CC(=O)NCCCCCNC1CCCCC1C 269862a_200012022750_100000210921 [0,0,0,1,0,0|3,0,0]=4 4311 B17R1.451 CC(=O)NCCCCCNC1CCCCC1C 270004a_200012022750_100000210921 [0,0,0,1,0,0|3,0,0]=4 4312 B17R1.451 CC(=O)OCCCCCNC1CCCCC1C 2230a_100000211402_100009813381 [0,0,0,1,0,0|3,0,0]=4 4313 B17R1.451 CC(=O)OCCCCCNC1CCCCC1C 34a_100000211402_100000033007 [0,0,0,1,0,0|3,0,0]=4 4314 B17R1.451 CC(=O)OCCCCCOC1CCCCC1C 34a_100000211207_100000033007 [0,0,0,1,0,0|3,0,0]=4 4315 B17R1.451 CC(=O)OCCCCCOC1CCCCC1C 7a_100000211207_100000033007 [0,0,0,1,0,0|3,0,0]=4 4316 B17R1.451 CC1CCCCC1NCCCCCCB(O)O 2230a_100000211402_100009817187 [0,0,0,1,0,0|2,0,1]=4 4317 B17R1.451 CC1CCCCC1NCCCCCCB(O)O 34a_100000211402_100009817187 [0,0,0,1,0,0|2,0,1]=4 4318 B17R1.451 CC1CCCCC1OCCCCCCB(O)O 34a_100000211207_100009817187 [0,0,0,1,0,0|2,0,1]=4 4319 B17R1.451 CC1CCCCC1OCCCCCCB(O)O 7a_100000211207_100009817187 [0,0,0,1,0,0|2,0,1]=4 4320 B17R1.451 CC1CCCCN1CCCNCCCC(=O)N 34a_100000212276_100102525003 [0,0,0,1,0,0|3,0,0]=4 4321 B17R1.451 CC1CCCCN1CCCOCCCC(=O)N 34a_100000213889_100102525003 [0,0,0,1,0,0|3,0,0]=4 4322 B17R1.451 CC1CCCCN1CCCOCCCC(=O)N 7a_100000213889_100102525003 [0,0,0,1,0,0|3,0,0]=4 4323 B17R1.451 CN1CCCCC1CCNCCCCC(=O)N 34a_100000696515_100000211948 [0,0,0,1,0,0|3,0,0]=4 4324 B17R1.451 CN1CCCCC1CCNCCOCC(=O)O 269956a_100000700818_100000211948 [0,0,0,1,0,0|3,0,0]=4 4325 B17R1.451 CN1CCCCC1CCOCCCCC(=O)N 34a_100012022536_100000211948 [0,0,0,1,0,0|3,0,0]=4 4326 B17R1.451 CN1CCCCC1CCOCCCCC(=O)N 7a_100012022536_100000211948 [0,0,0,1,0,0|3,0,0]=4 4327 B17R1.451 CN1CCCCC1CNCCCCCC(=O)N 34a_100011228421_100009817443 [0,0,0,1,0,0|3,0,0]=4 4328 B17R1.451 CN1CCCCC1COCCCCCC(=O)N 34a_100000123541_100015186950 [0,0,0,1,0,0|3,0,0]=4 4329 B17R1.451 CN1CCCCC1COCCCCCC(=O)N 34a_100000225079_100009817443 [0,0,0,1,0,0|3,0,0]=4 4330 B17R1.451 CN1CCCCC1COCCCCCC(=O)N 7a_100000123541_100015185383 [0,0,0,1,0,0|3,0,0]=4 4331 B17R1.451 CN1CCCCC1COCCCCCC(=O)[O-] 7a_100102619762_100015185383 [0,0,0,1,0,0|2,0,1]=4 4332 B17R1.451 CN1CCCCC1CSCCCCCC(=O)N 62a_100009817443_100015185383 [0,0,0,1,0,0|3,0,0]=4 4333 B17R1.451 CN1CCCCC1CSCCCCCC(=O)N 62a_100015185383_100009817443 [0,0,0,1,0,0|3,0,0]=4 4334 B17R1.451 NC(=O)CCCCCNCC1CCCCC1O 34a_100011216029_100009817443 [0,0,0,1,0,0|3,0,0]=4 4335 B17R1.716 CCCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210320 [0,0,0,1,0,0|2,0,1]=4 4336 B17R1.716 CCCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210320 [0,0,0,1,0,0|2,0,1]=4 4337 B17R1.716 CCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210320 [0,0,0,1,0,0|3,0,0]=4 4338 B17R1.716 CCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210320 [0,0,0,1,0,0|3,0,0]=4 4339 B17R1.716 CCCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100011214924 [0,0,0,1,0,0|2,0,1]=4 4340 B17R1.716 CCCCCCCCCNC1CCCC(C1)O 270004a_100000212291_100012613340 [0,0,0,1,0,0|2,0,1]=4 4341 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011214924 [0,0,0,1,0,0|3,0,0]=4 4342 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011214924 [0,0,0,1,0,0|3,0,0]=4 4343 B17R1.716 CCCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100011214924 [0,0,0,1,0,0|3,0,0]=4 4344 B17R1.716 CCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011214924 [0,0,0,1,0,0|2,0,0]=3 4345 B17R1.716 CCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011214924 [0,0,0,1,0,0|3,0,0]=4 4346 B17R1.716 CCCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210759 [0,0,0,1,0,0|2,0,1]=4 4347 B17R1.716 CCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210759 [0,0,0,1,0,0|2,0,0]=3 4348 B17R1.716 CCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210759 [0,0,0,1,0,0|3,0,0]=4 4349 B17R1.716 CCCCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210759 [0,0,0,1,0,0|3,0,0]=4 4350 B17R1.716 COCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100011998445 [0,0,0,1,0,0|3,0,0]=4 4351 B17R1.716 O=C1CCCC(C1)OCCCCCCCCO 34a_100012613340_100000033203 [0,0,0,1,0,0|3,0,0]=4 4352 B17R1.716 O=C1CCCC(N1)COCCCCCCCO 34a_200000102386_100000760002 [0,0,0,1,0,0|3,0,0]=4 4353 B17R1.747 CCCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100011218038 [0,0,0,1,0,0|2,0,0]=3 4354 B17R1.747 CCCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100011218038 [0,0,0,1,0,0|2,0,0]=3 4355 B17R1.747 CCCC1CCCCC1NCCCNC(=O)C 269862a_100000736810_100011218038 [0,0,0,1,0,0|3,0,0]=4 4356 B17R1.747 CCCC1CCCCC1NCCCNC(=O)C 270004a_100000736810_100011218038 [0,0,0,1,0,0|3,0,0]=4 4357 B17R1.747 CCCC1CCCCC1OCCCCB(O)O 34a_100011217265_200009817182 [0,0,0,1,0,0|2,0,1]=4 4358 B17R1.747 CCCC1CCCCC1OCCCCB(O)O 7a_100011217265_200009817182 [0,0,0,1,0,0|2,0,1]=4 4359 B17R1.747 CCCC1CCCCC1OCCCCC(=O)C 34a_100011217265_100009817362 [0,0,0,1,0,0|2,0,0]=3 4360 B17R1.747 CCCC1CCCCC1OCCCCC(=O)C 7a_100011217265_100000735457 [0,0,0,1,0,0|2,0,0]=3 4361 B17R1.747 CCCC1CCCCC1OCCCOC(=O)C 34a_100011217265_100000042594 [0,0,0,1,0,0|3,0,0]=4 4362 B17R1.747 CCCC1CCCCC1OCCCOC(=O)C 7a_100011217265_100000042594 [0,0,0,1,0,0|3,0,0]=4 4363 B17R1.747 CCCC1CCCCC1OCCCSC(=O)C 34a_100011217265_100000038929 [0,0,0,1,0,0|3,0,0]=4 4364 B17R1.747 CCCC1CCCCC1OCCCSC(=O)C 7a_100011217265_100000038929 [0,0,0,1,0,0|3,0,0]=4 4365 B17R1.747 CCCC1CCCCC1OCCOCC(=O)N 34a_100011217265_100000076697 [0,0,0,1,0,0|3,0,0]=4 4366 B17R1.747 CCCC1CCCCC1OCCOCC(=O)N 7a_100011217265_100000076697 [0,0,0,1,0,0|3,0,0]=4 4367 B17R1.747 CCCC1CCCCN1CCCCCB(O)O 2230a_100000701414_200009817188 [0,0,0,1,0,0|2,0,1]=4 4368 B17R1.747 CCCC1CCCCN1CCCCCB(O)O 269982a_100000701414_200009817188 [0,0,0,1,0,0|2,0,1]=4 4369 B17R1.747 CCCC1CCCCN1CCCCCB(O)O 34a_100000701414_200009817188 [0,0,0,1,0,0|2,0,1]=4 4370 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 2230a_100000701414_100009817443 [0,0,0,1,0,0|2,0,0]=3 4371 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 269982a_100000701414_100009817443 [0,0,0,1,0,0|2,0,0]=3 4372 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 34a_100000701414_100009817443 [0,0,0,1,0,0|2,0,0]=3 4373 B17R1.747 CCCC1CCCCN1CCCCOC(=O)C 269982a_100000701414_100000033659 [0,0,0,1,0,0|3,0,0]=4 4374 B17R1.747 CCCC1CCCCN1CCCCOC(=O)C 34a_100000701414_100000033659 [0,0,0,1,0,0|3,0,0]=4 4375 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 2230a_100000701414_200010402107 [0,0,0,1,0,0|3,0,0]=4 4376 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 269982a_100000701414_200010402107 [0,0,0,1,0,0|3,0,0]=4 4377 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 34a_100000701414_200010402107 [0,0,0,1,0,0|3,0,0]=4 4378 B17R1.747 CCCC1COCCN1CCCCCC(=O)N 2230a_102495339903_100009817443 [0,0,0,1,0,0|3,0,0]=4 4379 B17R1.747 CCCC1COCCN1CCCCCC(=O)N 269982a_102495339903_100009817443 [0,0,0,1,0,0|3,0,0]=4 4380 B17R1.747 CCCC1COCCN1CCCCCC(=O)N 34a_102495339903_100009817443 [0,0,0,1,0,0|3,0,0]=4 4381 B17R1.747 CCOC1CCCCC1NCCCCC(=O)N 270004a_100000696515_200000031474 [0,0,0,1,0,0|3,0,0]=4 4382 B17R1.747 COCC1CCCCN1CCCCCC(=O)N 2230a_100015184032_100009817443 [0,0,0,1,0,0|3,0,0]=4 4383 B17R1.747 COCC1CCCCN1CCCCCC(=O)N 269982a_100015184032_100009817443 [0,0,0,1,0,0|3,0,0]=4 4384 B17R1.747 COCC1CCCCN1CCCCCC(=O)N 34a_100015184032_100009817443 [0,0,0,1,0,0|3,0,0]=4 4385 B17R1.747 NC(=O)CCCCCN1CCCCC1CCO 2230a_100000211664_100009817443 [0,0,0,1,0,0|3,0,0]=4 4386 B17R1.747 NC(=O)CCCCCN1CCCCC1CCO 269982a_100000211664_100009817443 [0,0,0,1,0,0|3,0,0]=4 4387 B17R1.747 NC(=O)CCCCCN1CCCCC1CCO 34a_100000211664_100009817443 [0,0,0,1,0,0|3,0,0]=4 4388 B17R1.1241 CCCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100011215454 [0,0,0,1,0,0|2,0,1]=4 4389 B17R1.1241 CCCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100011215454 [0,0,0,1,0,0|2,0,1]=4 4390 B17R1.1241 CCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215454 [0,0,0,1,0,0|3,0,0]=4 4391 B17R1.1241 CCCCCCCCCCNC1CCC(C1)O 270004a_100000684558_100012614533 [0,0,0,1,0,0|2,0,1]=4 4392 B17R1.1241 CCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210320 [0,0,0,1,0,0|3,0,0]=4 4393 B17R1.1241 CCCCCCCCCCNC1COC(=O)O1 34a_100000684558_100000032252 [0,0,0,1,0,0|2,0,0]=3 4394 B17R1.1241 CCCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210320 [0,0,0,1,0,0|2,0,1]=4 4395 B17R1.1241 CCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210320 [0,0,0,1,0,0|2,0,0]=3 4396 B17R1.1241 CCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210320 [0,0,0,1,0,0|3,0,0]=4 4397 B17R1.1241 CCCCCCCCCCOC1COC(=O)O1 34a_100000210711_100000032252 [0,0,0,1,0,0|2,0,0]=3 4398 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100011214924 [0,0,0,1,0,0|3,0,0]=4 4399 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100011214924 [0,0,0,1,0,0|3,0,0]=4 4400 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 2230a_100000212291_100000181169 [0,0,0,1,0,0|2,0,0]=3 4401 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 34a_100000212291_100000181169 [0,0,0,1,0,0|2,0,0]=3 4402 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [0,0,0,1,0,0|2,0,0]=3 4403 B17R1.1241 CCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000212291_100015189358 [0,0,0,1,0,0|2,0,0]=3 4404 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214924 [0,0,0,1,0,0|2,0,0]=3 4405 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214924 [0,0,0,1,0,0|2,0,0]=3 4406 B17R1.1241 CCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000212291_100015307671 [0,0,0,1,0,0|3,0,0]=4 4407 B17R1.1241 CCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000212291_100015307671 [0,0,0,1,0,0|3,0,0]=4 4408 B17R1.1241 CCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011214924 [0,0,0,1,0,0|2,0,0]=3 4409 B17R1.1241 CCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100011214924 [0,0,0,1,0,0|3,0,0]=4 4410 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100000210712_100000181169 [0,0,0,1,0,0|2,0,0]=3 4411 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011214924 [0,0,0,1,0,0|2,0,0]=3 4412 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 7a_100000210712_100000181169 [0,0,0,1,0,0|2,0,0]=3 4413 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [0,0,0,1,0,0|2,0,0]=3 4414 B17R1.1241 CCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210712_100015189358 [0,0,0,1,0,0|2,0,0]=3 4415 B17R1.1241 CCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210712_100015307671 [0,0,0,1,0,0|3,0,0]=4 4416 B17R1.1241 CCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210712_100015307671 [0,0,0,1,0,0|3,0,0]=4 4417 B17R1.1241 CCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210670 [0,0,0,1,0,0|2,0,0]=3 4418 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [0,0,0,1,0,0|2,0,0]=3 4419 B17R1.1241 CCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210670 [0,0,0,1,0,0|2,0,0]=3 4420 B17R1.1241 CCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210670 [0,0,0,1,0,0|3,0,0]=4 4421 B17R1.1241 CCCCCCCCOCCC1COS(=O)O1 7a_100000210232_100009840081 [0,0,0,1,0,0|3,0,0]=4 4422 B17R1.1241 CCCCCCCCSCCC1COS(=O)O1 62a_100000210759_100009840081 [0,0,0,1,0,0|3,0,0]=4 4423 B17R1.1241 CCCCCCOCCOCC1CNC(=O)O1 34a_100000691444_100000181169 [0,0,0,1,0,0|3,0,0]=4 4424 B17R1.1241 CCCCCCOCCOCC1CNC(=O)O1 7a_100000691444_100000181169 [0,0,0,1,0,0|3,0,0]=4 4425 B17R1.1241 CCCCCCOCCOCC1COC(=O)O1 34a_100000691444_100000073702 [0,0,0,1,0,0|3,0,0]=4 4426 B17R1.1241 CCCCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000691444_100015189358 [0,0,0,1,0,0|3,0,0]=4 4427 B17R1.1241 CCCCNCCCCOCC1CNC(=O)O1 34a_200011216965_100000181169 [0,0,0,1,0,0|3,0,0]=4 4428 B17R1.1241 CCCCNCCCCOCC1COC(=O)O1 34a_200011216965_100000073702 [0,0,0,1,0,0|3,0,0]=4 4429 B17R1.1241 CCCCOCCCCOCC1CNC(=O)O1 34a_200000760531_100000181169 [0,0,0,1,0,0|3,0,0]=4 4430 B17R1.1241 CCCCOCCCCOCC1CNC(=O)O1 7a_200000760531_100000181169 [0,0,0,1,0,0|3,0,0]=4 4431 B17R1.1241 CCCCOCCCCOCC1COC(=O)O1 34a_200000760531_100000073702 [0,0,0,1,0,0|3,0,0]=4 4432 B17R1.1241 CCCCOCCCCOC[C@@H]1CCC(=O)N1 7a_200000760531_100015189358 [0,0,0,1,0,0|3,0,0]=4 4433 B17R1.1241 NCCCCCCCCCOC1COC(=O)O1 34a_100000078944_100000032252 [0,0,0,1,0,0|3,0,0]=4 4434 B17R1.1241 NCCCCCCCCOCC1CNC(=O)O1 34a_102515433106_100000181169 [0,0,0,1,0,0|3,0,0]=4 4435 B17R1.1241 NCCCCCCCCOCC1COC(=O)O1 34a_102515433106_100000073702 [0,0,0,1,0,0|3,0,0]=4 4436 B17R1.1241 O=C1CCC(C1)OCCCCCCCCCO 34a_100012614533_100009813782 [0,0,0,1,0,0|3,0,0]=4 4437 B17R1.1241 O=C1CCC(N1)COCCCCCCCCO 34a_100000737831_100000033203 [0,0,0,1,0,0|3,0,0]=4 4438 B17R1.1241 O=C1CC[C@@H](N1)CNCCCCCCCCO 2230a_100015423886_100000033203 [0,0,0,1,0,0|3,0,0]=4 4439 B17R1.1241 O=C1CC[C@@H](N1)CNCCCCCCCCO 34a_100015423886_100000033203 [0,0,0,1,0,0|3,0,0]=4 4440 B17R1.1241 O=C1CC[C@H](N1)CNCCCCCCCCO 2230a_102515433106_100015189358 [0,0,0,1,0,0|3,0,0]=4 4441 B17R1.1241 O=C1CC[C@H](N1)COCCCCCCCCBr 7a_100009813846_100015189358 [0,0,0,1,0,0|3,0,0]=4 4442 B17R1.1241 O=C1CC[C@H](N1)COCCCCCCCCCl 7a_100000033203_100015189358 [0,0,0,1,0,0|3,0,0]=4 4443 B17R1.1241 O=C1CC[C@H](N1)CSCCCCCCCCO 62a_100000033203_100015189358 [0,0,0,1,0,0|3,0,0]=4 4444 B17R1.1241 O=C1CC[C@H](N1)CSCCCCCCCCO 62a_100015189358_100000033203 [0,0,0,1,0,0|3,0,0]=4 4445 B17R1.1241 O=C1NCC(O1)CNCCCCCCCCO 2230a_102515433106_100000181169 [0,0,0,1,0,0|3,0,0]=4 4446 B17R1.1241 O=C1NCC(O1)CNCCCCCCCCO 34a_102515433106_100000181169 [0,0,0,1,0,0|3,0,0]=4 4447 B17R1.1241 O=C1NCC(O1)COCCCCCCCCBr 34a_100009813846_100000181169 [0,0,0,1,0,0|3,0,0]=4 4448 B17R1.1241 O=C1NCC(O1)COCCCCCCCCBr 7a_100009813846_100000181169 [0,0,0,1,0,0|3,0,0]=4 4449 B17R1.1241 O=C1NCC(O1)COCCCCCCCCCl 34a_100000033203_100000181169 [0,0,0,1,0,0|3,0,0]=4 4450 B17R1.1241 O=C1NCC(O1)COCCCCCCCCCl 7a_100000033203_100000181169 [0,0,0,1,0,0|3,0,0]=4 4451 B17R1.1241 O=C1NCC(O1)COCCCCCCCCO 34a_100011315639_100000033203 [0,0,0,1,0,0|3,0,0]=4 4452 B17R1.1241 O=C1NCC(O1)CSCCCCCCCCO 62a_100000033203_100000181169 [0,0,0,1,0,0|3,0,0]=4 4453 B17R1.1241 O=C1NCC(O1)CSCCCCCCCCO 62a_100000181169_100000033203 [0,0,0,1,0,0|3,0,0]=4 4454 B17R1.1241 O=C1OCC(O1)CNCCCCCCCCO 34a_102515433106_100000073702 [0,0,0,1,0,0|3,0,0]=4 4455 B17R1.1241 O=C1OCC(O1)COCCCCCCCCBr 34a_100009813846_100000073702 [0,0,0,1,0,0|3,0,0]=4 4456 B17R1.1241 O=C1OCC(O1)COCCCCCCCCCl 34a_100000033203_100000073702 [0,0,0,1,0,0|3,0,0]=4 4457 B17R1.1241 O=C1OCC(O1)CSCCCCCCCCO 62a_100000033203_100000073702 [0,0,0,1,0,0|3,0,0]=4 4458 B17R1.1241 O=C1OCC(O1)CSCCCCCCCCO 62a_100000073702_100000033203 [0,0,0,1,0,0|3,0,0]=4 4459 B17R1.1241 O=C1OCC(O1)NCCCCCCCCCO 34a_100000078944_100000032252 [0,0,0,1,0,0|3,0,0]=4 4460 B17R1.1241 O=C1OCC(O1)OCCCCCCCCCBr 34a_100009813782_100000032252 [0,0,0,1,0,0|3,0,0]=4 4461 B17R1.1241 O=C1OCC(O1)OCCCCCCCCCCl 34a_100009868337_100000032252 [0,0,0,1,0,0|3,0,0]=4 4462 B17R1.1241 O=C1OCC(O1)SCCCCCCCCCO 62a_100009813782_100000032252 [0,0,0,1,0,0|3,0,0]=4 4463 B17R1.1294 CC(=O)CCCCN1CCCCC1CCCO 269982a_100011934581_100000735457 [0,0,0,1,0,0|3,0,0]=4 4464 B17R1.1294 CC(=O)CCCCN1CCCCC1CCCO 34a_100011934581_100009817362 [0,0,0,1,0,0|3,0,0]=4 4465 B17R1.1294 COCCC1CCCCN1CCCCC(=O)C 269982a_100015186528_100000735457 [0,0,0,1,0,0|3,0,0]=4 4466 B17R1.1294 COCCC1CCCCN1CCCCC(=O)C 34a_100015186528_100009817362 [0,0,0,1,0,0|3,0,0]=4 4467 B17R1.1307 CCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000750825 [0,0,0,1,0,0|2,0,0]=3 4468 B17R1.1307 CCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000750825 [0,0,0,1,0,0|2,0,0]=3 4469 B17R1.1307 CCCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000750825 [0,0,0,1,0,0|3,0,0]=4 4470 B17R1.1307 CCCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000750825 [0,0,0,1,0,0|3,0,0]=4 4471 B17R1.1311 CC(=O)CCCCNCCCC1CCCCC1 34a_100011211642_100009817362 [0,0,0,1,0,0|2,0,0]=3 4472 B17R1.1311 CC(=O)CCCCNCCOC1CCCCC1 34a_100015206981_100009817362 [0,0,0,1,0,0|3,0,0]=4 4473 B17R1.1311 CC(=O)CCCCOCCCC1CCCCC1 34a_100000198086_100009817362 [0,0,0,1,0,0|2,0,0]=3 4474 B17R1.1311 CC(=O)CCCCOCCCC1CCCCC1 7a_100000198086_100000735457 [0,0,0,1,0,0|2,0,0]=3 4475 B17R1.1311 CC(=O)CCCCOCCCC1CCCCN1 34a_100011934581_100009817362 [0,0,0,1,0,0|3,0,0]=4 4476 B17R1.1311 CC(=O)CCCCOCCCC1CCCNC1 34a_100150707839_100009817362 [0,0,0,1,0,0|3,0,0]=4 4477 B17R1.1311 CC(=O)CCCCOCCCC1CCNCC1 34a_100016988962_100009817362 [0,0,0,1,0,0|3,0,0]=4 4478 B17R1.1311 CC(=O)CCCCOCCCN1CCCCC1 34a_100000212458_100009817362 [0,0,0,1,0,0|3,0,0]=4 4479 B17R1.1311 CC(=O)CCCCOCCNC1CCCCC1 34a_100000200466_100009817362 [0,0,0,1,0,0|3,0,0]=4 4480 B17R1.1311 CC(=O)CCCCOCCOC1CCCCC1 34a_100011249652_100009817362 [0,0,0,1,0,0|3,0,0]=4 4481 B17R1.1311 CC(=O)CCCCOCCOC1CCCCC1 7a_100011249652_100000735457 [0,0,0,1,0,0|3,0,0]=4 4482 B17R1.1311 CC(=O)CCCCSCCCC1CCCCC1 62a_100000735457_100011713725 [0,0,0,1,0,0|2,0,0]=3 4483 B17R1.1311 CC(=O)CCCCSCCCC1CCCCC1 62a_100011713725_100000735457 [0,0,0,1,0,0|2,0,0]=3 4484 B17R1.1311 CC(=O)CCCCSCCCN1CCCCC1 62a_100000735457_100000007876 [0,0,0,1,0,0|3,0,0]=4 4485 B17R1.1311 CC(=O)CCCCSCCCN1CCCCC1 62a_100132302099_100000735457 [0,0,0,1,0,0|3,0,0]=4 4486 B17R1.1311 CC(=O)CCCCSCCOC1CCCCC1 62a_100000735457_100011211530 [0,0,0,1,0,0|3,0,0]=4 4487 B17R1.1311 CC(=O)CCCCSCCOC1CCCCC1 62a_100011211530_100000735457 [0,0,0,1,0,0|3,0,0]=4 4488 B17R1.1311 CC(=O)CCCNCCCOC1CCCCC1 34a_100000205933_100000685027 [0,0,0,1,0,0|3,0,0]=4 4489 B17R1.1311 CC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100000685027 [0,0,0,1,0,0|2,0,0]=3 4490 B17R1.1311 CC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100011215641 [0,0,0,1,0,0|2,0,0]=3 4491 B17R1.1311 CC(=O)CCCOCCCCC1CCNCC1 34a_100016989291_100000685027 [0,0,0,1,0,0|3,0,0]=4 4492 B17R1.1311 CC(=O)CCOCCCCCN1CCCCC1 7a_100011216611_100000053229 [0,0,0,1,0,0|3,0,0]=4 4493 B17R1.1311 CC(=O)NCCCCCCNC1CCCCC1 270004a_200011996284_100000210434 [0,0,0,1,0,0|3,0,0]=4 4494 B17R1.1311 CC(=O)NCCCCCCNC1CCCCC1 34a_200011996284_100000210327 [0,0,0,1,0,0|3,0,0]=4 4495 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 2230a_200012022750_100000211423 [0,0,0,1,0,0|3,0,0]=4 4496 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 269862a_200012022750_100000211278 [0,0,0,1,0,0|3,0,0]=4 4497 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 34a_200012022750_100000211423 [0,0,0,1,0,0|3,0,0]=4 4498 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 2230a_200011368371_100012355289 [0,0,0,1,0,0|3,0,0]=4 4499 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 270004a_200011368371_100011713444 [0,0,0,1,0,0|3,0,0]=4 4500 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 34a_200011368371_100011209188 [0,0,0,1,0,0|3,0,0]=4 4501 B17R1.1311 CC(=O)NCCCNCCCC1CCCCC1 34a_100000736810_100011713725 [0,0,0,1,0,0|3,0,0]=4 4502 B17R1.1311 CC(=O)NCCCOCCCC1CCCCC1 34a_100000752032_100011713725 [0,0,0,1,0,0|3,0,0]=4 4503 B17R1.1311 CC(=O)NCCOCCCCC1CCCCC1 7a_100011215267_100000189650 [0,0,0,1,0,0|3,0,0]=4 4504 B17R1.1311 CC(=O)OCCCCCNCC1CCCCC1 2230a_100000210473_100009813381 [0,0,0,1,0,0|3,0,0]=4 4505 B17R1.1311 CC(=O)OCCCCCNCC1CCCCC1 34a_100000210473_100000033007 [0,0,0,1,0,0|3,0,0]=4 4506 B17R1.1311 CC(=O)OCCCCCOCC1CCCCC1 34a_100000212181_100000033007 [0,0,0,1,0,0|3,0,0]=4 4507 B17R1.1311 CC(=O)OCCCCCOCC1CCCCC1 7a_100000212181_100000033007 [0,0,0,1,0,0|3,0,0]=4 4508 B17R1.1311 CC(=O)OCCCCCSCC1CCCCC1 62a_100000033007_100000211423 [0,0,0,1,0,0|3,0,0]=4 4509 B17R1.1311 CC(=O)OCCCCCSCC1CCCCC1 62a_100000211423_100000033007 [0,0,0,1,0,0|3,0,0]=4 4510 B17R1.1311 CC(=O)OCCCCNCCC1CCCCC1 34a_100000738074_100000033659 [0,0,0,1,0,0|3,0,0]=4 4511 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 34a_100000073216_100011209188 [0,0,0,1,0,0|3,0,0]=4 4512 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 34a_100011217863_100000033659 [0,0,0,1,0,0|3,0,0]=4 4513 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 7a_100000073216_100011273959 [0,0,0,1,0,0|3,0,0]=4 4514 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 7a_100011217863_100000033659 [0,0,0,1,0,0|3,0,0]=4 4515 B17R1.1311 CC(=O)OCCCCSCCC1CCCCC1 62a_100000033659_100012355289 [0,0,0,1,0,0|3,0,0]=4 4516 B17R1.1311 CC(=O)OCCCCSCCC1CCCCC1 62a_100012355289_100000033659 [0,0,0,1,0,0|3,0,0]=4 4517 B17R1.1311 CC(=O)OCCCNCCCC1CCCCC1 34a_100011211642_100000042594 [0,0,0,1,0,0|3,0,0]=4 4518 B17R1.1311 CC(=O)OCCCOCCCC1CCCCC1 34a_100000198086_100000042594 [0,0,0,1,0,0|3,0,0]=4 4519 B17R1.1311 CC(=O)OCCCOCCCC1CCCCC1 7a_100000198086_100000042594 [0,0,0,1,0,0|3,0,0]=4 4520 B17R1.1311 CC(=O)OCCCSCCCC1CCCCC1 62a_100000042594_100011713725 [0,0,0,1,0,0|3,0,0]=4 4521 B17R1.1311 CC(=O)OCCCSCCCC1CCCCC1 62a_100011713725_100000042594 [0,0,0,1,0,0|3,0,0]=4 4522 B17R1.1311 CC(=O)OCCOCCCCC1CCCCC1 34a_100011215267_100009814007 [0,0,0,1,0,0|3,0,0]=4 4523 B17R1.1311 CC(=O)OCCOCCCCC1CCCCC1 7a_100011215267_100009814007 [0,0,0,1,0,0|3,0,0]=4 4524 B17R1.1311 CC(=O)SCCCCCCNC1CCCCC1 270004a_100000704104_100000210434 [0,0,0,1,0,0|3,0,0]=4 4525 B17R1.1311 CC(=O)SCCCCNCCC1CCCCC1 2230a_100000738074_200010402107 [0,0,0,1,0,0|3,0,0]=4 4526 B17R1.1311 CC(=O)SCCCCNCCC1CCCCC1 34a_100000738074_200010402107 [0,0,0,1,0,0|3,0,0]=4 4527 B17R1.1311 CC(=O)SCCCCOCCC1CCCCC1 34a_100011217863_200010402107 [0,0,0,1,0,0|3,0,0]=4 4528 B17R1.1311 CC(=O)SCCCCOCCC1CCCCC1 7a_100011217863_200010402107 [0,0,0,1,0,0|3,0,0]=4 4529 B17R1.1311 CC(=O)SCCCCSCCC1CCCCC1 62a_100012355289_200010402107 [0,0,0,1,0,0|3,0,0]=4 4530 B17R1.1311 CC(=O)SCCCCSCCC1CCCCC1 62a_200010402107_100012355289 [0,0,0,1,0,0|3,0,0]=4 4531 B17R1.1311 CC(=O)SCCCNCCCC1CCCCC1 2230a_100011211642_100000038929 [0,0,0,1,0,0|3,0,0]=4 4532 B17R1.1311 CC(=O)SCCCNCCCC1CCCCC1 34a_100011211642_100000038929 [0,0,0,1,0,0|3,0,0]=4 4533 B17R1.1311 CC(=O)SCCCOCCCC1CCCCC1 34a_100000198086_100000038929 [0,0,0,1,0,0|3,0,0]=4 4534 B17R1.1311 CC(=O)SCCCOCCCC1CCCCC1 7a_100000198086_100000038929 [0,0,0,1,0,0|3,0,0]=4 4535 B17R1.1311 CC(=O)SCCCSCCCC1CCCCC1 62a_100000038929_100011713725 [0,0,0,1,0,0|3,0,0]=4 4536 B17R1.1311 CC(=O)SCCCSCCCC1CCCCC1 62a_100011713725_100000038929 [0,0,0,1,0,0|3,0,0]=4 4537 B17R1.1311 CC(O)CCCOCCCCC1CCCCC1 34a_100011215267_200000718107 [0,0,0,1,0,0|2,0,1]=4 4538 B17R1.1311 CC(O)CCCOCCCCC1CCCCC1 7a_100011215267_200000718107 [0,0,0,1,0,0|2,0,1]=4 4539 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 2230a_100000738074_100009817443 [0,0,0,1,0,0|2,0,0]=3 4540 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 34a_100000738074_100009817443 [0,0,0,1,0,0|2,0,0]=3 4541 B17R1.1311 NC(=O)CCCCCNCCC1CCCCO1 2230a_100015183643_100009817443 [0,0,0,1,0,0|3,0,0]=4 4542 B17R1.1311 NC(=O)CCCCCNCCC1CCCCO1 34a_100015183643_100009817443 [0,0,0,1,0,0|3,0,0]=4 4543 B17R1.1311 NC(=O)CCCCCNCCC1CCOCC1 2230a_100000755988_100009817443 [0,0,0,1,0,0|3,0,0]=4 4544 B17R1.1311 NC(=O)CCCCCNCCC1CCOCC1 34a_100000755988_100009817443 [0,0,0,1,0,0|3,0,0]=4 4545 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100000123541_100011209188 [0,0,0,1,0,0|2,0,0]=3 4546 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100011217863_100009817443 [0,0,0,1,0,0|2,0,0]=3 4547 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100000123541_100011273959 [0,0,0,1,0,0|2,0,0]=3 4548 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100011217863_100009817443 [0,0,0,1,0,0|2,0,0]=3 4549 B17R1.1311 NC(=O)CCCCCOCCC1CCCCN1 34a_100000211664_100009817443 [0,0,0,1,0,0|3,0,0]=4 4550 B17R1.1311 NC(=O)CCCCCOCCC1CCCNC1 34a_100000752241_100009817443 [0,0,0,1,0,0|3,0,0]=4 4551 B17R1.1311 NC(=O)CCCCCOCCC1CCNCC1 34a_100015190746_100009817443 [0,0,0,1,0,0|3,0,0]=4 4552 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 34a_100000123541_100011934994 [0,0,0,1,0,0|3,0,0]=4 4553 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 34a_100011933979_100009817443 [0,0,0,1,0,0|3,0,0]=4 4554 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 7a_100000123541_100011934994 [0,0,0,1,0,0|3,0,0]=4 4555 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 7a_100011933979_100009817443 [0,0,0,1,0,0|3,0,0]=4 4556 B17R1.1311 NC(=O)CCCCCOCCN1CCCCC1 34a_100000123541_100000739454 [0,0,0,1,0,0|3,0,0]=4 4557 B17R1.1311 NC(=O)CCCCCOCCN1CCCCC1 7a_100000123541_100000739454 [0,0,0,1,0,0|3,0,0]=4 4558 B17R1.1311 NC(=O)CCCCCOCOC1CCCCC1 34a_100000123541_100011935260 [0,0,0,1,0,0|3,0,0]=4 4559 B17R1.1311 NC(=O)CCCCCOCOC1CCCCC1 7a_100000123541_100011935260 [0,0,0,1,0,0|3,0,0]=4 4560 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100009817443_100012355289 [0,0,0,1,0,0|2,0,0]=3 4561 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100012355289_100009817443 [0,0,0,1,0,0|2,0,0]=3 4562 B17R1.1311 NC(=O)CCCCCSCCC1CCOCC1 62a_100009817443_100011934994 [0,0,0,1,0,0|3,0,0]=4 4563 B17R1.1311 NC(=O)CCCCCSCCC1CCOCC1 62a_100011934994_100009817443 [0,0,0,1,0,0|3,0,0]=4 4564 B17R1.1311 NC(=O)CCCCCSCCN1CCCCC1 62a_100000739454_100009817443 [0,0,0,1,0,0|3,0,0]=4 4565 B17R1.1311 NC(=O)CCCCCSCCN1CCCCC1 62a_100009817443_100000739454 [0,0,0,1,0,0|3,0,0]=4 4566 B17R1.1311 NC(=O)CCCCCSCOC1CCCCC1 62a_100009817443_100011935260 [0,0,0,1,0,0|3,0,0]=4 4567 B17R1.1311 NC(=O)CCCCCSCOC1CCCCC1 62a_100011935260_100009817443 [0,0,0,1,0,0|3,0,0]=4 4568 B17R1.1311 NC(=O)CCCCNCCCC1CCCCC1 34a_100000696515_100011713725 [0,0,0,1,0,0|2,0,0]=3 4569 B17R1.1311 NC(=O)CCCCNCCCN1CCCCC1 34a_100000696515_100000690320 [0,0,0,1,0,0|3,0,0]=4 4570 B17R1.1311 NC(=O)CCCCNCCOC1CCCCC1 34a_100000696515_100011211530 [0,0,0,1,0,0|3,0,0]=4 4571 B17R1.1311 NC(=O)CCCCOCCCC1CCCCC1 34a_100012022536_100011713725 [0,0,0,1,0,0|2,0,0]=3 4572 B17R1.1311 NC(=O)CCCCOCCCC1CCCCC1 7a_100012022536_100011713725 [0,0,0,1,0,0|2,0,0]=3 4573 B17R1.1311 NC(=O)CCCCOCCCN1CCCCC1 34a_100012022536_100000690320 [0,0,0,1,0,0|3,0,0]=4 4574 B17R1.1311 NC(=O)CCCCOCCCN1CCCCC1 7a_100012022536_100000007876 [0,0,0,1,0,0|3,0,0]=4 4575 B17R1.1311 NC(=O)CCCCOCCOC1CCCCC1 34a_100012022536_100011211530 [0,0,0,1,0,0|3,0,0]=4 4576 B17R1.1311 NC(=O)CCCCOCCOC1CCCCC1 7a_100012022536_100011211530 [0,0,0,1,0,0|3,0,0]=4 4577 B17R1.1311 NC(=O)CCCNCCCOC1CCCCC1 34a_100000205933_100102525003 [0,0,0,1,0,0|3,0,0]=4 4578 B17R1.1311 NC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100102525003 [0,0,0,1,0,0|2,0,0]=3 4579 B17R1.1311 NC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100102525003 [0,0,0,1,0,0|2,0,0]=3 4580 B17R1.1311 NC(=O)CCCOCCCCC1CCNCC1 34a_100016989291_100102525003 [0,0,0,1,0,0|3,0,0]=4 4581 B17R1.1311 NC(=O)CCOCCCCCN1CCCCC1 34a_100011216611_100000731001 [0,0,0,1,0,0|3,0,0]=4 4582 B17R1.1311 NC(=O)CCOCCCCCN1CCCCC1 7a_100011216611_100000744528 [0,0,0,1,0,0|3,0,0]=4 4583 B17R1.1311 NC(=O)COCCNCCCC1CCCCC1 2230a_100011211642_100000076697 [0,0,0,1,0,0|3,0,0]=4 4584 B17R1.1311 NC(=O)COCCNCCCC1CCCCC1 34a_100011211642_100000076697 [0,0,0,1,0,0|3,0,0]=4 4585 B17R1.1311 NC(=O)COCCOCCCC1CCCCC1 34a_100000198086_100000076697 [0,0,0,1,0,0|3,0,0]=4 4586 B17R1.1311 NC(=O)COCCOCCCC1CCCCC1 7a_100000198086_100000076697 [0,0,0,1,0,0|3,0,0]=4 4587 B17R1.1311 NC(=O)COCCSCCCC1CCCCC1 62a_100000076697_100011713725 [0,0,0,1,0,0|3,0,0]=4 4588 B17R1.1311 NC(=O)COCCSCCCC1CCCCC1 62a_100011713725_100000076697 [0,0,0,1,0,0|3,0,0]=4 4589 B17R1.1311 NC(=O)NCCOCCCCC1CCCCC1 7a_100011215267_200000034859 [0,0,0,1,0,0|3,0,0]=4 4590 B17R1.1311 NC(=O)OCCOCCCCC1CCCCC1 34a_100011215267_200011214921 [0,0,0,1,0,0|3,0,0]=4 4591 B17R1.1311 NC(=O)OCCOCCCCC1CCCCC1 7a_100011215267_200011214921 [0,0,0,1,0,0|3,0,0]=4 4592 B17R1.1311 O=C(O)COCCNCCCC1CCCCC1 269956a_100000700818_100011713725 [0,0,0,1,0,0|2,0,0]=3 4593 B17R1.1311 O=C(O)COCCNCCCN1CCCCC1 269956a_100000700818_100000007876 [0,0,0,1,0,0|3,0,0]=4 4594 B17R1.1311 O=C(O)COCCNCCOC1CCCCC1 269956a_100000700818_100011211530 [0,0,0,1,0,0|3,0,0]=4 4595 B17R1.1311 O=C(O)COCCOCCNC1CCCCC1 269956a_100009854275_100000210327 [0,0,0,1,0,0|3,0,0]=4 4596 B17R1.1311 O=C([O-])CCCCCOCCC1CCCCC1 7a_100102619762_100011273959 [0,0,0,1,0,0|1,0,1]=3 4597 B17R1.1311 O=C([O-])CCCCCOCCC1CCOCC1 7a_100102619762_100011934994 [0,0,0,1,0,0|2,0,1]=4 4598 B17R1.1311 O=C([O-])CCCCCOCCN1CCCCC1 7a_100102619762_100000739454 [0,0,0,1,0,0|2,0,1]=4 4599 B17R1.1311 O=C([O-])CCCCCOCOC1CCCCC1 7a_100102619762_100011935260 [0,0,0,1,0,0|2,0,1]=4 4600 B17R1.1311 O=[N+]([O-])CCCCOCCCC1CCCCC1 34a_200015379883_100011713725 [0,0,0,1,0,0|2,0,1]=4 4601 B17R1.1311 O=[N+]([O-])CCCCOCCCC1CCCCC1 7a_200015379883_100011713725 [0,0,0,1,0,0|2,0,1]=4 4602 B17R1.1311 OB(O)CCCCCCNCC1CCCCC1 2230a_100000210473_100009817187 [0,0,0,1,0,0|2,0,1]=4 4603 B17R1.1311 OB(O)CCCCCCNCC1CCCCC1 34a_100000210473_100009817187 [0,0,0,1,0,0|2,0,1]=4 4604 B17R1.1311 OB(O)CCCCCCOCC1CCCCC1 34a_100000212181_100009817187 [0,0,0,1,0,0|2,0,1]=4 4605 B17R1.1311 OB(O)CCCCCCOCC1CCCCC1 7a_100000212181_100009817187 [0,0,0,1,0,0|2,0,1]=4 4606 B17R1.1311 OB(O)CCCCCCSCC1CCCCC1 62a_100000211423_100009817187 [0,0,0,1,0,0|2,0,1]=4 4607 B17R1.1311 OB(O)CCCCCCSCC1CCCCC1 62a_100009817187_100000211423 [0,0,0,1,0,0|2,0,1]=4 4608 B17R1.1311 OB(O)CCCCCNCCC1CCCCC1 2230a_100000738074_200009817188 [0,0,0,1,0,0|2,0,1]=4 4609 B17R1.1311 OB(O)CCCCCNCCC1CCCCC1 34a_100000738074_200009817188 [0,0,0,1,0,0|2,0,1]=4 4610 B17R1.1311 OB(O)CCCCCOCCC1CCCCC1 34a_100011217863_200009817188 [0,0,0,1,0,0|2,0,1]=4 4611 B17R1.1311 OB(O)CCCCCOCCC1CCCCC1 7a_100011217863_200009817188 [0,0,0,1,0,0|2,0,1]=4 4612 B17R1.1311 OB(O)CCCCCSCCC1CCCCC1 62a_100012355289_200009817188 [0,0,0,1,0,0|2,0,1]=4 4613 B17R1.1311 OB(O)CCCCCSCCC1CCCCC1 62a_200009817188_100012355289 [0,0,0,1,0,0|2,0,1]=4 4614 B17R1.1311 OB(O)CCCCNCCCC1CCCCC1 2230a_100011211642_200009817182 [0,0,0,1,0,0|2,0,1]=4 4615 B17R1.1311 OB(O)CCCCNCCCC1CCCCC1 34a_100011211642_200009817182 [0,0,0,1,0,0|2,0,1]=4 4616 B17R1.1311 OB(O)CCCCOCCCC1CCCCC1 34a_100000198086_200009817182 [0,0,0,1,0,0|2,0,1]=4 4617 B17R1.1311 OB(O)CCCCOCCCC1CCCCC1 7a_100000198086_200009817182 [0,0,0,1,0,0|2,0,1]=4 4618 B17R1.1311 OB(O)CCCCSCCCC1CCCCC1 62a_100011713725_200009817182 [0,0,0,1,0,0|2,0,1]=4 4619 B17R1.1311 OB(O)CCCCSCCCC1CCCCC1 62a_200009817182_100011713725 [0,0,0,1,0,0|2,0,1]=4 4620 B17R1.1411 CCC1CCCC1NCCCCCNC(=O)C 269862a_200012022750_100000749056 [0,0,0,1,0,0|3,0,0]=4 4621 B17R1.1411 CCC1CCCC1NCCCCCNC(=O)C 270004a_200012022750_100000749056 [0,0,0,1,0,0|3,0,0]=4 4622 B17R1.1411 CCN1CCCC1CNCCCCCC(=O)N 2230a_100000211693_100009817443 [0,0,0,1,0,0|3,0,0]=4 4623 B17R1.1411 CCN1CCC[C@@H]1COCCCCCC(=O)N 34a_100011739246_100009817443 [0,0,0,1,0,0|3,0,0]=4 4624 B17R1.1411 CCN1CCC[C@@H]1COCCCCCC(=O)N 7a_100011739246_100009817443 [0,0,0,1,0,0|3,0,0]=4 4625 B17R1.1419 CCC1CCCCC1NCCCCNC(=O)C 269862a_200011368371_100000757040 [0,0,0,1,0,0|3,0,0]=4 4626 B17R1.1419 CCC1CCCCC1NCCCCNC(=O)C 270004a_200011368371_100000757040 [0,0,0,1,0,0|3,0,0]=4 4627 B17R1.1419 CCC1CCCCC1OCCCCCB(O)O 34a_100000210738_200009817188 [0,0,0,1,0,0|2,0,1]=4 4628 B17R1.1419 CCC1CCCCC1OCCCCCB(O)O 7a_100000210738_200009817188 [0,0,0,1,0,0|2,0,1]=4 4629 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 34a_100000210738_100009817443 [0,0,0,1,0,0|2,0,0]=3 4630 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 7a_100000210738_100009817443 [0,0,0,1,0,0|2,0,0]=3 4631 B17R1.1419 CCC1CCCCC1OCCCCOC(=O)C 34a_100000210738_100000033659 [0,0,0,1,0,0|3,0,0]=4 4632 B17R1.1419 CCC1CCCCC1OCCCCOC(=O)C 7a_100000210738_100000033659 [0,0,0,1,0,0|3,0,0]=4 4633 B17R1.1419 CCC1CCCCC1OCCCCSC(=O)C 34a_100000210738_200010402107 [0,0,0,1,0,0|3,0,0]=4 4634 B17R1.1419 CCC1CCCCC1OCCCCSC(=O)C 7a_100000210738_200010402107 [0,0,0,1,0,0|3,0,0]=4 4635 B17R1.1419 CCC1CCCCN1CCCCCCB(O)O 2230a_100000210034_100009817187 [0,0,0,1,0,0|2,0,1]=4 4636 B17R1.1419 CCC1CCCCN1CCCCCCB(O)O 269982a_100000210034_100009817187 [0,0,0,1,0,0|2,0,1]=4 4637 B17R1.1419 CCC1CCCCN1CCCCCCB(O)O 34a_100000210034_100009817187 [0,0,0,1,0,0|2,0,1]=4 4638 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 2230a_100000210034_100009813381 [0,0,0,1,0,0|3,0,0]=4 4639 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 269982a_100000210034_100000033007 [0,0,0,1,0,0|3,0,0]=4 4640 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 34a_100000210034_100000033007 [0,0,0,1,0,0|3,0,0]=4 4641 B17R1.1419 CCC1CCCCN1CCCNCCC(=O)N 34a_100011191702_100000731001 [0,0,0,1,0,0|3,0,0]=4 4642 B17R1.1419 CCC1CCCCN1CCNCCCC(=O)C 34a_100000755458_100000685027 [0,0,0,1,0,0|3,0,0]=4 4643 B17R1.1419 CCC1CCCCN1CCNCCCC(=O)N 34a_100000755458_100102525003 [0,0,0,1,0,0|3,0,0]=4 4644 B17R1.1419 CCN1CCCCC1CNCCCCC(=O)C 34a_100000754393_100009817362 [0,0,0,1,0,0|3,0,0]=4 4645 B17R1.1419 CCN1CCCCC1COCCCCC(=O)C 34a_100000225091_100009817362 [0,0,0,1,0,0|3,0,0]=4 4646 B17R1.1419 CCN1CCCCC1COCCCCC(=O)C 7a_100000225091_100000735457 [0,0,0,1,0,0|3,0,0]=4 4647 B17R1.1419 CN[C@@H]1CCCC[C@H]1OCCCCCC(=O)N 34a_100000708425_100009817443 [0,0,0,1,0,0|3,0,0]=4 4648 B17R1.1419 COC1CCCCC1NCCCCCC(=O)N 34a_100011208099_100009817443 [0,0,0,1,0,0|3,0,0]=4 4649 B17R1.1419 CO[C@H]1CCCC[C@@H]1OCCCCCC(=O)N 34a_200009815850_100009817443 [0,0,0,1,0,0|3,0,0]=4 4650 B17R1.1419 CO[C@H]1CCCC[C@@H]1OCCCCCC(=O)N 7a_200009815850_100009817443 [0,0,0,1,0,0|3,0,0]=4 4651 B17R1.1419 NCC1CCCCC1OCCCCCC(=O)N 34a_100011216029_100009817443 [0,0,0,1,0,0|3,0,0]=4 4652 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210326 [0,0,0,1,0,0|3,0,0]=4 4653 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210215 [0,0,0,1,0,0|3,0,0]=4 4654 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000718602 [0,0,0,1,0,0|3,0,0]=4 4655 B17R1.1488 COCCCC1CCCCN1CCCC(=O)C 269982a_100011804088_100011215641 [0,0,0,1,0,0|3,0,0]=4 4656 B17R1.1488 COCCCC1CCCCN1CCCC(=O)C 34a_100011804088_100000685027 [0,0,0,1,0,0|3,0,0]=4 4657 B17R1.1488 COCCCC1CCCCN1CCCC(=O)N 269982a_100011804088_100102525003 [0,0,0,1,0,0|3,0,0]=4 4658 B17R1.1488 COCCCC1CCCCN1CCCC(=O)N 34a_100011804088_100102525003 [0,0,0,1,0,0|3,0,0]=4 4659 B17R1.1503 CCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_200000198059 [0,0,0,1,0,0|2,0,0]=3 4660 B17R1.1503 CCCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_200000198059 [0,0,0,1,0,0|3,0,0]=4 4661 B17R1.1503 CCCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_200000198059 [0,0,0,1,0,0|3,0,0]=4 4662 B17R1.1503 CCCCCC1CCCC1NCCNC(=O)N 269862a_100020590234_200000198059 [0,0,0,1,0,0|3,0,0]=4 4663 B17R1.1503 CCCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_200000198059 [0,0,0,1,0,0|3,0,0]=4 4664 B17R1.4140 C=C1CC(C1)CNCCCCCCCCCC 2230a_100102567296_100000210320 [0,0,0,1,0,0|3,0,0]=4 4665 B17R1.4140 C=C1CC(C1)CNCCCCCCCCCC 34a_100102567296_100000210320 [0,0,0,1,0,0|3,0,0]=4 4666 B17R1.4140 C=C1CC(C1)COCCCCCCCCCC 34a_100011011225_100000210320 [0,0,0,1,0,0|3,0,0]=4 4667 B17R1.4140 C=C1CC(C1)NCCCCCCCCCCC 2230a_100132301982_100011215454 [0,0,0,1,0,0|3,0,0]=4 4668 B17R1.4140 CCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000759014 [0,0,0,1,0,0|2,0,1]=4 4669 B17R1.4140 CCCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215454 [0,0,0,1,0,0|2,0,1]=4 4670 B17R1.4140 CCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100011215454 [0,0,0,1,0,0|2,0,0]=3 4671 B17R1.4140 CCCCCCCCCCNCC1CC(=O)C1 2230a_100000684558_100009874392 [0,0,0,1,0,0|2,0,0]=3 4672 B17R1.4140 CCCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100000210320 [0,0,0,1,0,0|2,0,1]=4 4673 B17R1.4140 CCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210320 [0,0,0,1,0,0|2,0,0]=3 4674 B17R1.4140 CCCCCCCCCCOCC1CC(=O)C1 7a_100000210711_100009874392 [0,0,0,1,0,0|2,0,0]=3 4675 B17R1.4140 CCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210320 [0,0,0,1,0,0|2,0,0]=3 4676 B17R1.4140 O=C1CC(C1)CNCCCCCCCCCO 2230a_100000078944_100009874392 [0,0,0,1,0,0|3,0,0]=4 4677 B17R1.4140 O=C1CC(C1)COCCCCCCCCCBr 7a_100009813782_100009874392 [0,0,0,1,0,0|3,0,0]=4 4678 B17R1.4140 O=C1CC(C1)COCCCCCCCCCCl 7a_100009868337_100009874392 [0,0,0,1,0,0|3,0,0]=4 4679 B17R1.4140 O=C1CC(C1)COCCCCCCCCCO 34a_100000101936_100009813782 [0,0,0,1,0,0|3,0,0]=4 4680 B17R1.4140 O=C1CC(C1)CSCCCCCCCCCO 62a_100009813782_100009874392 [0,0,0,1,0,0|3,0,0]=4 4681 B17R1.4140 O=C1CC(C1)CSCCCCCCCCCO 62a_100009874392_100009813782 [0,0,0,1,0,0|3,0,0]=4 4682 B17R1.4140 O=C1CC(C1)SCCCCCCCCCCO 62a_100009894365_200000033068 [0,0,0,1,0,0|3,0,0]=4 4683 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210681 [0,0,0,1,0,0|2,0,0]=3 4684 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210681 [0,0,0,1,0,0|2,0,0]=3 4685 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210614 [0,0,0,1,0,0|2,0,0]=3 4686 B17R1.4154 CCCCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100000743108 [0,0,0,1,0,0|3,0,0]=4 4687 B17R1.4154 CCCCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100000743108 [0,0,0,1,0,0|3,0,0]=4 4688 B17R1.4154 CCCCOCCN1CCCCC1CC(=O)N 34a_100015184752_100000743108 [0,0,0,1,0,0|3,0,0]=4 4689 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCF 2230a_100015184752_100015922095 [0,0,0,1,0,0|3,0,0]=4 4690 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCF 269982a_100015184752_100015922095 [0,0,0,1,0,0|3,0,0]=4 4691 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCF 34a_100015184752_100015922095 [0,0,0,1,0,0|3,0,0]=4 4692 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCO 2230a_100015184752_100000766143 [0,0,0,1,0,0|3,0,0]=4 4693 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCO 269982a_100015184752_100000766143 [0,0,0,1,0,0|3,0,0]=4 4694 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCO 34a_100015184752_100000766143 [0,0,0,1,0,0|3,0,0]=4 4695 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 269862a_100000210904_200011216720 [0,0,0,1,0,0|2,0,1]=4 4696 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 270004a_100000210904_200011216720 [0,0,0,1,0,0|2,0,1]=4 4697 B17R1.5251 C#CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100153394163 [0,0,0,1,0,0|1,0,2]=4 4698 B17R1.5251 C=CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012355270 [0,0,0,1,0,0|1,0,2]=4 4699 B17R1.5251 CCCCC#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000047210 [0,0,0,1,0,0|1,0,2]=4 4700 B17R1.5251 CCCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210670 [0,0,0,1,0,0|1,0,2]=4 4701 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011214924 [0,0,0,1,0,0|2,0,0]=3 4702 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [0,0,0,1,0,0|1,0,0]=2 4703 B17R1.5251 CCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210670 [0,0,0,1,0,0|2,0,0]=3 4704 B17R1.5251 CCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210670 [0,0,0,1,0,0|2,0,0]=3 4705 B17R1.5251 CCCCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210614 [0,0,0,1,0,0|3,0,0]=4 4706 B17R1.5251 CCCCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210614 [0,0,0,1,0,0|3,0,0]=4 4707 B17R1.5251 CCCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210614 [0,0,0,1,0,0|3,0,0]=4 4708 B17R1.5251 CCCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210614 [0,0,0,1,0,0|3,0,0]=4 4709 B17R1.5251 NC(=O)[C@@H]1CCCN1CCCCCCCCO 2230a_100000003125_100000033203 [0,0,0,1,0,0|3,0,0]=4 4710 B17R1.5251 O=C(O)C1SCCN1CCCCCCCCO 269956a_100000035718_100000033203 [0,0,0,1,0,0|3,0,0]=4 4711 B17R1.5251 O=C(O)[C@@H]1CCCN1CCCCCCCCO 269956a_100000743916_100000033203 [0,0,0,1,0,0|2,0,0]=3 4712 B17R1.5251 O=C(O)[C@@H]1CSCN1CCCCCCCCO 269956a_100000743924_100000033203 [0,0,0,1,0,0|3,0,0]=4 4713 B17R1.5777 C#CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012094781 [0,0,0,1,0,0|1,0,2]=4 4714 B17R1.5777 C=CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000700193 [0,0,0,1,0,0|1,0,2]=4 4715 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [0,0,0,1,0,0|1,0,0]=2 4716 B17R1.5777 CCCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000743108 [0,0,0,1,0,0|2,0,0]=3 4717 B17R1.5777 COCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000695917 [0,0,0,1,0,0|3,0,0]=4 4718 B17R1.5777 N#CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100009813376 [0,0,0,1,0,0|2,0,1]=4 4719 B17R1.5777 O=C(O)C1CCCCCN1CCCCCCF 269956a_100000758484_100015922095 [0,0,0,1,0,0|2,0,0]=3 4720 B17R1.5777 O=C(O)C1CCCCCN1CCCCCCO 269956a_100000758484_100000766143 [0,0,0,1,0,0|2,0,0]=3 4721 B17R1.5777 O=CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000139337 [0,0,0,1,0,0|2,0,1]=4 4722 B17R1.7901 C#CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012276617 [0,0,0,1,0,0|1,0,2]=4 4723 B17R1.7901 C#CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012094781 [0,0,0,1,0,0|1,0,2]=4 4724 B17R1.7901 C=CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215473 [0,0,0,1,0,0|1,0,2]=4 4725 B17R1.7901 C=CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000700193 [0,0,0,1,0,0|1,0,2]=4 4726 B17R1.7901 CCCCCC#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009816472 [0,0,0,1,0,0|1,0,2]=4 4727 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210759 [0,0,0,1,0,0|2,0,0]=3 4728 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210759 [0,0,0,1,0,0|2,0,0]=3 4729 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210759 [0,0,0,1,0,0|2,0,0]=3 4730 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [0,0,0,1,0,0|1,0,0]=2 4731 B17R1.7901 CCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210759 [0,0,0,1,0,0|2,0,0]=3 4732 B17R1.7901 CCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210759 [0,0,0,1,0,0|2,0,0]=3 4733 B17R1.7901 CCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210759 [0,0,0,1,0,0|2,0,0]=3 4734 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [0,0,0,1,0,0|1,0,0]=2 4735 B17R1.7901 CCCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000743108 [0,0,0,1,0,0|2,0,0]=3 4736 B17R1.7901 CCOCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011211534 [0,0,0,1,0,0|3,0,0]=4 4737 B17R1.7901 COCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100011998445 [0,0,0,1,0,0|3,0,0]=4 4738 B17R1.7901 COCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100011998445 [0,0,0,1,0,0|3,0,0]=4 4739 B17R1.7901 COCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100011998445 [0,0,0,1,0,0|3,0,0]=4 4740 B17R1.7901 COCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011998445 [0,0,0,1,0,0|2,0,0]=3 4741 B17R1.7901 COCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011998445 [0,0,0,1,0,0|3,0,0]=4 4742 B17R1.7901 COCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100011998445 [0,0,0,1,0,0|3,0,0]=4 4743 B17R1.7901 COCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100011998445 [0,0,0,1,0,0|3,0,0]=4 4744 B17R1.7901 COCCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216529 [0,0,0,1,0,0|3,0,0]=4 4745 B17R1.7901 COCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000695917 [0,0,0,1,0,0|3,0,0]=4 4746 B17R1.7901 N#CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813337 [0,0,0,1,0,0|2,0,1]=4 4747 B17R1.7901 N#CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009813376 [0,0,0,1,0,0|2,0,1]=4 4748 B17R1.7901 NC(=O)C1CCCCN1CCCCCCCO 2230a_100000181395_100000760002 [0,0,0,1,0,0|3,0,0]=4 4749 B17R1.7901 NC(=O)C1CCCCN1CCCCCCCO 269982a_100000181395_100000760002 [0,0,0,1,0,0|3,0,0]=4 4750 B17R1.7901 NC(=O)C1CCCCN1CCCCCCCO 34a_100000181395_100000760002 [0,0,0,1,0,0|3,0,0]=4 4751 B17R1.7901 O=C(O)C1CCSCN1CCCCCCCO 269956a_100015185162_100000760002 [0,0,0,1,0,0|3,0,0]=4 4752 B17R1.7901 O=C(O)C1CSCCN1CCCCCCCO 269956a_100011346106_100000760002 [0,0,0,1,0,0|3,0,0]=4 4753 B17R1.7901 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCF 269956a_100009816435_100015922095 [0,0,0,1,0,0|2,0,0]=3 4754 B17R1.7901 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCO 269956a_100009816435_100000766143 [0,0,0,1,0,0|2,0,0]=3 4755 B17R1.7901 O=C(O)[C@H]1CCCCN1CCCCCCCO 269956a_100000763471_100000760002 [0,0,0,1,0,0|2,0,0]=3 4756 B17R1.7901 O=C(O)[C@H]1COCCN1CCCCCCCO 269956a_100016993156_100000760002 [0,0,0,1,0,0|3,0,0]=4 4757 B17R1.7901 O=CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000139337 [0,0,0,1,0,0|2,0,1]=4 4758 B17R1.9279 CC(=O)CCCCCCCCCC1OCCO1 1458a_100000070787_103619048131 [0,0,0,1,0,0|3,0,0]=4 4759 B17R1.9279 CC(=O)CCCCNCCCOC1CCCC1 34a_100000747560_100009817362 [0,0,0,1,0,0|3,0,0]=4 4760 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 2230a_200011996284_100000740388 [0,0,0,1,0,0|3,0,0]=4 4761 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 269862a_200011996284_100000746403 [0,0,0,1,0,0|3,0,0]=4 4762 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 34a_200011996284_100000740388 [0,0,0,1,0,0|3,0,0]=4 4763 B17R1.9279 CC(=O)NCCCCCNCCC1CCCC1 2230a_200012022750_100000760354 [0,0,0,1,0,0|3,0,0]=4 4764 B17R1.9279 CC(=O)NCCCCCNCCC1CCCC1 34a_200012022750_100000760354 [0,0,0,1,0,0|3,0,0]=4 4765 B17R1.9279 CC(=O)NCCCCNCCCC1CCCC1 2230a_200011368371_100011713738 [0,0,0,1,0,0|3,0,0]=4 4766 B17R1.9279 CC(=O)NCCCCNCCCC1CCCC1 34a_200011368371_100011713738 [0,0,0,1,0,0|3,0,0]=4 4767 B17R1.9279 CC(=O)OCCCCCNCCC1CCCC1 2230a_100000739158_100009813381 [0,0,0,1,0,0|3,0,0]=4 4768 B17R1.9279 CC(=O)OCCCCCNCCC1CCCC1 34a_100000739158_100000033007 [0,0,0,1,0,0|3,0,0]=4 4769 B17R1.9279 CC(=O)OCCCCCOCCC1CCCC1 34a_100000749090_100000033007 [0,0,0,1,0,0|3,0,0]=4 4770 B17R1.9279 CC(=O)OCCCCCOCCC1CCCC1 7a_100000749090_100000033007 [0,0,0,1,0,0|3,0,0]=4 4771 B17R1.9279 CC(=O)OCCCCCSCCC1CCCC1 62a_100000033007_100000760354 [0,0,0,1,0,0|3,0,0]=4 4772 B17R1.9279 CC(=O)OCCCCCSCCC1CCCC1 62a_100000760354_100000033007 [0,0,0,1,0,0|3,0,0]=4 4773 B17R1.9279 CC(=O)OCCCCNCCCC1CCCC1 34a_100000736752_100000033659 [0,0,0,1,0,0|3,0,0]=4 4774 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 34a_100000073216_100011713738 [0,0,0,1,0,0|3,0,0]=4 4775 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 34a_100011215328_100000033659 [0,0,0,1,0,0|3,0,0]=4 4776 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 7a_100000073216_100011713738 [0,0,0,1,0,0|3,0,0]=4 4777 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 7a_100011215328_100000033659 [0,0,0,1,0,0|3,0,0]=4 4778 B17R1.9279 CC(=O)OCCCCSCCCC1CCCC1 62a_100000033659_100011713738 [0,0,0,1,0,0|3,0,0]=4 4779 B17R1.9279 CC(=O)OCCCCSCCCC1CCCC1 62a_100011713738_100000033659 [0,0,0,1,0,0|3,0,0]=4 4780 B17R1.9279 CC(=O)SCCCCCCNCC1CCCC1 269862a_100000704104_100000746403 [0,0,0,1,0,0|3,0,0]=4 4781 B17R1.9279 CC(=O)SCCCCNCCCC1CCCC1 2230a_100000736752_200010402107 [0,0,0,1,0,0|3,0,0]=4 4782 B17R1.9279 CC(=O)SCCCCNCCCC1CCCC1 34a_100000736752_200010402107 [0,0,0,1,0,0|3,0,0]=4 4783 B17R1.9279 CC(=O)SCCCCOCCCC1CCCC1 34a_100011215328_200010402107 [0,0,0,1,0,0|3,0,0]=4 4784 B17R1.9279 CC(=O)SCCCCOCCCC1CCCC1 7a_100011215328_200010402107 [0,0,0,1,0,0|3,0,0]=4 4785 B17R1.9279 CC(=O)SCCCCSCCCC1CCCC1 62a_100011713738_200010402107 [0,0,0,1,0,0|3,0,0]=4 4786 B17R1.9279 CC(=O)SCCCCSCCCC1CCCC1 62a_200010402107_100011713738 [0,0,0,1,0,0|3,0,0]=4 4787 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 2230a_100000736752_100009817443 [0,0,0,1,0,0|2,0,0]=3 4788 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 34a_100000736752_100009817443 [0,0,0,1,0,0|2,0,0]=3 4789 B17R1.9279 NC(=O)CCCCCNCCOC1CCCC1 34a_100000741755_100009817443 [0,0,0,1,0,0|3,0,0]=4 4790 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100000123541_100011713738 [0,0,0,1,0,0|2,0,0]=3 4791 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100011215328_100009817443 [0,0,0,1,0,0|2,0,0]=3 4792 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100000123541_100011713738 [0,0,0,1,0,0|2,0,0]=3 4793 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100011215328_100009817443 [0,0,0,1,0,0|2,0,0]=3 4794 B17R1.9279 NC(=O)CCCCCOCCCN1CCCC1 34a_100000123541_100016991639 [0,0,0,1,0,0|3,0,0]=4 4795 B17R1.9279 NC(=O)CCCCCOCCCN1CCCC1 7a_100000123541_100011445909 [0,0,0,1,0,0|3,0,0]=4 4796 B17R1.9279 NC(=O)CCCCCOCCNC1CCCC1 34a_200000200444_100009817443 [0,0,0,1,0,0|3,0,0]=4 4797 B17R1.9279 NC(=O)CCCCCOCCOC1CCCC1 34a_100000738311_100009817443 [0,0,0,1,0,0|3,0,0]=4 4798 B17R1.9279 NC(=O)CCCCCOCCOC1CCCC1 7a_100000738311_100009817443 [0,0,0,1,0,0|3,0,0]=4 4799 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100009817443_100011713738 [0,0,0,1,0,0|2,0,0]=3 4800 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100011713738_100009817443 [0,0,0,1,0,0|2,0,0]=3 4801 B17R1.9279 NC(=O)CCCCCSCCCN1CCCC1 62a_100009817443_100011445909 [0,0,0,1,0,0|3,0,0]=4 4802 B17R1.9279 NC(=O)CCCCCSCCCN1CCCC1 62a_100016991639_100009817443 [0,0,0,1,0,0|3,0,0]=4 4803 B17R1.9279 O=C(O)COCCOCCNCC1CCCC1 269956a_100009854275_100000740388 [0,0,0,1,0,0|3,0,0]=4 4804 B17R1.9279 O=C([O-])CCCCCOCCCC1CCCC1 7a_100102619762_100011713738 [0,0,0,1,0,0|1,0,1]=3 4805 B17R1.9279 O=C([O-])CCCCCOCCCN1CCCC1 7a_100102619762_100011445909 [0,0,0,1,0,0|2,0,1]=4 4806 B17R1.9279 OB(O)CCCCCCNCCC1CCCC1 2230a_100000739158_100009817187 [0,0,0,1,0,0|2,0,1]=4 4807 B17R1.9279 OB(O)CCCCCCNCCC1CCCC1 34a_100000739158_100009817187 [0,0,0,1,0,0|2,0,1]=4 4808 B17R1.9279 OB(O)CCCCCCOCCC1CCCC1 34a_100000749090_100009817187 [0,0,0,1,0,0|2,0,1]=4 4809 B17R1.9279 OB(O)CCCCCCOCCC1CCCC1 7a_100000749090_100009817187 [0,0,0,1,0,0|2,0,1]=4 4810 B17R1.9279 OB(O)CCCCCCSCCC1CCCC1 62a_100000760354_100009817187 [0,0,0,1,0,0|2,0,1]=4 4811 B17R1.9279 OB(O)CCCCCCSCCC1CCCC1 62a_100009817187_100000760354 [0,0,0,1,0,0|2,0,1]=4 4812 B17R1.9279 OB(O)CCCCCNCCCC1CCCC1 2230a_100000736752_200009817188 [0,0,0,1,0,0|2,0,1]=4 4813 B17R1.9279 OB(O)CCCCCNCCCC1CCCC1 34a_100000736752_200009817188 [0,0,0,1,0,0|2,0,1]=4 4814 B17R1.9279 OB(O)CCCCCOCCCC1CCCC1 34a_100011215328_200009817188 [0,0,0,1,0,0|2,0,1]=4 4815 B17R1.9279 OB(O)CCCCCOCCCC1CCCC1 7a_100011215328_200009817188 [0,0,0,1,0,0|2,0,1]=4 4816 B17R1.9279 OB(O)CCCCCSCCCC1CCCC1 62a_100011713738_200009817188 [0,0,0,1,0,0|2,0,1]=4 4817 B17R1.9279 OB(O)CCCCCSCCCC1CCCC1 62a_200009817188_100011713738 [0,0,0,1,0,0|2,0,1]=4 4818 B17R1.11234 CC(=O)NCCCCCCNC1CCCC1C 269862a_200011996284_100000752053 [0,0,0,1,0,0|3,0,0]=4 4819 B17R1.11234 CC(=O)SCCCCCCNC1CCCC1C 269862a_100000704104_100000752053 [0,0,0,1,0,0|3,0,0]=4 4820 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 34a_100000123541_100000005710 [0,0,0,1,0,0|3,0,0]=4 4821 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 34a_100011215177_100009817443 [0,0,0,1,0,0|3,0,0]=4 4822 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 7a_100000123541_100000005710 [0,0,0,1,0,0|3,0,0]=4 4823 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 7a_100011215177_100009817443 [0,0,0,1,0,0|3,0,0]=4 4824 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)[O-] 7a_100102619762_100000005710 [0,0,0,1,0,0|2,0,1]=4 4825 B17R1.11234 CN1CCCC1CCSCCCCCC(=O)N 62a_100000005710_100009817443 [0,0,0,1,0,0|3,0,0]=4 4826 B17R1.11234 CN1CCCC1CCSCCCCCC(=O)N 62a_100009817443_100000005710 [0,0,0,1,0,0|3,0,0]=4 4827 B17R1.16233 C=C(C)CNC1CCCCCCCCCCC1 2230a_100011194316_100000748629 [0,0,0,1,0,0|3,0,0]=4 4828 B17R1.16233 C=C(C)CNC1CCCCCCCCCCC1 34a_100011194316_100000748629 [0,0,0,1,0,0|3,0,0]=4 4829 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 34a_100000211378_100000748629 [0,0,0,1,0,0|3,0,0]=4 4830 B17R1.16233 C=C(C)COC1CCCCCCCCCCC1 7a_100000211378_100000748629 [0,0,0,1,0,0|3,0,0]=4 4831 B17R1.16233 C=C(F)CNC1CCCCCCCCCCC1 2230a_100011194316_100009893438 [0,0,0,1,0,0|3,0,0]=4 4832 B17R1.16233 C=C(F)CNC1CCCCCCCCCCC1 34a_100011194316_100009893438 [0,0,0,1,0,0|3,0,0]=4 4833 B17R1.16233 C=C(F)COC1CCCCCCCCCCC1 34a_100000211378_100009893438 [0,0,0,1,0,0|3,0,0]=4 4834 B17R1.16233 C=C(F)COC1CCCCCCCCCCC1 7a_100000211378_100000042424 [0,0,0,1,0,0|3,0,0]=4 4835 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 2230a_100011194316_100011218427 [0,0,0,1,0,0|2,0,1]=4 4836 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 270004a_100000210904_100000210130 [0,0,0,1,0,0|2,0,1]=4 4837 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 34a_100011194316_100011218427 [0,0,0,1,0,0|2,0,1]=4 4838 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 34a_100000211378_100011218427 [0,0,0,1,0,0|2,0,1]=4 4839 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 7a_100000211378_100011218427 [0,0,0,1,0,0|2,0,1]=4 4840 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 2230a_100011194316_100009817552 [0,0,0,1,0,0|2,0,1]=4 4841 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 34a_100011194316_100009817552 [0,0,0,1,0,0|2,0,1]=4 4842 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 34a_100000211378_100009817552 [0,0,0,1,0,0|2,0,1]=4 4843 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 7a_100000211378_100009817552 [0,0,0,1,0,0|2,0,1]=4 4844 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000747473 [0,0,0,1,0,0|2,0,0]=3 4845 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000187820 [0,0,0,1,0,0|2,0,0]=3 4846 B17R1.16233 NC(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000187820 [0,0,0,1,0,0|2,0,0]=3 4847 B17R1.16233 NC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000187820 [0,0,0,1,0,0|2,0,0]=3 4848 B17R1.16233 O=C([O-])CNC1CCCCCCCCCCC1 34a_100011194316_100020667443 [0,0,0,1,0,0|1,0,1]=3 4849 B17R1.16233 O=C([O-])COC1CCCCCCCCCCC1 34a_100000211378_100020667443 [0,0,0,1,0,0|1,0,1]=3 4850 B17R1.16233 O=[N+]([O-])CNC1CCCCCCCCCCC1 34a_100011194316_100000761209 [0,0,0,1,0,0|2,0,1]=4 4851 B17R1.16233 O=[N+]([O-])COC1CCCCCCCCCCC1 34a_100000211378_100000761209 [0,0,0,1,0,0|2,0,1]=4 4852 B17R1.16345 CC(=O)NCCCNC1CCCCCCCC1 270004a_100000736810_100000038600 [0,0,0,1,0,0|3,0,0]=4 4853 B17R1.16345 CC(=O)OCCCCN1CCCCCCCC1 269982a_100000039187_100000033659 [0,0,0,1,0,0|3,0,0]=4 4854 B17R1.16345 CC(=O)OCCCCN1CCCCCCCC1 34a_100000039187_100000033659 [0,0,0,1,0,0|3,0,0]=4 4855 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 2230a_100000039187_200010402107 [0,0,0,1,0,0|3,0,0]=4 4856 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 269982a_100000039187_200010402107 [0,0,0,1,0,0|3,0,0]=4 4857 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 34a_100000039187_200010402107 [0,0,0,1,0,0|3,0,0]=4 4858 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 2230a_100000039187_100009817443 [0,0,0,1,0,0|2,0,0]=3 4859 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 269982a_100000039187_100009817443 [0,0,0,1,0,0|2,0,0]=3 4860 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 34a_100000039187_100009817443 [0,0,0,1,0,0|2,0,0]=3 4861 B17R1.16345 NC(=O)CCCCNC1CCCCCCCC1 270004a_100000696515_100000038600 [0,0,0,1,0,0|2,0,0]=3 4862 B17R1.16345 OB(O)CCCCCN1CCCCCCCC1 2230a_100000039187_200009817188 [0,0,0,1,0,0|2,0,1]=4 4863 B17R1.16345 OB(O)CCCCCN1CCCCCCCC1 269982a_100000039187_200009817188 [0,0,0,1,0,0|2,0,1]=4 4864 B17R1.16345 OB(O)CCCCCN1CCCCCCCC1 34a_100000039187_200009817188 [0,0,0,1,0,0|2,0,1]=4 4865 B17R1.16396 NC(=O)CCCCCCCCCCN1CCC1 269982a_100000754969_200010167045 [0,0,0,1,0,0|2,0,0]=3 4866 B17R1.16477 NC(=O)CCCCCCCCCCNC1CC1 34a_100000212008_200010167045 [0,0,0,1,0,0|2,0,0]=3 4867 B17R1.16477 NC(=O)CCCCCCCCCCSC1CC1 62a_200010167045_100000211595 [0,0,0,1,0,0|2,0,0]=3 4868 B17R1.16927 CCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011214924 [0,0,0,1,0,0|2,0,1]=4 4869 B17R1.16927 CCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011214924 [0,0,0,1,0,0|2,0,1]=4 4870 B17R1.17889 C#CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215417 [0,0,0,1,0,0|1,0,2]=4 4871 B17R1.17889 C=CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011713584 [0,0,0,1,0,0|1,0,2]=4 4872 B17R1.17889 CC/C=C\CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100103147603 [0,0,0,1,0,0|1,0,2]=4 4873 B17R1.17889 CCC#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009813939 [0,0,0,1,0,0|1,0,2]=4 4874 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [0,0,0,1,0,0|1,0,0]=2 4875 B17R1.17889 CCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210147 [0,0,0,1,0,0|2,0,0]=3 4876 B17R1.17889 CCSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000757381 [0,0,0,1,0,0|2,0,0]=3 4877 B17R1.17889 COCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000740836 [0,0,0,1,0,0|2,0,0]=3 4878 B17R1.17889 N#CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000687738 [0,0,0,1,0,0|2,0,1]=4 4879 B17R1.17889 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCF 269956a_200049070474_100000729493 [0,0,0,1,0,0|2,0,0]=3 4880 B17R1.17889 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCO 269956a_200049070474_100000210776 [0,0,0,1,0,0|2,0,0]=3 4881 B17R1.17889 O=CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200011292268 [0,0,0,1,0,0|2,0,1]=4 4882 B17R1.25267 CCCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100011214924 [0,0,0,1,0,0|2,0,1]=4 4883 B17R1.25267 CCCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210670 [0,0,0,1,0,0|2,0,1]=4 4884 B17R1.25267 CCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011214924 [0,0,0,1,0,0|3,0,0]=4 4885 B17R1.26240 CC(=O)CCCCOCC1CCCCCCC1 34a_100011216312_100009817362 [0,0,0,1,0,0|2,0,0]=3 4886 B17R1.26240 CC(=O)CCCCOCC1CCCCCCC1 7a_100011216312_100000735457 [0,0,0,1,0,0|2,0,0]=3 4887 B17R1.26240 CC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100000685027 [0,0,0,1,0,0|2,0,0]=3 4888 B17R1.26240 CC(=O)NCCCCNC1CCCCCCC1 270004a_200011368371_100000210524 [0,0,0,1,0,0|3,0,0]=4 4889 B17R1.26240 CC(=O)NCCNCCC1CCCCCCC1 2230a_100011532352_100000189650 [0,0,0,1,0,0|3,0,0]=4 4890 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 2230a_100000211400_100009813381 [0,0,0,1,0,0|3,0,0]=4 4891 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 269982a_100000211400_100000033007 [0,0,0,1,0,0|3,0,0]=4 4892 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 34a_100000211400_100000033007 [0,0,0,1,0,0|3,0,0]=4 4893 B17R1.26240 CC(=O)OCCCCNC1CCCCCCC1 34a_100000211152_100000033659 [0,0,0,1,0,0|3,0,0]=4 4894 B17R1.26240 CC(=O)OCCCCOC1CCCCCCC1 34a_100000210054_100000033659 [0,0,0,1,0,0|3,0,0]=4 4895 B17R1.26240 CC(=O)OCCCCOC1CCCCCCC1 7a_100000210054_100000033659 [0,0,0,1,0,0|3,0,0]=4 4896 B17R1.26240 CC(=O)OCCCOCC1CCCCCCC1 34a_100011216312_100000042594 [0,0,0,1,0,0|3,0,0]=4 4897 B17R1.26240 CC(=O)OCCCOCC1CCCCCCC1 7a_100011216312_100000042594 [0,0,0,1,0,0|3,0,0]=4 4898 B17R1.26240 CC(=O)OCCNCCC1CCCCCCC1 34a_100011532352_100009814007 [0,0,0,1,0,0|3,0,0]=4 4899 B17R1.26240 CC(=O)SCCCCNC1CCCCCCC1 2230a_100000211152_200010402107 [0,0,0,1,0,0|3,0,0]=4 4900 B17R1.26240 CC(=O)SCCCCNC1CCCCCCC1 34a_100000211152_200010402107 [0,0,0,1,0,0|3,0,0]=4 4901 B17R1.26240 CC(=O)SCCCCOC1CCCCCCC1 34a_100000210054_200010402107 [0,0,0,1,0,0|3,0,0]=4 4902 B17R1.26240 CC(=O)SCCCCOC1CCCCCCC1 7a_100000210054_200010402107 [0,0,0,1,0,0|3,0,0]=4 4903 B17R1.26240 CC(=O)SCCCOCC1CCCCCCC1 34a_100011216312_100000038929 [0,0,0,1,0,0|3,0,0]=4 4904 B17R1.26240 CC(=O)SCCCOCC1CCCCCCC1 7a_100011216312_100000038929 [0,0,0,1,0,0|3,0,0]=4 4905 B17R1.26240 CC(O)CCCNCCC1CCCCCCC1 2230a_100011532352_200000718107 [0,0,0,1,0,0|2,0,1]=4 4906 B17R1.26240 CC(O)CCCNCCC1CCCCCCC1 34a_100011532352_200000718107 [0,0,0,1,0,0|2,0,1]=4 4907 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 2230a_100000211152_100009817443 [0,0,0,1,0,0|2,0,0]=3 4908 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 34a_100000211152_100009817443 [0,0,0,1,0,0|2,0,0]=3 4909 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 34a_100000210054_100009817443 [0,0,0,1,0,0|2,0,0]=3 4910 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 7a_100000210054_100009817443 [0,0,0,1,0,0|2,0,0]=3 4911 B17R1.26240 NC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100102525003 [0,0,0,1,0,0|2,0,0]=3 4912 B17R1.26240 NC(=O)COCCOCC1CCCCCCC1 34a_100011216312_100000076697 [0,0,0,1,0,0|3,0,0]=4 4913 B17R1.26240 NC(=O)COCCOCC1CCCCCCC1 7a_100011216312_100000076697 [0,0,0,1,0,0|3,0,0]=4 4914 B17R1.26240 NC(=O)NCCNCCC1CCCCCCC1 2230a_100011532352_200000034859 [0,0,0,1,0,0|3,0,0]=4 4915 B17R1.26240 NC(=O)OCCNCCC1CCCCCCC1 34a_100011532352_200011214921 [0,0,0,1,0,0|3,0,0]=4 4916 B17R1.26240 OB(O)CCCCCCN1CCCCCCC1 2230a_100000211400_100009817187 [0,0,0,1,0,0|2,0,1]=4 4917 B17R1.26240 OB(O)CCCCCCN1CCCCCCC1 269982a_100000211400_100009817187 [0,0,0,1,0,0|2,0,1]=4 4918 B17R1.26240 OB(O)CCCCCCN1CCCCCCC1 34a_100000211400_100009817187 [0,0,0,1,0,0|2,0,1]=4 4919 B17R1.26240 OB(O)CCCCCNC1CCCCCCC1 2230a_100000211152_200009817188 [0,0,0,1,0,0|2,0,1]=4 4920 B17R1.26240 OB(O)CCCCCNC1CCCCCCC1 34a_100000211152_200009817188 [0,0,0,1,0,0|2,0,1]=4 4921 B17R1.26240 OB(O)CCCCCOC1CCCCCCC1 34a_100000210054_200009817188 [0,0,0,1,0,0|2,0,1]=4 4922 B17R1.26240 OB(O)CCCCCOC1CCCCCCC1 7a_100000210054_200009817188 [0,0,0,1,0,0|2,0,1]=4 4923 B17R1.26240 OB(O)CCCCOCC1CCCCCCC1 34a_100011216312_200009817182 [0,0,0,1,0,0|2,0,1]=4 4924 B17R1.26240 OB(O)CCCCOCC1CCCCCCC1 7a_100011216312_200009817182 [0,0,0,1,0,0|2,0,1]=4 4925 B17R1.29093 CCCCCCCCCCCCNCC1CO1 2230a_100000210451_100011216344 [0,0,0,1,0,0|2,0,1]=4 4926 B17R1.29093 CCCCCCCCCCCCNCC1CO1 34a_100000210451_102125554688 [0,0,0,1,0,0|2,0,1]=4 4927 B17R1.29093 CCCCCCCCCCCCOCC1CO1 34a_100000210810_102125554688 [0,0,0,1,0,0|2,0,1]=4 4928 B17R1.29093 CCCCCCCCCCCCOCC1CO1 7a_100000210810_102125554688 [0,0,0,1,0,0|2,0,1]=4 4929 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000759014 [0,0,0,1,0,0|2,0,1]=4 4930 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 7a_100000210810_100000745022 [0,0,0,1,0,0|2,0,1]=4 4931 B17R1.29093 CCCCCCCCCCCCSCC1CO1 62a_102125554688_100000759014 [0,0,0,1,0,0|2,0,1]=4 4932 B17R1.29093 CCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000759014 [0,0,0,1,0,0|2,0,1]=4 4933 B17R1.29093 CCCCCCCCCCCNCCC1CO1 2230a_200011215754_100000732470 [0,0,0,1,0,0|2,0,1]=4 4934 B17R1.29093 CCCCCCCCCCCNCCC1CO1 34a_200011215754_100000732470 [0,0,0,1,0,0|2,0,1]=4 4935 B17R1.29093 CCCCCCCCCCCOCCC1CO1 34a_100000210809_100000732470 [0,0,0,1,0,0|2,0,1]=4 4936 B17R1.29093 CCCCCCCCCCCOCCC1CO1 7a_100000210809_100000732470 [0,0,0,1,0,0|2,0,1]=4 4937 B17R1.29093 CCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011215454 [0,0,0,1,0,0|2,0,1]=4 4938 B17R1.29093 CCCCCCCCCCCSCCC1CO1 62a_100000732470_100011215454 [0,0,0,1,0,0|2,0,1]=4 4939 B17R1.29093 CCCCCCCCCCNCCCC1CO1 2230a_100000684558_100000733510 [0,0,0,1,0,0|2,0,1]=4 4940 B17R1.29093 CCCCCCCCCCNCCCC1CO1 34a_100000684558_100000733510 [0,0,0,1,0,0|2,0,1]=4 4941 B17R1.29093 CCCCCCCCCCOCCCC1CO1 34a_100000210711_100000733510 [0,0,0,1,0,0|2,0,1]=4 4942 B17R1.29093 CCCCCCCCCCOCCCC1CO1 7a_100000210711_100000733510 [0,0,0,1,0,0|2,0,1]=4 4943 B17R1.29093 CCCCCCCCCCSCCCC1CO1 62a_100000733510_100000210320 [0,0,0,1,0,0|2,0,1]=4 4944 B17R1.29200 C=CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011933949 [0,0,0,1,0,0|1,0,2]=4 4945 B17R1.29200 CCC#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_200000036426 [0,0,0,1,0,0|1,0,2]=4 4946 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [0,0,0,1,0,0|1,0,0]=2 4947 B17R1.29200 O=C(O)C1CCN1CCCCCCCCCO 269956a_100000021838_100009813782 [0,0,0,1,0,0|2,0,0]=3 4948 B17R1.103159 CC(=O)CCCCNCCC1CCCCCC1 34a_100011532351_100009817362 [0,0,0,1,0,0|2,0,0]=3 4949 B17R1.103159 CC(=O)CCCCOCCN1CCCCCC1 34a_100000238007_100009817362 [0,0,0,1,0,0|3,0,0]=4 4950 B17R1.103159 CC(=O)CCCCSCCN1CCCCCC1 62a_100000722644_100000735457 [0,0,0,1,0,0|3,0,0]=4 4951 B17R1.103159 CC(=O)CCCCSCCN1CCCCCC1 62a_100000735457_100000722644 [0,0,0,1,0,0|3,0,0]=4 4952 B17R1.103159 CC(=O)CCCOCCCN1CCCCCC1 34a_100102886287_100000685027 [0,0,0,1,0,0|3,0,0]=4 4953 B17R1.103159 CC(=O)CCCOCCCN1CCCCCC1 7a_100102886287_100011215641 [0,0,0,1,0,0|3,0,0]=4 4954 B17R1.103159 CC(=O)NCCCCCNC1CCCCCC1 270004a_200012022750_100000210131 [0,0,0,1,0,0|3,0,0]=4 4955 B17R1.103159 CC(=O)NCCCCCNC1CCCCCC1 34a_200012022750_100011217769 [0,0,0,1,0,0|3,0,0]=4 4956 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 2230a_200011368371_200000696569 [0,0,0,1,0,0|3,0,0]=4 4957 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 269862a_200011368371_200000763224 [0,0,0,1,0,0|3,0,0]=4 4958 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 34a_200011368371_200000696569 [0,0,0,1,0,0|3,0,0]=4 4959 B17R1.103159 CC(=O)OCCCCCNC1CCCCCC1 2230a_100000210984_100009813381 [0,0,0,1,0,0|3,0,0]=4 4960 B17R1.103159 CC(=O)OCCCCCNC1CCCCCC1 34a_100000210984_100000033007 [0,0,0,1,0,0|3,0,0]=4 4961 B17R1.103159 CC(=O)OCCCCCOC1CCCCCC1 34a_100000210887_100000033007 [0,0,0,1,0,0|3,0,0]=4 4962 B17R1.103159 CC(=O)OCCCCCOC1CCCCCC1 7a_100000210887_100000033007 [0,0,0,1,0,0|3,0,0]=4 4963 B17R1.103159 CC(=O)OCCCCCSC1CCCCCC1 62a_100000033007_100011217769 [0,0,0,1,0,0|3,0,0]=4 4964 B17R1.103159 CC(=O)OCCCCCSC1CCCCCC1 62a_100011217769_100000033007 [0,0,0,1,0,0|3,0,0]=4 4965 B17R1.103159 CC(=O)OCCCCNCC1CCCCCC1 34a_100015204231_100000033659 [0,0,0,1,0,0|3,0,0]=4 4966 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 34a_100000073216_200000696569 [0,0,0,1,0,0|3,0,0]=4 4967 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 34a_100000699130_100000033659 [0,0,0,1,0,0|3,0,0]=4 4968 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 7a_100000073216_200000696569 [0,0,0,1,0,0|3,0,0]=4 4969 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 7a_100000699130_100000033659 [0,0,0,1,0,0|3,0,0]=4 4970 B17R1.103159 CC(=O)OCCCCSCC1CCCCCC1 62a_100000033659_200000696569 [0,0,0,1,0,0|3,0,0]=4 4971 B17R1.103159 CC(=O)OCCCCSCC1CCCCCC1 62a_200000696569_100000033659 [0,0,0,1,0,0|3,0,0]=4 4972 B17R1.103159 CC(=O)OCCCNCCC1CCCCCC1 34a_100011532351_100000042594 [0,0,0,1,0,0|3,0,0]=4 4973 B17R1.103159 CC(=O)SCCCCNCC1CCCCCC1 2230a_100015204231_200010402107 [0,0,0,1,0,0|3,0,0]=4 4974 B17R1.103159 CC(=O)SCCCCNCC1CCCCCC1 34a_100015204231_200010402107 [0,0,0,1,0,0|3,0,0]=4 4975 B17R1.103159 CC(=O)SCCCCOCC1CCCCCC1 34a_100000699130_200010402107 [0,0,0,1,0,0|3,0,0]=4 4976 B17R1.103159 CC(=O)SCCCCOCC1CCCCCC1 7a_100000699130_200010402107 [0,0,0,1,0,0|3,0,0]=4 4977 B17R1.103159 CC(=O)SCCCCSCC1CCCCCC1 62a_200000696569_200010402107 [0,0,0,1,0,0|3,0,0]=4 4978 B17R1.103159 CC(=O)SCCCCSCC1CCCCCC1 62a_200010402107_200000696569 [0,0,0,1,0,0|3,0,0]=4 4979 B17R1.103159 CC(=O)SCCCNCCC1CCCCCC1 2230a_100011532351_100000038929 [0,0,0,1,0,0|3,0,0]=4 4980 B17R1.103159 CC(=O)SCCCNCCC1CCCCCC1 34a_100011532351_100000038929 [0,0,0,1,0,0|3,0,0]=4 4981 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 2230a_100015204231_100009817443 [0,0,0,1,0,0|2,0,0]=3 4982 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 34a_100015204231_100009817443 [0,0,0,1,0,0|2,0,0]=3 4983 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000123541_200000696569 [0,0,0,1,0,0|2,0,0]=3 4984 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000699130_100009817443 [0,0,0,1,0,0|2,0,0]=3 4985 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000123541_200000696569 [0,0,0,1,0,0|2,0,0]=3 4986 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000699130_100009817443 [0,0,0,1,0,0|2,0,0]=3 4987 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_100009817443_200000696569 [0,0,0,1,0,0|2,0,0]=3 4988 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_200000696569_100009817443 [0,0,0,1,0,0|2,0,0]=3 4989 B17R1.103159 NC(=O)CCCCOCCN1CCCCCC1 7a_100012022536_100000722644 [0,0,0,1,0,0|3,0,0]=4 4990 B17R1.103159 NC(=O)CCCOCCCN1CCCCCC1 34a_100102886287_100102525003 [0,0,0,1,0,0|3,0,0]=4 4991 B17R1.103159 NC(=O)CCCOCCCN1CCCCCC1 7a_100102886287_100102525003 [0,0,0,1,0,0|3,0,0]=4 4992 B17R1.103159 NC(=O)CCOCCCCN1CCCCCC1 34a_100011305542_100000731001 [0,0,0,1,0,0|3,0,0]=4 4993 B17R1.103159 NC(=O)COCCNCCC1CCCCCC1 2230a_100011532351_100000076697 [0,0,0,1,0,0|3,0,0]=4 4994 B17R1.103159 NC(=O)COCCNCCC1CCCCCC1 34a_100011532351_100000076697 [0,0,0,1,0,0|3,0,0]=4 4995 B17R1.103159 O=C(O)COCCNCCN1CCCCCC1 269956a_100000700818_100000722644 [0,0,0,1,0,0|3,0,0]=4 4996 B17R1.103159 O=C([O-])CCCCCOCC1CCCCCC1 7a_100102619762_200000696569 [0,0,0,1,0,0|1,0,1]=3 4997 B17R1.103159 OB(O)CCCCCCNC1CCCCCC1 2230a_100000210984_100009817187 [0,0,0,1,0,0|2,0,1]=4 4998 B17R1.103159 OB(O)CCCCCCNC1CCCCCC1 34a_100000210984_100009817187 [0,0,0,1,0,0|2,0,1]=4 4999 B17R1.103159 OB(O)CCCCCCOC1CCCCCC1 34a_100000210887_100009817187 [0,0,0,1,0,0|2,0,1]=4 5000 B17R1.103159 OB(O)CCCCCCOC1CCCCCC1 7a_100000210887_100009817187 [0,0,0,1,0,0|2,0,1]=4 5001 B17R1.103159 OB(O)CCCCCCSC1CCCCCC1 62a_100009817187_100011217769 [0,0,0,1,0,0|2,0,1]=4 5002 B17R1.103159 OB(O)CCCCCCSC1CCCCCC1 62a_100011217769_100009817187 [0,0,0,1,0,0|2,0,1]=4 5003 B17R1.103159 OB(O)CCCCCNCC1CCCCCC1 2230a_100015204231_200009817188 [0,0,0,1,0,0|2,0,1]=4 5004 B17R1.103159 OB(O)CCCCCNCC1CCCCCC1 34a_100015204231_200009817188 [0,0,0,1,0,0|2,0,1]=4 5005 B17R1.103159 OB(O)CCCCCOCC1CCCCCC1 34a_100000699130_200009817188 [0,0,0,1,0,0|2,0,1]=4 5006 B17R1.103159 OB(O)CCCCCOCC1CCCCCC1 7a_100000699130_200009817188 [0,0,0,1,0,0|2,0,1]=4 5007 B17R1.103159 OB(O)CCCCCSCC1CCCCCC1 62a_200000696569_200009817188 [0,0,0,1,0,0|2,0,1]=4 5008 B17R1.103159 OB(O)CCCCCSCC1CCCCCC1 62a_200009817188_200000696569 [0,0,0,1,0,0|2,0,1]=4 5009 B17R1.103159 OB(O)CCCCNCCC1CCCCCC1 2230a_100011532351_200009817182 [0,0,0,1,0,0|2,0,1]=4 5010 B17R1.103159 OB(O)CCCCNCCC1CCCCCC1 34a_100011532351_200009817182 [0,0,0,1,0,0|2,0,1]=4 5011 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [2,0,0,0,0,0|1,0,1]=4 5012 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [2,0,0,0,0,0|1,0,1]=4 5013 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [2,0,0,0,0,0|1,0,1]=4 5014 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [2,0,0,0,0,0|1,0,1]=4 5015 B14R0.392 C=CCCCCCCCCCCCSC 62a_102130925996_200000210301 [2,0,0,0,0,0|1,0,1]=4 5016 B14R0.392 C=CCCCCCCCCCCCSC 62a_200000210301_102130925996 [2,0,0,0,0,0|1,0,1]=4 5017 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_102130925996_200025704644 [2,0,0,0,0,0|1,0,1]=4 5018 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_200025704644_102130925996 [2,0,0,0,0,0|1,0,1]=4 5019 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [2,0,0,0,0,0|1,0,1]=4 5020 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [2,0,0,0,0,0|1,0,1]=4 5021 B14R0.392 C=CCCCCCCCCCCSCC 62a_100000210202_100011093070 [2,0,0,0,0,0|1,0,1]=4 5022 B14R0.392 C=CCCCCCCCCCCSCC 62a_100011093070_100000210202 [2,0,0,0,0,0|1,0,1]=4 5023 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [2,0,0,0,0,0|1,0,1]=4 5024 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [2,0,0,0,0,0|1,0,1]=4 5025 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [2,0,0,0,0,0|1,0,1]=4 5026 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [2,0,0,0,0,0|1,0,1]=4 5027 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [2,0,0,0,0,0|1,0,1]=4 5028 B14R0.392 C=CCCCCCCCCCSCCC 62a_100000210303_100009814027 [2,0,0,0,0,0|1,0,1]=4 5029 B14R0.392 C=CCCCCCCCCCSCCC 62a_100009814027_100000210303 [2,0,0,0,0,0|1,0,1]=4 5030 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [2,0,0,0,0,0|1,0,1]=4 5031 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [2,0,0,0,0,0|1,0,1]=4 5032 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [2,0,0,0,0,0|1,0,1]=4 5033 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [2,0,0,0,0,0|1,0,1]=4 5034 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [2,0,0,0,0,0|1,0,1]=4 5035 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [2,0,0,0,0,0|1,0,1]=4 5036 B14R0.392 C=CCCCCCCCCSCCCC 62a_100000210211_100011933949 [2,0,0,0,0,0|1,0,1]=4 5037 B14R0.392 C=CCCCCCCCCSCCCC 62a_100011933949_100000210210 [2,0,0,0,0,0|1,0,1]=4 5038 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [2,0,0,0,0,0|1,0,1]=4 5039 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [2,0,0,0,0,0|1,0,1]=4 5040 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [2,0,0,0,0,0|1,0,1]=4 5041 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [2,0,0,0,0,0|1,0,1]=4 5042 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [2,0,0,0,0,0|1,0,1]=4 5043 B14R0.392 C=CCCCCCCCSCCCCC 62a_100000210326_100012355270 [2,0,0,0,0,0|1,0,1]=4 5044 B14R0.392 C=CCCCCCCCSCCCCC 62a_100012355270_100000210326 [2,0,0,0,0,0|1,0,1]=4 5045 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [2,0,0,0,0,0|1,0,1]=4 5046 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [2,0,0,0,0,0|1,0,1]=4 5047 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [2,0,0,0,0,0|1,0,1]=4 5048 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [2,0,0,0,0,0|1,0,1]=4 5049 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [2,0,0,0,0,0|1,0,1]=4 5050 B14R0.392 C=CCCCCCCSCCCCCC 62a_100000210314_100011215473 [2,0,0,0,0,0|1,0,1]=4 5051 B14R0.392 C=CCCCCCCSCCCCCC 62a_100011215473_100000210757 [2,0,0,0,0,0|1,0,1]=4 5052 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [2,0,0,0,0,0|1,0,1]=4 5053 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [2,0,0,0,0,0|1,0,1]=4 5054 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [2,0,0,0,0,0|1,0,1]=4 5055 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [2,0,0,0,0,0|1,0,1]=4 5056 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [2,0,0,0,0,0|1,0,1]=4 5057 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000210614_100000700193 [2,0,0,0,0,0|1,0,1]=4 5058 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000700193_100000210316 [2,0,0,0,0,0|1,0,1]=4 5059 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [2,0,0,0,0,0|1,0,1]=4 5060 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [2,0,0,0,0,0|1,0,1]=4 5061 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [2,0,0,0,0,0|1,0,1]=4 5062 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [2,0,0,0,0,0|1,0,1]=4 5063 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [2,0,0,0,0,0|1,0,1]=4 5064 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [2,0,0,0,0,0|1,0,1]=4 5065 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [2,0,0,0,0,0|1,0,1]=4 5066 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [2,0,0,0,0,0|1,0,1]=4 5067 B14R0.392 C=CCCCCSCCCCCCCC 62a_100000210759_100011215482 [2,0,0,0,0,0|1,0,1]=4 5068 B14R0.392 C=CCCCCSCCCCCCCC 62a_100011215482_100000210317 [2,0,0,0,0,0|1,0,1]=4 5069 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [2,0,0,0,0,0|1,0,1]=4 5070 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [2,0,0,0,0,0|1,0,1]=4 5071 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [2,0,0,0,0,0|1,0,1]=4 5072 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [2,0,0,0,0,0|1,0,1]=4 5073 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [2,0,0,0,0,0|1,0,1]=4 5074 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [2,0,0,0,0,0|1,0,1]=4 5075 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [2,0,0,0,0,0|1,0,1]=4 5076 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [2,0,0,0,0,0|1,0,1]=4 5077 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [2,0,0,0,0,0|1,0,1]=4 5078 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [2,0,0,0,0,0|1,0,1]=4 5079 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [2,0,0,0,0,0|1,0,1]=4 5080 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [2,0,0,0,0,0|1,0,1]=4 5081 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [2,0,0,0,0,0|1,0,1]=4 5082 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [2,0,0,0,0,0|1,0,1]=4 5083 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [2,0,0,0,0,0|1,0,1]=4 5084 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [2,0,0,0,0,0|1,0,1]=4 5085 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [2,0,0,0,0,0|1,0,1]=4 5086 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [2,0,0,0,0,0|1,0,1]=4 5087 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [2,0,0,0,0,0|1,0,1]=4 5088 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [2,0,0,0,0,0|1,0,1]=4 5089 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [2,0,0,0,0,0|1,0,1]=4 5090 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [2,0,0,0,0,0|1,0,1]=4 5091 B14R0.392 C=CCSCCCCCCCCCCC 62a_100000210623_100011215454 [2,0,0,0,0,0|1,0,1]=4 5092 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [2,0,0,0,0,0|1,0,1]=4 5093 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [2,0,0,0,0,0|1,0,1]=4 5094 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [2,0,0,0,0,0|1,0,1]=4 5095 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [2,0,0,0,0,0|1,0,1]=4 5096 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [2,0,0,0,0,0|1,0,1]=4 5097 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [2,0,0,0,0,0|1,0,1]=4 5098 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [2,0,0,0,0,0|1,0,1]=4 5099 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [2,0,0,0,0,0|1,0,1]=4 5100 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [2,0,0,0,0,0|1,0,1]=4 5101 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [2,0,0,0,0,0|1,0,1]=4 5102 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [2,0,0,0,0,0|1,0,1]=4 5103 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [2,0,0,0,0,0|1,0,1]=4 5104 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [2,0,0,0,0,0|1,0,1]=4 5105 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [2,0,0,0,0,0|1,0,1]=4 5106 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [2,0,0,0,0,0|1,0,1]=4 5107 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [2,0,0,0,0,0|1,0,1]=4 5108 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [2,0,0,0,0,0|1,0,1]=4 5109 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [2,0,0,0,0,0|1,0,1]=4 5110 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [2,0,0,0,0,0|1,0,1]=4 5111 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [2,0,0,0,0,0|2,0,0]=4 5112 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [2,0,0,0,0,0|1,0,1]=4 5113 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [2,0,0,0,0,0|1,0,1]=4 5114 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [2,0,0,0,0,0|1,0,1]=4 5115 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [2,0,0,0,0,0|2,0,0]=4 5116 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [2,0,0,0,0,0|2,0,0]=4 5117 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [2,0,0,0,0,0|1,0,1]=4 5118 B14R0.392 CCCCCCCCCCCCSCF 62a_100015361967_100000759014 [2,0,0,0,0,0|2,0,0]=4 5119 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [2,0,0,0,0,0|1,0,0]=3 5120 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [2,0,0,0,0,0|1,0,0]=3 5121 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [2,0,0,0,0,0|1,0,1]=4 5122 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [2,0,0,0,0,0|1,0,1]=4 5123 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [2,0,0,0,0,0|2,0,0]=4 5124 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [2,0,0,0,0,0|2,0,0]=4 5125 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [2,0,0,0,0,0|2,0,0]=4 5126 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [2,0,0,0,0,0|1,0,0]=3 5127 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [2,0,0,0,0,0|1,0,0]=3 5128 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [2,0,0,0,0,0|1,0,0]=3 5129 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [2,0,0,0,0,0|1,0,0]=3 5130 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [2,0,0,0,0,0|1,0,0]=3 5131 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [2,0,0,0,0,0|1,0,0]=3 5132 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [2,0,0,0,0,0|2,0,0]=4 5133 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [2,0,0,0,0,0|1,0,1]=4 5134 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [2,0,0,0,0,0|1,0,1]=4 5135 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [2,0,0,0,0,0|1,0,1]=4 5136 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [2,0,0,0,0,0|2,0,0]=4 5137 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [2,0,0,0,0,0|2,0,0]=4 5138 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [2,0,0,0,0,0|2,0,0]=4 5139 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [2,0,0,0,0,0|1,0,0]=3 5140 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [2,0,0,0,0,0|1,0,0]=3 5141 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [2,0,0,0,0,0|1,0,0]=3 5142 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [2,0,0,0,0,0|1,0,1]=4 5143 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [2,0,0,0,0,0|2,0,0]=4 5144 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [2,0,0,0,0,0|1,0,0]=3 5145 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [2,0,0,0,0,0|1,0,1]=4 5146 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [2,0,0,0,0,0|1,0,1]=4 5147 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [2,0,0,0,0,0|1,0,1]=4 5148 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [2,0,0,0,0,0|1,0,1]=4 5149 B14R0.392 CCCCCCCCCCNCCCF 2230a_100000684558_100011934791 [2,0,0,0,0,0|2,0,0]=4 5150 B14R0.392 CCCCCCCCCCNCCCF 2230a_100015189416_100000210320 [2,0,0,0,0,0|2,0,0]=4 5151 B14R0.392 CCCCCCCCCCNCCCF 34a_100000684558_100011934791 [2,0,0,0,0,0|2,0,0]=4 5152 B14R0.392 CCCCCCCCCCNCCCF 34a_100015189416_100000210320 [2,0,0,0,0,0|2,0,0]=4 5153 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [2,0,0,0,0,0|1,0,0]=3 5154 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [2,0,0,0,0,0|1,0,0]=3 5155 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [2,0,0,0,0,0|2,0,0]=4 5156 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [2,0,0,0,0,0|1,0,1]=4 5157 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [2,0,0,0,0,0|1,0,1]=4 5158 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [2,0,0,0,0,0|1,0,1]=4 5159 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [2,0,0,0,0,0|1,0,1]=4 5160 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [2,0,0,0,0,0|2,0,0]=4 5161 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [2,0,0,0,0,0|2,0,0]=4 5162 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [2,0,0,0,0,0|2,0,0]=4 5163 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [2,0,0,0,0,0|2,0,0]=4 5164 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [2,0,0,0,0,0|2,0,0]=4 5165 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [2,0,0,0,0,0|1,0,0]=3 5166 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [2,0,0,0,0,0|1,0,0]=3 5167 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [2,0,0,0,0,0|1,0,1]=4 5168 B14R0.392 CCCCCCCCCCSCCCF 62a_100011934791_100000210320 [2,0,0,0,0,0|2,0,0]=4 5169 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [2,0,0,0,0,0|1,0,0]=3 5170 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [2,0,0,0,0,0|1,0,0]=3 5171 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [2,0,0,0,0,0|1,0,1]=4 5172 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [2,0,0,0,0,0|1,0,1]=4 5173 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [2,0,0,0,0,0|1,0,1]=4 5174 B14R0.392 CCCCCCCCCNCCCCF 2230a_100000212291_100000729493 [2,0,0,0,0,0|2,0,0]=4 5175 B14R0.392 CCCCCCCCCNCCCCF 34a_100000212291_100000729493 [2,0,0,0,0,0|2,0,0]=4 5176 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [2,0,0,0,0,0|1,0,0]=3 5177 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [2,0,0,0,0,0|1,0,0]=3 5178 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [2,0,0,0,0,0|1,0,0]=3 5179 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [2,0,0,0,0,0|1,0,0]=3 5180 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [2,0,0,0,0,0|1,0,0]=3 5181 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [2,0,0,0,0,0|2,0,0]=4 5182 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [2,0,0,0,0,0|1,0,1]=4 5183 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [2,0,0,0,0,0|1,0,1]=4 5184 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [2,0,0,0,0,0|1,0,1]=4 5185 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [2,0,0,0,0,0|1,0,1]=4 5186 B14R0.392 CCCCCCCCCOCCCCCl 34a_100000210776_100011214924 [2,0,0,0,0,0|2,0,0]=4 5187 B14R0.392 CCCCCCCCCOCCCCCl 7a_100000210776_100000210328 [2,0,0,0,0,0|2,0,0]=4 5188 B14R0.392 CCCCCCCCCOCCCCF 34a_100000210712_100000729493 [2,0,0,0,0,0|2,0,0]=4 5189 B14R0.392 CCCCCCCCCOCCCCF 34a_100011995726_100011214924 [2,0,0,0,0,0|2,0,0]=4 5190 B14R0.392 CCCCCCCCCOCCCCF 7a_100000210712_100000729493 [2,0,0,0,0,0|2,0,0]=4 5191 B14R0.392 CCCCCCCCCOCCCCF 7a_100011995726_100000210328 [2,0,0,0,0,0|2,0,0]=4 5192 B14R0.392 CCCCCCCCCOCCCCI 34a_200012148704_100011214924 [2,0,0,0,0,0|2,0,0]=4 5193 B14R0.392 CCCCCCCCCOCCCCN 34a_100000750430_100011214924 [2,0,0,0,0,0|2,0,0]=4 5194 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [2,0,0,0,0,0|1,0,0]=3 5195 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [2,0,0,0,0,0|1,0,0]=3 5196 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [2,0,0,0,0,0|1,0,0]=3 5197 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [2,0,0,0,0,0|1,0,1]=4 5198 B14R0.392 CCCCCCCCCSCCCCF 62a_100000729493_100000210670 [2,0,0,0,0,0|2,0,0]=4 5199 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [2,0,0,0,0,0|1,0,0]=3 5200 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [2,0,0,0,0,0|1,0,0]=3 5201 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [2,0,0,0,0,0|1,0,1]=4 5202 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [2,0,0,0,0,0|1,0,1]=4 5203 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [2,0,0,0,0,0|1,0,1]=4 5204 B14R0.392 CCCCCCCCNCCCCCF 2230a_100000229939_100000729378 [2,0,0,0,0,0|2,0,0]=4 5205 B14R0.392 CCCCCCCCNCCCCCF 34a_100000229939_100000729378 [2,0,0,0,0,0|2,0,0]=4 5206 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [2,0,0,0,0,0|1,0,0]=3 5207 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [2,0,0,0,0,0|1,0,0]=3 5208 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [2,0,0,0,0,0|1,0,0]=3 5209 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [2,0,0,0,0,0|1,0,0]=3 5210 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000211614_100000210759 [2,0,0,0,0,0|2,0,0]=4 5211 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000229939_100011215305 [2,0,0,0,0,0|2,0,0]=4 5212 B14R0.392 CCCCCCCCNCCOCCO 34a_100000211614_100000210759 [2,0,0,0,0,0|2,0,0]=4 5213 B14R0.392 CCCCCCCCNCCOCCO 34a_100000229939_100000692535 [2,0,0,0,0,0|2,0,0]=4 5214 B14R0.392 CCCCCCCCNCCSCCO 2230a_100011219999_100000210759 [2,0,0,0,0,0|2,0,0]=4 5215 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [2,0,0,0,0,0|1,0,0]=3 5216 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [2,0,0,0,0,0|2,0,0]=4 5217 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [2,0,0,0,0,0|2,0,0]=4 5218 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [2,0,0,0,0,0|1,0,1]=4 5219 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [2,0,0,0,0,0|1,0,1]=4 5220 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [2,0,0,0,0,0|1,0,1]=4 5221 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [2,0,0,0,0,0|1,0,1]=4 5222 B14R0.392 CCCCCCCCOCCCCCCl 34a_100000746330_100000210759 [2,0,0,0,0,0|2,0,0]=4 5223 B14R0.392 CCCCCCCCOCCCCCCl 7a_100000746330_100000210759 [2,0,0,0,0,0|2,0,0]=4 5224 B14R0.392 CCCCCCCCOCCCCCF 34a_100000210232_100000729378 [2,0,0,0,0,0|2,0,0]=4 5225 B14R0.392 CCCCCCCCOCCCCCF 7a_100000210232_100000729378 [2,0,0,0,0,0|2,0,0]=4 5226 B14R0.392 CCCCCCCCOCCCCCI 34a_200012148887_100000210759 [2,0,0,0,0,0|2,0,0]=4 5227 B14R0.392 CCCCCCCCOCCCCCI 7a_200012148887_100000210759 [2,0,0,0,0,0|2,0,0]=4 5228 B14R0.392 CCCCCCCCOCCCCCN 34a_100000762737_100000210759 [2,0,0,0,0,0|2,0,0]=4 5229 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [2,0,0,0,0,0|1,0,0]=3 5230 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [2,0,0,0,0,0|1,0,0]=3 5231 B14R0.392 CCCCCCCCOCCOCCO 34a_100000210232_100000692535 [2,0,0,0,0,0|2,0,0]=4 5232 B14R0.392 CCCCCCCCOCCOCCO 7a_100000210232_100011215305 [2,0,0,0,0,0|2,0,0]=4 5233 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [2,0,0,0,0,0|1,0,0]=3 5234 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [2,0,0,0,0,0|1,0,0]=3 5235 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [2,0,0,0,0,0|1,0,1]=4 5236 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [2,0,0,0,0,0|1,0,1]=4 5237 B14R0.392 CCCCCCCCSCCCCCF 62a_100000210759_100000729378 [2,0,0,0,0,0|2,0,0]=4 5238 B14R0.392 CCCCCCCCSCCCCCF 62a_100000729378_100000210317 [2,0,0,0,0,0|2,0,0]=4 5239 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [2,0,0,0,0,0|1,0,0]=3 5240 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [2,0,0,0,0,0|1,0,0]=3 5241 B14R0.392 CCCCCCCCSCCOCCO 62a_100000210759_100011215305 [2,0,0,0,0,0|2,0,0]=4 5242 B14R0.392 CCCCCCCCSCCOCCO 62a_100011215305_100000210317 [2,0,0,0,0,0|2,0,0]=4 5243 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [2,0,0,0,0,0|1,0,0]=3 5244 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [2,0,0,0,0,0|1,0,1]=4 5245 B14R0.392 CCCCCCCNCCCCCCF 2230a_100000229938_100015922095 [2,0,0,0,0,0|2,0,0]=4 5246 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [2,0,0,0,0,0|1,0,0]=3 5247 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [2,0,0,0,0,0|1,0,0]=3 5248 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [2,0,0,0,0,0|1,0,0]=3 5249 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [2,0,0,0,0,0|1,0,0]=3 5250 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [2,0,0,0,0,0|2,0,0]=4 5251 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [2,0,0,0,0,0|2,0,0]=4 5252 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [2,0,0,0,0,0|1,0,1]=4 5253 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [2,0,0,0,0,0|1,0,1]=4 5254 B14R0.392 CCCCCCCOCCCCCCCl 34a_100000766143_100000210614 [2,0,0,0,0,0|2,0,0]=4 5255 B14R0.392 CCCCCCCOCCCCCCCl 7a_100000766143_100000210614 [2,0,0,0,0,0|2,0,0]=4 5256 B14R0.392 CCCCCCCOCCCCCCF 34a_100000210272_100015922095 [2,0,0,0,0,0|2,0,0]=4 5257 B14R0.392 CCCCCCCOCCCCCCF 34a_100000732779_100000210614 [2,0,0,0,0,0|2,0,0]=4 5258 B14R0.392 CCCCCCCOCCCCCCF 7a_100000210272_100015922095 [2,0,0,0,0,0|2,0,0]=4 5259 B14R0.392 CCCCCCCOCCCCCCF 7a_100000732779_100000210614 [2,0,0,0,0,0|2,0,0]=4 5260 B14R0.392 CCCCCCCOCCCCCCN 34a_100000686447_100000210614 [2,0,0,0,0,0|2,0,0]=4 5261 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [2,0,0,0,0,0|1,0,0]=3 5262 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [2,0,0,0,0,0|1,0,0]=3 5263 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [2,0,0,0,0,0|1,0,0]=3 5264 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [2,0,0,0,0,0|1,0,0]=3 5265 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [2,0,0,0,0,0|1,0,1]=4 5266 B14R0.392 CCCCCCCSCCCCCCF 62a_100000210614_100015922095 [2,0,0,0,0,0|2,0,0]=4 5267 B14R0.392 CCCCCCCSCCCCCCF 62a_100015922095_100000210316 [2,0,0,0,0,0|2,0,0]=4 5268 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [2,0,0,0,0,0|1,0,0]=3 5269 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [2,0,0,0,0,0|1,0,0]=3 5270 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [2,0,0,0,0,0|1,0,0]=3 5271 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [2,0,0,0,0,0|1,0,0]=3 5272 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [2,0,0,0,0,0|1,0,0]=3 5273 B14R0.392 CCCCCCNCCCOCCCO 2230a_100011310245_100000210314 [2,0,0,0,0,0|2,0,0]=4 5274 B14R0.392 CCCCCCNCCCOCCCO 34a_100011310245_100000210314 [2,0,0,0,0,0|2,0,0]=4 5275 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [2,0,0,0,0,0|2,0,0]=4 5276 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [2,0,0,0,0,0|2,0,0]=4 5277 B14R0.392 CCCCCCOCCCCCCCN 34a_100011996573_100000210314 [2,0,0,0,0,0|2,0,0]=4 5278 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [2,0,0,0,0,0|1,0,0]=3 5279 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [2,0,0,0,0,0|1,0,0]=3 5280 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [2,0,0,0,0,0|2,0,0]=4 5281 B14R0.392 CCCCCCOCCOCCCCO 34a_100000691444_100011216708 [2,0,0,0,0,0|2,0,0]=4 5282 B14R0.392 CCCCCCOCCOCCCCO 7a_100000691444_100000210776 [2,0,0,0,0,0|2,0,0]=4 5283 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [2,0,0,0,0,0|1,0,0]=3 5284 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [2,0,0,0,0,0|1,0,0]=3 5285 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [2,0,0,0,0,0|1,0,0]=3 5286 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [2,0,0,0,0,0|1,0,0]=3 5287 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [2,0,0,0,0,0|1,0,0]=3 5288 B14R0.392 CCCCCNCCOCCCCCO 34a_100000224656_100000746330 [2,0,0,0,0,0|2,0,0]=4 5289 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [2,0,0,0,0,0|2,0,0]=4 5290 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [2,0,0,0,0,0|2,0,0]=4 5291 B14R0.392 CCCCCOCCCCCCCCCl 34a_100000033203_100000718602 [2,0,0,0,0,0|2,0,0]=4 5292 B14R0.392 CCCCCOCCCCCCCCCl 7a_100000033203_100000210326 [2,0,0,0,0,0|2,0,0]=4 5293 B14R0.392 CCCCCOCCCCCCCCN 34a_102515433106_100000718602 [2,0,0,0,0,0|2,0,0]=4 5294 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [2,0,0,0,0,0|1,0,0]=3 5295 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [2,0,0,0,0,0|1,0,0]=3 5296 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [2,0,0,0,0,0|2,0,0]=4 5297 B14R0.392 CCCCCOCCOCCCCCO 34a_100011215259_100000746330 [2,0,0,0,0,0|2,0,0]=4 5298 B14R0.392 CCCCCOCCOCCCCCO 7a_100011215259_100000746330 [2,0,0,0,0,0|2,0,0]=4 5299 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [2,0,0,0,0,0|1,0,0]=3 5300 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [2,0,0,0,0,0|1,0,0]=3 5301 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [2,0,0,0,0,0|1,0,0]=3 5302 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [2,0,0,0,0,0|1,0,0]=3 5303 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [2,0,0,0,0,0|1,0,0]=3 5304 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [2,0,0,0,0,0|1,0,0]=3 5305 B14R0.392 CCCCNCCCCOCCCCO 34a_200011216965_100011216708 [2,0,0,0,0,0|2,0,0]=4 5306 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [2,0,0,0,0,0|2,0,0]=4 5307 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [2,0,0,0,0,0|2,0,0]=4 5308 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [2,0,0,0,0,0|2,0,0]=4 5309 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [2,0,0,0,0,0|2,0,0]=4 5310 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [2,0,0,0,0,0|2,0,0]=4 5311 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [2,0,0,0,0,0|1,0,0]=3 5312 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [2,0,0,0,0,0|1,0,0]=3 5313 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [2,0,0,0,0,0|2,0,0]=4 5314 B14R0.392 CCCCOCCCCOCCCCO 34a_200000760531_100011216708 [2,0,0,0,0,0|2,0,0]=4 5315 B14R0.392 CCCCOCCCCOCCCCO 7a_200000760531_100000210776 [2,0,0,0,0,0|2,0,0]=4 5316 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [2,0,0,0,0,0|2,0,0]=4 5317 B14R0.392 CCCCOCCCNCCCCCO 2230a_200000211371_100000746330 [2,0,0,0,0,0|2,0,0]=4 5318 B14R0.392 CCCCOCCCNCCCCCO 34a_200000211371_100000746330 [2,0,0,0,0,0|2,0,0]=4 5319 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [2,0,0,0,0,0|2,0,0]=4 5320 B14R0.392 CCCCOCCCOCCCCCO 34a_200011215613_100000746330 [2,0,0,0,0,0|2,0,0]=4 5321 B14R0.392 CCCCOCCCOCCCCCO 7a_200011215613_100000746330 [2,0,0,0,0,0|2,0,0]=4 5322 B14R0.392 CCCCOCCNCCCCCCO 2230a_100000686447_100000743108 [2,0,0,0,0,0|2,0,0]=4 5323 B14R0.392 CCCCOCCNCCCCCCO 34a_100000686447_100000743108 [2,0,0,0,0,0|2,0,0]=4 5324 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [2,0,0,0,0,0|2,0,0]=4 5325 B14R0.392 CCCCOCCOCCCCCCO 34a_100000210238_100000766143 [2,0,0,0,0,0|2,0,0]=4 5326 B14R0.392 CCCCOCCOCCCCCCO 7a_100000210238_100000766143 [2,0,0,0,0,0|2,0,0]=4 5327 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [2,0,0,0,0,0|2,0,0]=4 5328 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [2,0,0,0,0,0|2,0,0]=4 5329 B14R0.392 CCCCOCCSCCCCCCO 62a_100000743108_100000766143 [2,0,0,0,0,0|2,0,0]=4 5330 B14R0.392 CCCCOCCSCCCCCCO 62a_100000766143_100000743108 [2,0,0,0,0,0|2,0,0]=4 5331 B14R0.392 CCCCOCNCCCCCCCO 2230a_100011996573_100011995733 [2,0,0,0,0,0|2,0,0]=4 5332 B14R0.392 CCCCOCNCCCCCCCO 34a_100011996573_100011995733 [2,0,0,0,0,0|2,0,0]=4 5333 B14R0.392 CCCCOCSCCCCCCCO 62a_100000760002_100011995733 [2,0,0,0,0,0|2,0,0]=4 5334 B14R0.392 CCCCOCSCCCCCCCO 62a_100011995733_100000760002 [2,0,0,0,0,0|2,0,0]=4 5335 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [2,0,0,0,0,0|1,0,0]=3 5336 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [2,0,0,0,0,0|1,0,0]=3 5337 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [2,0,0,0,0,0|2,0,0]=4 5338 B14R0.392 CCCCSCCNCCCCCCO 2230a_100025743550_100000766143 [2,0,0,0,0,0|2,0,0]=4 5339 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [2,0,0,0,0,0|2,0,0]=4 5340 B14R0.392 CCCCSCCOCCCCCCO 34a_200000230436_100000766143 [2,0,0,0,0,0|2,0,0]=4 5341 B14R0.392 CCCCSCCOCCCCCCO 7a_200000230436_100000766143 [2,0,0,0,0,0|2,0,0]=4 5342 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [2,0,0,0,0,0|1,0,0]=3 5343 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [2,0,0,0,0,0|1,0,0]=3 5344 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [2,0,0,0,0,0|2,0,0]=4 5345 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [2,0,0,0,0,0|2,0,0]=4 5346 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [2,0,0,0,0,0|2,0,0]=4 5347 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [2,0,0,0,0,0|2,0,0]=4 5348 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [2,0,0,0,0,0|2,0,0]=4 5349 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [2,0,0,0,0,0|1,0,0]=3 5350 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [2,0,0,0,0,0|2,0,0]=4 5351 B14R0.392 CCCOCCCNCCCCCCO 2230a_100011217757_100000766143 [2,0,0,0,0,0|2,0,0]=4 5352 B14R0.392 CCCOCCCNCCCCCCO 34a_100011217757_100000766143 [2,0,0,0,0,0|2,0,0]=4 5353 B14R0.392 CCCOCCNCCCCCCCO 2230a_100011996573_100011215938 [2,0,0,0,0,0|2,0,0]=4 5354 B14R0.392 CCCOCCNCCCCCCCO 2230a_100161115042_100000760002 [2,0,0,0,0,0|2,0,0]=4 5355 B14R0.392 CCCOCCNCCCCCCCO 34a_100011996573_100011215938 [2,0,0,0,0,0|2,0,0]=4 5356 B14R0.392 CCCOCCNCCCCCCCO 34a_100161115042_100000760002 [2,0,0,0,0,0|2,0,0]=4 5357 B14R0.392 CCCOCCOCCCCCCCO 34a_100000752267_100000760002 [2,0,0,0,0,0|2,0,0]=4 5358 B14R0.392 CCCOCCOCCCCCCCO 7a_100000752267_100000760002 [2,0,0,0,0,0|2,0,0]=4 5359 B14R0.392 CCCOCCSCCCCCCCO 62a_100000760002_100011215938 [2,0,0,0,0,0|2,0,0]=4 5360 B14R0.392 CCCOCCSCCCCCCCO 62a_100011215938_100000760002 [2,0,0,0,0,0|2,0,0]=4 5361 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [2,0,0,0,0,0|1,0,0]=3 5362 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [2,0,0,0,0,0|1,0,0]=3 5363 B14R0.392 CCCSCCNCCCCCCCO 2230a_100020603323_100000760002 [2,0,0,0,0,0|2,0,0]=4 5364 B14R0.392 CCCSCCOCCCCCCCO 34a_200000230433_100000760002 [2,0,0,0,0,0|2,0,0]=4 5365 B14R0.392 CCCSCCOCCCCCCCO 7a_200000230433_100000760002 [2,0,0,0,0,0|2,0,0]=4 5366 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [2,0,0,0,0,0|1,0,0]=3 5367 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [2,0,0,0,0,0|2,0,0]=4 5368 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [2,0,0,0,0,0|2,0,0]=4 5369 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [2,0,0,0,0,0|1,0,0]=3 5370 B14R0.392 CCOCCCNCCCCCCCO 2230a_100000210961_100000760002 [2,0,0,0,0,0|2,0,0]=4 5371 B14R0.392 CCOCCCNCCCCCCCO 2230a_100011996573_100012232248 [2,0,0,0,0,0|2,0,0]=4 5372 B14R0.392 CCOCCCNCCCCCCCO 34a_100000210961_100000760002 [2,0,0,0,0,0|2,0,0]=4 5373 B14R0.392 CCOCCCNCCCCCCCO 34a_100011996573_100012232248 [2,0,0,0,0,0|2,0,0]=4 5374 B14R0.392 CCOCCCOCCCCCCCO 34a_100000757476_100000760002 [2,0,0,0,0,0|2,0,0]=4 5375 B14R0.392 CCOCCCOCCCCCCCO 7a_100000757476_100000760002 [2,0,0,0,0,0|2,0,0]=4 5376 B14R0.392 CCOCCCSCCCCCCCO 62a_100000760002_100012232248 [2,0,0,0,0,0|2,0,0]=4 5377 B14R0.392 CCOCCCSCCCCCCCO 62a_100012232248_100000760002 [2,0,0,0,0,0|2,0,0]=4 5378 B14R0.392 CCOCCNCCCCCCCCO 2230a_102515433106_100011215890 [2,0,0,0,0,0|2,0,0]=4 5379 B14R0.392 CCOCCNCCCCCCCCO 2230a_102516460346_100000033203 [2,0,0,0,0,0|2,0,0]=4 5380 B14R0.392 CCOCCNCCCCCCCCO 34a_102515433106_100000210147 [2,0,0,0,0,0|2,0,0]=4 5381 B14R0.392 CCOCCNCCCCCCCCO 34a_102516460346_100000033203 [2,0,0,0,0,0|2,0,0]=4 5382 B14R0.392 CCOCCOCCCCCCCCO 34a_100000210136_100000033203 [2,0,0,0,0,0|2,0,0]=4 5383 B14R0.392 CCOCCOCCCCCCCCO 7a_100000210136_100000033203 [2,0,0,0,0,0|2,0,0]=4 5384 B14R0.392 CCOCCSCCCCCCCCO 62a_100000033203_100011215890 [2,0,0,0,0,0|2,0,0]=4 5385 B14R0.392 CCOCCSCCCCCCCCO 62a_100000210147_100000033203 [2,0,0,0,0,0|2,0,0]=4 5386 B14R0.392 CCOCSCCCCCCCCCO 62a_100000739092_100009813782 [2,0,0,0,0,0|2,0,0]=4 5387 B14R0.392 CCOCSCCCCCCCCCO 62a_100009813782_100000739092 [2,0,0,0,0,0|2,0,0]=4 5388 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [2,0,0,0,0,0|1,0,0]=3 5389 B14R0.392 CCSCCCOCCCCCCCO 34a_100011216438_100000760002 [2,0,0,0,0,0|2,0,0]=4 5390 B14R0.392 CCSCCCOCCCCCCCO 7a_100011216438_100000760002 [2,0,0,0,0,0|2,0,0]=4 5391 B14R0.392 CCSCCNCCCCCCCCO 2230a_100000106463_100000033203 [2,0,0,0,0,0|2,0,0]=4 5392 B14R0.392 CCSCCNCCCCCCCCO 2230a_102515433106_100000757381 [2,0,0,0,0,0|2,0,0]=4 5393 B14R0.392 CCSCCNCCCCCCCCO 34a_102515433106_100000757381 [2,0,0,0,0,0|2,0,0]=4 5394 B14R0.392 CCSCCOCCCCCCCCO 34a_100000212035_100000033203 [2,0,0,0,0,0|2,0,0]=4 5395 B14R0.392 CCSCCOCCCCCCCCO 7a_100000212035_100000033203 [2,0,0,0,0,0|2,0,0]=4 5396 B14R0.392 CCSCCSCCCCCCCCO 62a_100000033203_100000757381 [2,0,0,0,0,0|2,0,0]=4 5397 B14R0.392 CCSCCSCCCCCCCCO 62a_100000757381_100000033203 [2,0,0,0,0,0|2,0,0]=4 5398 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [2,0,0,0,0,0|1,0,0]=3 5399 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [2,0,0,0,0,0|1,0,0]=3 5400 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [2,0,0,0,0,0|1,0,0]=3 5401 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [2,0,0,0,0,0|1,0,0]=3 5402 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [2,0,0,0,0,0|1,0,0]=3 5403 B14R0.392 CNCCCCCCOCCCCCO 2230a_106832991635_200132310570 [2,0,0,0,0,0|2,0,0]=4 5404 B14R0.392 CNCCCCCCOCCCCCO 34a_100102657272_200132310570 [2,0,0,0,0,0|2,0,0]=4 5405 B14R0.392 CNCCCCCCOCCCCCO 7a_106832991635_200132310570 [2,0,0,0,0,0|2,0,0]=4 5406 B14R0.392 CNCCCCCOCCCCCCO 34a_100000722520_100000766143 [2,0,0,0,0,0|2,0,0]=4 5407 B14R0.392 CNCCCOCCCCCCCCO 34a_100000213112_100000033203 [2,0,0,0,0,0|2,0,0]=4 5408 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5409 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5410 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [2,0,0,0,0,0|2,0,0]=4 5411 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [2,0,0,0,0,0|1,0,0]=3 5412 B14R0.392 COCCCCCCNCCCCCO 2230a_100000762737_100011998445 [2,0,0,0,0,0|2,0,0]=4 5413 B14R0.392 COCCCCCCNCCCCCO 34a_100000762737_100011998445 [2,0,0,0,0,0|2,0,0]=4 5414 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [2,0,0,0,0,0|2,0,0]=4 5415 B14R0.392 COCCCCCCOCCCCCO 34a_100138415774_200132310570 [2,0,0,0,0,0|2,0,0]=4 5416 B14R0.392 COCCCCCCOCCCCCO 34a_200012092642_100000746330 [2,0,0,0,0,0|2,0,0]=4 5417 B14R0.392 COCCCCCCOCCCCCO 7a_200012092642_100000746330 [2,0,0,0,0,0|2,0,0]=4 5418 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [2,0,0,0,0,0|2,0,0]=4 5419 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [2,0,0,0,0,0|2,0,0]=4 5420 B14R0.392 COCCCCCCSCCCCCO 62a_100000746330_100011998445 [2,0,0,0,0,0|2,0,0]=4 5421 B14R0.392 COCCCCCCSCCCCCO 62a_100011998445_100000746330 [2,0,0,0,0,0|2,0,0]=4 5422 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [2,0,0,0,0,0|2,0,0]=4 5423 B14R0.392 COCCCCCNCCCCCCO 2230a_100000747528_100000766143 [2,0,0,0,0,0|2,0,0]=4 5424 B14R0.392 COCCCCCNCCCCCCO 34a_100000747528_100000766143 [2,0,0,0,0,0|2,0,0]=4 5425 B14R0.392 COCCCCNCCCCCCCO 2230a_100011996573_100000730899 [2,0,0,0,0,0|2,0,0]=4 5426 B14R0.392 COCCCCNCCCCCCCO 34a_100011996573_100000755781 [2,0,0,0,0,0|2,0,0]=4 5427 B14R0.392 COCCCCOCCCCCCCO 34a_100000740925_100000760002 [2,0,0,0,0,0|2,0,0]=4 5428 B14R0.392 COCCCCSCCCCCCCO 62a_100000730899_100000760002 [2,0,0,0,0,0|2,0,0]=4 5429 B14R0.392 COCCCCSCCCCCCCO 62a_100000760002_100000730899 [2,0,0,0,0,0|2,0,0]=4 5430 B14R0.392 COCCCNCCCCCCCCO 2230a_102515433106_100000740836 [2,0,0,0,0,0|2,0,0]=4 5431 B14R0.392 COCCCNCCCCCCCCO 34a_100150723488_100000033203 [2,0,0,0,0,0|2,0,0]=4 5432 B14R0.392 COCCCNCCCCCCCCO 34a_102515433106_100000740836 [2,0,0,0,0,0|2,0,0]=4 5433 B14R0.392 COCCCOCCCCCCCCO 34a_100000740835_100000033203 [2,0,0,0,0,0|2,0,0]=4 5434 B14R0.392 COCCCSCCCCCCCCO 62a_100000033203_100000709357 [2,0,0,0,0,0|2,0,0]=4 5435 B14R0.392 COCCCSCCCCCCCCO 62a_100000709357_100000033203 [2,0,0,0,0,0|2,0,0]=4 5436 B14R0.392 COCCNCCCCCCCCCO 2230a_100000078944_100011201679 [2,0,0,0,0,0|2,0,0]=4 5437 B14R0.392 COCCNCCCCCCCCCO 2230a_100000209980_100009813782 [2,0,0,0,0,0|2,0,0]=4 5438 B14R0.392 COCCNCCCCCCCCCO 34a_100000078944_100011201679 [2,0,0,0,0,0|2,0,0]=4 5439 B14R0.392 COCCOCCCCCCCCCO 34a_100000210237_100009813782 [2,0,0,0,0,0|2,0,0]=4 5440 B14R0.392 COCCSCCCCCCCCCO 62a_100000233755_100009813782 [2,0,0,0,0,0|2,0,0]=4 5441 B14R0.392 COCCSCCCCCCCCCO 62a_100009813782_100000233755 [2,0,0,0,0,0|2,0,0]=4 5442 B14R0.392 COCNCCCCCCCCCCO 2230a_100000066964_100000766300 [2,0,0,0,0,0|2,0,0]=4 5443 B14R0.392 COCSCCCCCCCCCCO 62a_100000766300_200000033068 [2,0,0,0,0,0|2,0,0]=4 5444 B14R0.392 COCSCCCCCCCCCCO 62a_100009813290_100000766300 [2,0,0,0,0,0|2,0,0]=4 5445 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [2,0,0,0,0,0|1,0,0]=3 5446 B14R0.392 CSCCCCCCOCCCCCO 62a_200000210301_200132310570 [2,0,0,0,0,0|2,0,0]=4 5447 B14R0.392 CSCCCCCCOCCCCCO 62a_200132310570_200000210301 [2,0,0,0,0,0|2,0,0]=4 5448 B14R0.392 CSCCCCOCCCCCCCO 34a_100011217163_100000760002 [2,0,0,0,0,0|2,0,0]=4 5449 B14R0.392 CSCCCCOCCCCCCCO 7a_100011217163_100000760002 [2,0,0,0,0,0|2,0,0]=4 5450 B14R0.392 CSCCCNCCCCCCCCO 2230a_100000749238_100000033203 [2,0,0,0,0,0|2,0,0]=4 5451 B14R0.392 CSCCCOCCCCCCCCO 34a_100000690336_100000033203 [2,0,0,0,0,0|2,0,0]=4 5452 B14R0.392 CSCCCOCCCCCCCCO 7a_100000690336_100000033203 [2,0,0,0,0,0|2,0,0]=4 5453 B14R0.392 CSCCNCCCCCCCCCO 2230a_100000078944_100000751147 [2,0,0,0,0,0|2,0,0]=4 5454 B14R0.392 CSCCNCCCCCCCCCO 2230a_100020590264_100009813782 [2,0,0,0,0,0|2,0,0]=4 5455 B14R0.392 CSCCNCCCCCCCCCO 34a_100000078944_100000212216 [2,0,0,0,0,0|2,0,0]=4 5456 B14R0.392 CSCCOCCCCCCCCCO 34a_100000230434_100009813782 [2,0,0,0,0,0|2,0,0]=4 5457 B14R0.392 CSCCOCCCCCCCCCO 7a_100000230434_100009813782 [2,0,0,0,0,0|2,0,0]=4 5458 B14R0.392 CSCCSCCCCCCCCCO 62a_100000212216_100009813782 [2,0,0,0,0,0|2,0,0]=4 5459 B14R0.392 CSCCSCCCCCCCCCO 62a_100009813782_100000751147 [2,0,0,0,0,0|2,0,0]=4 5460 B14R0.392 CSCNCCCCCCCCCCO 2230a_100000066964_100011218213 [2,0,0,0,0,0|2,0,0]=4 5461 B14R0.392 CSCNCCCCCCCCCCO 34a_100000066964_100011218213 [2,0,0,0,0,0|2,0,0]=4 5462 B14R0.392 CSCSCCCCCCCCCCO 62a_100009813290_100011218213 [2,0,0,0,0,0|2,0,0]=4 5463 B14R0.392 CSCSCCCCCCCCCCO 62a_100011218213_200000033068 [2,0,0,0,0,0|2,0,0]=4 5464 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 5465 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [2,0,0,0,0,0|2,0,0]=4 5466 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [2,0,0,0,0,0|2,0,0]=4 5467 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [2,0,0,0,0,0|2,0,0]=4 5468 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [2,0,0,0,0,0|2,0,0]=4 5469 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [2,0,0,0,0,0|2,0,0]=4 5470 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [2,0,0,0,0,0|2,0,0]=4 5471 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [2,0,0,0,0,0|2,0,0]=4 5472 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [2,0,0,0,0,0|2,0,0]=4 5473 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [2,0,0,0,0,0|2,0,0]=4 5474 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [2,0,0,0,0,0|2,0,0]=4 5475 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [2,0,0,0,0,0|2,0,0]=4 5476 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 5477 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [2,0,0,0,0,0|2,0,0]=4 5478 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [2,0,0,0,0,0|2,0,0]=4 5479 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [2,0,0,0,0,0|2,0,0]=4 5480 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [2,0,0,0,0,0|2,0,0]=4 5481 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 5482 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [2,0,0,0,0,0|2,0,0]=4 5483 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 5484 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [2,0,0,0,0,0|2,0,0]=4 5485 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 5486 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [2,0,0,0,0,0|2,0,0]=4 5487 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [2,0,0,0,0,0|2,0,0]=4 5488 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 5489 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 5490 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [2,0,0,0,0,0|2,0,0]=4 5491 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [2,0,0,0,0,0|2,0,0]=4 5492 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 5493 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [2,0,0,0,0,0|2,0,0]=4 5494 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 5495 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [2,0,0,0,0,0|2,0,0]=4 5496 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [2,0,0,0,0,0|2,0,0]=4 5497 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 5498 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [2,0,0,0,0,0|2,0,0]=4 5499 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [2,0,0,0,0,0|2,0,0]=4 5500 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [2,0,0,0,0,0|2,0,0]=4 5501 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [2,0,0,0,0,0|2,0,0]=4 5502 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [2,0,0,0,0,0|2,0,0]=4 5503 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [2,0,0,0,0,0|2,0,0]=4 5504 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [2,0,0,0,0,0|2,0,0]=4 5505 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [2,0,0,0,0,0|2,0,0]=4 5506 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [2,0,0,0,0,0|2,0,0]=4 5507 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [2,0,0,0,0,0|2,0,0]=4 5508 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [2,0,0,0,0,0|2,0,0]=4 5509 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [2,0,0,0,0,0|2,0,0]=4 5510 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [2,0,0,0,0,0|2,0,0]=4 5511 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [2,0,0,0,0,0|2,0,0]=4 5512 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [2,0,0,0,0,0|2,0,0]=4 5513 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [2,0,0,0,0,0|2,0,0]=4 5514 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [2,0,0,0,0,0|2,0,0]=4 5515 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [2,0,0,0,0,0|2,0,0]=4 5516 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [2,0,0,0,0,0|2,0,0]=4 5517 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [2,0,0,0,0,0|2,0,0]=4 5518 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [2,0,0,0,0,0|2,0,0]=4 5519 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [2,0,0,0,0,0|2,0,0]=4 5520 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [2,0,0,0,0,0|2,0,0]=4 5521 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [2,0,0,0,0,0|2,0,0]=4 5522 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [2,0,0,0,0,0|2,0,0]=4 5523 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [2,0,0,0,0,0|2,0,0]=4 5524 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [2,0,0,0,0,0|2,0,0]=4 5525 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [2,0,0,0,0,0|2,0,0]=4 5526 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [2,0,0,0,0,0|2,0,0]=4 5527 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [2,0,0,0,0,0|2,0,0]=4 5528 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [2,0,0,0,0,0|2,0,0]=4 5529 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [2,0,0,0,0,0|2,0,0]=4 5530 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [2,0,0,0,0,0|2,0,0]=4 5531 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [2,0,0,0,0,0|2,0,0]=4 5532 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [2,0,0,0,0,0|2,0,0]=4 5533 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [2,0,0,0,0,0|2,0,0]=4 5534 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [2,0,0,0,0,0|2,0,0]=4 5535 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [2,0,0,0,0,0|2,0,0]=4 5536 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [2,0,0,0,0,0|2,0,0]=4 5537 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [2,0,0,0,0,0|2,0,0]=4 5538 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [2,0,0,0,0,0|2,0,0]=4 5539 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [2,0,0,0,0,0|2,0,0]=4 5540 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [2,0,0,0,0,0|2,0,0]=4 5541 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [2,0,0,0,0,0|2,0,0]=4 5542 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [2,0,0,0,0,0|2,0,0]=4 5543 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [2,0,0,0,0,0|2,0,0]=4 5544 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [2,0,0,0,0,0|2,0,0]=4 5545 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [2,0,0,0,0,0|2,0,0]=4 5546 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [2,0,0,0,0,0|2,0,0]=4 5547 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [2,0,0,0,0,0|2,0,0]=4 5548 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [2,0,0,0,0,0|2,0,0]=4 5549 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [2,0,0,0,0,0|2,0,0]=4 5550 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [2,0,0,0,0,0|2,0,0]=4 5551 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [2,0,0,0,0,0|2,0,0]=4 5552 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [2,0,0,0,0,0|2,0,0]=4 5553 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [2,0,0,0,0,0|2,0,0]=4 5554 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [2,0,0,0,0,0|2,0,0]=4 5555 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [2,0,0,0,0,0|2,0,0]=4 5556 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [2,0,0,0,0,0|2,0,0]=4 5557 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [2,0,0,0,0,0|2,0,0]=4 5558 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [2,0,0,0,0,0|2,0,0]=4 5559 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [2,0,0,0,0,0|2,0,0]=4 5560 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [2,0,0,0,0,0|2,0,0]=4 5561 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [2,0,0,0,0,0|2,0,0]=4 5562 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [2,0,0,0,0,0|2,0,0]=4 5563 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [2,0,0,0,0,0|2,0,0]=4 5564 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [2,0,0,0,0,0|2,0,0]=4 5565 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [2,0,0,0,0,0|2,0,0]=4 5566 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [2,0,0,0,0,0|2,0,0]=4 5567 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [2,0,0,0,0,0|2,0,0]=4 5568 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [2,0,0,0,0,0|2,0,0]=4 5569 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [2,0,0,0,0,0|2,0,0]=4 5570 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [2,0,0,0,0,0|2,0,0]=4 5571 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [2,0,0,0,0,0|2,0,0]=4 5572 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [2,0,0,0,0,0|2,0,0]=4 5573 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [2,0,0,0,0,0|2,0,0]=4 5574 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [2,0,0,0,0,0|2,0,0]=4 5575 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [2,0,0,0,0,0|2,0,0]=4 5576 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [2,0,0,0,0,0|2,0,0]=4 5577 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [2,0,0,0,0,0|2,0,0]=4 5578 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [2,0,0,0,0,0|2,0,0]=4 5579 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [2,0,0,0,0,0|2,0,0]=4 5580 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [2,0,0,0,0,0|2,0,0]=4 5581 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [2,0,0,0,0,0|2,0,0]=4 5582 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [2,0,0,0,0,0|2,0,0]=4 5583 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [2,0,0,0,0,0|2,0,0]=4 5584 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [2,0,0,0,0,0|1,0,0]=3 5585 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [2,0,0,0,0,0|1,0,0]=3 5586 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5587 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5588 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [2,0,0,0,0,0|2,0,0]=4 5589 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [2,0,0,0,0,0|1,0,0]=3 5590 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200025704644_200132310570 [2,0,0,0,0,0|2,0,0]=4 5591 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200132310570_200025704644 [2,0,0,0,0,0|2,0,0]=4 5592 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [2,0,0,0,0,0|2,0,0]=4 5593 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [2,0,0,0,0,0|1,0,0]=3 5594 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [2,0,0,0,0,0|1,0,0]=3 5595 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [2,0,0,0,0,0|1,0,0]=3 5596 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 5597 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 5598 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 5599 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [2,0,0,0,0,0|2,0,0]=4 5600 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [2,0,0,0,0,0|2,0,0]=4 5601 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [2,0,0,0,0,0|2,0,0]=4 5602 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [2,0,0,0,0,0|2,0,0]=4 5603 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [2,0,0,0,0,0|1,0,0]=3 5604 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [2,0,0,0,0,0|1,0,1]=4 5605 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [2,0,0,0,0,0|2,0,0]=4 5606 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [2,0,0,0,0,0|2,0,0]=4 5607 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [2,0,0,0,0,0|2,0,0]=4 5608 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [2,0,0,0,0,0|1,0,1]=4 5609 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [2,0,0,0,0,0|2,0,0]=4 5610 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [2,0,0,0,0,0|1,0,1]=4 5611 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [2,0,0,0,0,0|2,0,0]=4 5612 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [2,0,0,0,0,0|2,0,0]=4 5613 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [2,0,0,0,0,0|2,0,0]=4 5614 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [2,0,0,0,0,0|2,0,0]=4 5615 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [2,0,0,0,0,0|2,0,0]=4 5616 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [2,0,0,0,0,0|2,0,0]=4 5617 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [2,0,0,0,0,0|2,0,0]=4 5618 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [2,0,0,0,0,0|2,0,0]=4 5619 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [2,0,0,0,0,0|2,0,0]=4 5620 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [2,0,0,0,0,0|2,0,0]=4 5621 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [2,0,0,0,0,0|2,0,0]=4 5622 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [2,0,0,0,0,0|2,0,0]=4 5623 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [2,0,0,0,0,0|2,0,0]=4 5624 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [2,0,0,0,0,0|2,0,0]=4 5625 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [2,0,0,0,0,0|2,0,0]=4 5626 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [2,0,0,0,0,0|2,0,0]=4 5627 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [2,0,0,0,0,0|2,0,0]=4 5628 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [2,0,0,0,0,0|2,0,0]=4 5629 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [2,0,0,0,0,0|2,0,0]=4 5630 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [2,0,0,0,0,0|2,0,0]=4 5631 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [2,0,0,0,0,0|2,0,0]=4 5632 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [2,0,0,0,0,0|2,0,0]=4 5633 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [2,0,0,0,0,0|2,0,0]=4 5634 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [2,0,0,0,0,0|2,0,0]=4 5635 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [2,0,0,0,0,0|2,0,0]=4 5636 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [2,0,0,0,0,0|2,0,0]=4 5637 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [2,0,0,0,0,0|2,0,0]=4 5638 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [2,0,0,0,0,0|2,0,0]=4 5639 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [2,0,0,0,0,0|2,0,0]=4 5640 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [2,0,0,0,0,0|2,0,0]=4 5641 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [2,0,0,0,0,0|2,0,0]=4 5642 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [2,0,0,0,0,0|2,0,0]=4 5643 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [2,0,0,0,0,0|2,0,0]=4 5644 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [2,0,0,0,0,0|2,0,0]=4 5645 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [2,0,0,0,0,0|2,0,0]=4 5646 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [2,0,0,0,0,0|2,0,0]=4 5647 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [2,0,0,0,0,0|2,0,0]=4 5648 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [2,0,0,0,0,0|2,0,0]=4 5649 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [2,0,0,0,0,0|1,0,1]=4 5650 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [2,0,0,0,0,0|2,0,0]=4 5651 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [2,0,0,0,0,0|2,0,0]=4 5652 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [2,0,0,0,0,0|2,0,0]=4 5653 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [2,0,0,0,0,0|2,0,0]=4 5654 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [2,0,0,0,0,0|2,0,0]=4 5655 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [2,0,0,0,0,0|2,0,0]=4 5656 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [2,0,0,0,0,0|2,0,0]=4 5657 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [2,0,0,0,0,0|2,0,0]=4 5658 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [2,0,0,0,0,0|2,0,0]=4 5659 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [2,0,0,0,0,0|2,0,0]=4 5660 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [2,0,0,0,0,0|2,0,0]=4 5661 B16R0.61 C=CCC(=O)CCCCCCCCCCCC 1458a_100000210193_100000759014 [1,1,0,0,0,0|1,0,1]=4 5662 B16R0.61 C=CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000210623 [1,1,0,0,0,0|1,0,1]=4 5663 B16R0.61 C=CCC(C)COCCCCCCCCCC 34a_100009832082_100000210320 [1,1,0,0,0,0|2,0,0]=4 5664 B16R0.61 C=CCC(C)COCCCCCCCCCC 7a_100009832082_100000210320 [1,1,0,0,0,0|2,0,0]=4 5665 B16R0.61 C=CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011093070 [1,1,0,0,0,0|1,0,1]=4 5666 B16R0.61 C=CCCCCCCCCCCN(C)CCC 2230a_100000747261_100011093070 [1,1,0,0,0,0|2,0,0]=4 5667 B16R0.61 C=CCCCCCCCCCCN(C)CCC 269982a_100000747261_100011093070 [1,1,0,0,0,0|2,0,0]=4 5668 B16R0.61 C=CCCCCCCCCCNC(C)CCC 2230a_100000081888_100000766640 [1,1,0,0,0,0|2,0,0]=4 5669 B16R0.61 C=CCCCCCCCCCNC(C)CCC 2230a_100000741246_100009814027 [1,1,0,0,0,0|2,0,0]=4 5670 B16R0.61 C=CCCCCCCCCCNC(C)CCC 270004a_100000081888_100000211909 [1,1,0,0,0,0|2,0,0]=4 5671 B16R0.61 C=CCCCCCCCCCNC(C)CCC 34a_100000081888_100000766640 [1,1,0,0,0,0|2,0,0]=4 5672 B16R0.61 C=CCCCCCCCCCOC(C)CCC 34a_100000038209_100000766640 [1,1,0,0,0,0|2,0,0]=4 5673 B16R0.61 C=CCCCCCCCCCOC(C)CCC 34a_100000764384_100009814027 [1,1,0,0,0,0|2,0,0]=4 5674 B16R0.61 C=CCCCCCCCCCOC(C)CCC 7a_100000038209_100000766640 [1,1,0,0,0,0|2,0,0]=4 5675 B16R0.61 C=CCCCCCCCCCOC(C)CCC 7a_100000764384_100009814027 [1,1,0,0,0,0|2,0,0]=4 5676 B16R0.61 C=CCCCCCCCCOCC(C)CCC 34a_100000688023_100011933949 [1,1,0,0,0,0|2,0,0]=4 5677 B16R0.61 C=CCCCCCCCCOCC(C)CCC 34a_100011215194_100011216630 [1,1,0,0,0,0|2,0,0]=4 5678 B16R0.61 C=CCCCCCCCCOCC(C)CCC 7a_100000688023_100011933949 [1,1,0,0,0,0|2,0,0]=4 5679 B16R0.61 C=CCCCCCCCCOCC(C)CCC 7a_100011215194_100011216630 [1,1,0,0,0,0|2,0,0]=4 5680 B16R0.61 C=CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011933949 [1,1,0,0,0,0|2,0,0]=4 5681 B16R0.61 C=CCCCCCCCOCCC(C)CCC 34a_100011217855_100012355270 [1,1,0,0,0,0|2,0,0]=4 5682 B16R0.61 C=CCCCCCCCOCCC(C)CCC 7a_100011217855_100012355270 [1,1,0,0,0,0|2,0,0]=4 5683 B16R0.61 C=CCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100012355270 [1,1,0,0,0,0|2,0,0]=4 5684 B16R0.61 C=CCCCCCCOCCCC(C)CCC 34a_100011713154_100011215473 [1,1,0,0,0,0|2,0,0]=4 5685 B16R0.61 C=CCCCCCCOCCCC(C)CCC 7a_100011713154_100011215473 [1,1,0,0,0,0|2,0,0]=4 5686 B16R0.61 C=CCN(C)CCCCCCCCCCCC 2230a_100000225617_100011215052 [1,1,0,0,0,0|2,0,0]=4 5687 B16R0.61 C=CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000210623 [1,1,0,0,0,0|2,0,0]=4 5688 B16R0.61 C=CCN(C)CCCCCCCCCCCC 269982a_100000225617_100000759014 [1,1,0,0,0,0|2,0,0]=4 5689 B16R0.61 C=CCN(C)CCCCCCCCCCCC 269982a_100000227908_100000210623 [1,1,0,0,0,0|2,0,0]=4 5690 B16R0.61 C=CCN(C)CCCCCCCCCCCC 270004a_100000225617_100011218549 [1,1,0,0,0,0|2,0,0]=4 5691 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCC 34a_100000731007_100011215454 [1,1,0,0,0,0|2,0,0]=4 5692 B16R0.61 C=CC[C@@H](C)OCCCCCCCCCCC 7a_100000731007_100011215454 [1,1,0,0,0,0|2,0,0]=4 5693 B16R0.61 C=CC[C@@H](N)COCCCCCCCCCC 34a_100020615467_100000210320 [1,1,0,0,0,0|2,0,0]=4 5694 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [1,1,0,0,0,0|0,0,2]=4 5695 B16R0.61 CCCC(C)CCCOCCCCCCCO 34a_100011713154_100000760002 [1,1,0,0,0,0|1,0,1]=4 5696 B16R0.61 CCCC(C)CCCOCCCCCCCO 7a_100011713154_100000760002 [1,1,0,0,0,0|1,0,1]=4 5697 B16R0.61 CCCC(C)CCOCCCCCCCCO 34a_100011217855_100000033203 [1,1,0,0,0,0|1,0,1]=4 5698 B16R0.61 CCCC(C)CCOCCCCCCCCO 7a_100011217855_100000033203 [1,1,0,0,0,0|1,0,1]=4 5699 B16R0.61 CCCC(C)CNCCCCCCCCCO 2230a_100000078944_100011216630 [1,1,0,0,0,0|1,0,1]=4 5700 B16R0.61 CCCC(C)CNCCCCCCCCCO 270004a_100000078944_100000243154 [1,1,0,0,0,0|1,0,1]=4 5701 B16R0.61 CCCC(C)CNCCCCCCCCCO 34a_100000078944_100011216630 [1,1,0,0,0,0|1,0,1]=4 5702 B16R0.61 CCCC(C)COCCCCCCCCCO 34a_100000688023_100009813782 [1,1,0,0,0,0|1,0,1]=4 5703 B16R0.61 CCCC(C)COCCCCCCCCCO 7a_100000688023_100009813782 [1,1,0,0,0,0|1,0,1]=4 5704 B16R0.61 CCCC(C)CSCCCCCCCCCO 62a_100009813782_100011216630 [1,1,0,0,0,0|1,0,1]=4 5705 B16R0.61 CCCC(C)CSCCCCCCCCCO 62a_100011216630_100009813782 [1,1,0,0,0,0|1,0,1]=4 5706 B16R0.61 CCCC(C)NCCCCCCCCCCO 2230a_100000066964_100000766640 [1,1,0,0,0,0|1,0,1]=4 5707 B16R0.61 CCCC(C)NCCCCCCCCCCO 2230a_100000741246_100009813290 [1,1,0,0,0,0|1,0,1]=4 5708 B16R0.61 CCCC(C)NCCCCCCCCCCO 270004a_100000066964_100000211909 [1,1,0,0,0,0|1,0,1]=4 5709 B16R0.61 CCCC(C)NCCCCCCCCCCO 34a_100000066964_100000766640 [1,1,0,0,0,0|1,0,1]=4 5710 B16R0.61 CCCC(C)OCCCCCCCCCCO 34a_100000764384_100009813290 [1,1,0,0,0,0|1,0,1]=4 5711 B16R0.61 CCCC(C)OCCCCCCCCCCO 7a_100000764384_100009813290 [1,1,0,0,0,0|1,0,1]=4 5712 B16R0.61 CCCC(C)SCCCCCCCCCCO 62a_100000766640_200000033068 [1,1,0,0,0,0|1,0,1]=4 5713 B16R0.61 CCCC(C)SCCCCCCCCCCO 62a_100009813290_100000766640 [1,1,0,0,0,0|1,0,1]=4 5714 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [1,1,0,0,0,0|0,0,2]=4 5715 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [1,1,0,0,0,0|0,0,2]=4 5716 B16R0.61 CCCCCCCCCCCCC(C)COC 34a_100000724949_200000210301 [1,1,0,0,0,0|2,0,0]=4 5717 B16R0.61 CCCCCCCCCCCCC(C)COC 7a_100000724949_200000210301 [1,1,0,0,0,0|2,0,0]=4 5718 B16R0.61 CCCCCCCCCCCCC(C)CO[13CH3] 34a_100000724949_200025704644 [1,1,0,0,0,0|2,0,0]=4 5719 B16R0.61 CCCCCCCCCCCCC(C)CO[13CH3] 7a_100000724949_200025704644 [1,1,0,0,0,0|2,0,0]=4 5720 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [1,1,0,0,0,0|1,0,0]=3 5721 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [1,1,0,0,0,0|1,0,0]=3 5722 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215052 [1,1,0,0,0,0|1,0,1]=4 5723 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000227908_100000211926 [1,1,0,0,0,0|1,0,1]=4 5724 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000210263_100000759014 [1,1,0,0,0,0|1,0,1]=4 5725 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000227908_100000211926 [1,1,0,0,0,0|1,0,1]=4 5726 B16R0.61 CCCCCCCCCCCCN(C)CCO 270004a_100000210263_100011218549 [1,1,0,0,0,0|1,0,1]=4 5727 B16R0.61 CCCCCCCCCCCNC(C)CCO 2230a_200011215754_100009893172 [1,1,0,0,0,0|1,0,1]=4 5728 B16R0.61 CCCCCCCCCCCNC(C)CCO 34a_200011215754_100009893172 [1,1,0,0,0,0|1,0,1]=4 5729 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 5730 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 5731 B16R0.61 CCCCCCCCCCCOC(C)CCO 34a_100000210809_100009893172 [1,1,0,0,0,0|1,0,1]=4 5732 B16R0.61 CCCCCCCCCCCOC(C)CCO 7a_100000210809_100009893172 [1,1,0,0,0,0|1,0,1]=4 5733 B16R0.61 CCCCCCCCCCCSC(C)CCO 62a_100009893172_100011215454 [1,1,0,0,0,0|1,0,1]=4 5734 B16R0.61 CCCN(C)CCCCCCCCCCCO 2230a_100000747261_100009812471 [1,1,0,0,0,0|1,0,1]=4 5735 B16R0.61 CCCN(C)CCCCCCCCCCCO 269982a_100000747261_100009812471 [1,1,0,0,0,0|1,0,1]=4 5736 B16R0.61 CCC[C@H](N)CCOCCCCCCCCO 34a_100015193777_100000033203 [1,1,0,0,0,0|1,0,1]=4 5737 B16R0.61 CCC[C@H](N)COCCCCCCCCCO 34a_100000732646_100009813782 [1,1,0,0,0,0|1,0,1]=4 5738 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000210375_100000757094 [1,1,0,0,0,0|1,0,1]=4 5739 B16R0.68 C=CCCCC(=O)CCCCCCCCCC 1458a_100000766728_100000210319 [1,1,0,0,0,0|1,0,1]=4 5740 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000211349_100000210326 [1,1,0,0,0,0|1,0,1]=4 5741 B16R0.68 C=CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100011933949 [1,1,0,0,0,0|1,0,1]=4 5742 B16R0.68 C=CCCCCCCCCN(C)CCCCC 2230a_100000223495_100011933949 [1,1,0,0,0,0|2,0,0]=4 5743 B16R0.68 C=CCCCCCCCCN(C)CCCCC 269982a_100000223495_100011933949 [1,1,0,0,0,0|2,0,0]=4 5744 B16R0.68 C=CCCCCCCCNC(C)CCCCC 2230a_100000211957_100012355270 [1,1,0,0,0,0|2,0,0]=4 5745 B16R0.68 C=CCCCCCCCOC(C)CCCCC 34a_100000730831_200011218191 [1,1,0,0,0,0|2,0,0]=4 5746 B16R0.68 C=CCCCCCCCOC(C)CCCCC 34a_100011215632_100012355270 [1,1,0,0,0,0|2,0,0]=4 5747 B16R0.68 C=CCCCCCCCOC(C)CCCCC 7a_100000730831_200011218191 [1,1,0,0,0,0|2,0,0]=4 5748 B16R0.68 C=CCCCCCCCOC(C)CCCCC 7a_100011215632_100012355270 [1,1,0,0,0,0|2,0,0]=4 5749 B16R0.68 C=CCCCN(C)CCCCCCCCCC 2230a_100000207566_100011713584 [1,1,0,0,0,0|2,0,0]=4 5750 B16R0.68 C=CCCCN(C)CCCCCCCCCC 269982a_100000207566_100000757094 [1,1,0,0,0,0|2,0,0]=4 5751 B16R0.68 C=CCCNC(C)CCCCCCCCCC 270004a_100015191253_200011219864 [1,1,0,0,0,0|2,0,0]=4 5752 B16R0.68 C=CCCOC(C)CCCCCCCCCC 34a_100011215000_100000754431 [1,1,0,0,0,0|2,0,0]=4 5753 B16R0.68 C=CCCOC(C)CCCCCCCCCC 7a_100011215000_100000754431 [1,1,0,0,0,0|2,0,0]=4 5754 B16R0.68 CCCCCC(=O)CCCCCCCCCO 1458a_100000212188_100009813782 [1,1,0,0,0,0|0,0,2]=4 5755 B16R0.68 CCCCCC(C)NCCCCCCCCO 2230a_100000211957_100000033203 [1,1,0,0,0,0|1,0,1]=4 5756 B16R0.68 CCCCCC(C)NCCCCCCCCO 2230a_102515433106_200011218191 [1,1,0,0,0,0|1,0,1]=4 5757 B16R0.68 CCCCCC(C)NCCCCCCCCO 270004a_102515433106_100000211708 [1,1,0,0,0,0|1,0,1]=4 5758 B16R0.68 CCCCCC(C)NCCCCCCCCO 34a_102515433106_200011218191 [1,1,0,0,0,0|1,0,1]=4 5759 B16R0.68 CCCCCC(C)OCCCCCCCCO 34a_100011215632_100000033203 [1,1,0,0,0,0|1,0,1]=4 5760 B16R0.68 CCCCCC(C)OCCCCCCCCO 7a_100011215632_100000033203 [1,1,0,0,0,0|1,0,1]=4 5761 B16R0.68 CCCCCC(C)SCCCCCCCCO 62a_100000033203_200011218191 [1,1,0,0,0,0|1,0,1]=4 5762 B16R0.68 CCCCCC(C)SCCCCCCCCO 62a_200011218191_100000033203 [1,1,0,0,0,0|1,0,1]=4 5763 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [1,1,0,0,0,0|0,0,2]=4 5764 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [1,1,0,0,0,0|0,0,2]=4 5765 B16R0.68 CCCCCCCCCCC(C)NCCCO 270004a_100000182051_200011219864 [1,1,0,0,0,0|1,0,1]=4 5766 B16R0.68 CCCCCCCCCCC(C)OCCCO 34a_100011215000_100000230001 [1,1,0,0,0,0|1,0,1]=4 5767 B16R0.68 CCCCCCCCCCC(C)OCCCO 7a_100011215000_100011215043 [1,1,0,0,0,0|1,0,1]=4 5768 B16R0.68 CCCCCCCCCCN(C)CCCC=O 2230a_100000207566_200011292268 [1,1,0,0,0,0|1,0,0]=3 5769 B16R0.68 CCCCCCCCCCN(C)CCCC=O 269982a_100000207566_200011292268 [1,1,0,0,0,0|1,0,0]=3 5770 B16R0.68 CCCCCCCCCCN(C)CCCCO 2230a_100000207566_100000210776 [1,1,0,0,0,0|1,0,1]=4 5771 B16R0.68 CCCCCCCCCCN(C)CCCCO 2230a_100000717598_100000210320 [1,1,0,0,0,0|1,0,1]=4 5772 B16R0.68 CCCCCCCCCCN(C)CCCCO 269982a_100000207566_100000210776 [1,1,0,0,0,0|1,0,1]=4 5773 B16R0.68 CCCCCCCCCCN(C)CCCCO 269982a_100000717598_100000210320 [1,1,0,0,0,0|1,0,1]=4 5774 B16R0.68 CCCCCN(C)CCCCCCCCCO 2230a_100000223495_100009813782 [1,1,0,0,0,0|1,0,1]=4 5775 B16R0.68 CCCCCN(C)CCCCCCCCCO 269982a_100000223495_100009813782 [1,1,0,0,0,0|1,0,1]=4 5776 B16R0.136 C=CCCCCCC(=O)CCCCCCCC 1458a_100000210188_100000700193 [1,1,0,0,0,0|1,0,1]=4 5777 B16R0.136 C=CCCCCCC(=O)CCCCCCCC 1458a_100011934241_100000210759 [1,1,0,0,0,0|1,0,1]=4 5778 B16R0.136 C=CCCCCCCC(=O)CCCCCCC 1458a_100000211969_100011215473 [1,1,0,0,0,0|1,0,1]=4 5779 B16R0.136 C=CCCCCCCC(=O)CCCCCCC 1458a_100011809334_100000210614 [1,1,0,0,0,0|1,0,1]=4 5780 B16R0.136 C=CCCCCCCN(C)CCCCCCC 2230a_100000228206_100011215473 [1,1,0,0,0,0|2,0,0]=4 5781 B16R0.136 C=CCCCCCCN(C)CCCCCCC 269982a_100000228206_100011215473 [1,1,0,0,0,0|2,0,0]=4 5782 B16R0.136 C=CCCCCCN(C)CCCCCCCC 2230a_100000207567_100000700193 [1,1,0,0,0,0|2,0,0]=4 5783 B16R0.136 C=CCCCCCN(C)CCCCCCCC 269982a_100000207567_100000700193 [1,1,0,0,0,0|2,0,0]=4 5784 B16R0.136 C=CCCCCCOC(C)CCCCCCC 34a_100011216702_200011218727 [1,1,0,0,0,0|2,0,0]=4 5785 B16R0.136 C=CCCCCCOC(C)CCCCCCC 34a_200011215852_100000700193 [1,1,0,0,0,0|2,0,0]=4 5786 B16R0.136 C=CCCCCCOC(C)CCCCCCC 7a_100011216702_200011218727 [1,1,0,0,0,0|2,0,0]=4 5787 B16R0.136 C=CCCCCCOC(C)CCCCCCC 7a_200011215852_100000700193 [1,1,0,0,0,0|2,0,0]=4 5788 B16R0.136 C=CCCCCNC(C)CCCCCCCC 270004a_100000703577_100011216694 [1,1,0,0,0,0|2,0,0]=4 5789 B16R0.136 C=CCCCCOC(C)CCCCCCCC 34a_100000210740_100011215482 [1,1,0,0,0,0|2,0,0]=4 5790 B16R0.136 C=CCCCCOC(C)CCCCCCCC 7a_100000210740_100011215482 [1,1,0,0,0,0|2,0,0]=4 5791 B16R0.136 C=CCCCNCC(C)CCCCCCCC 270004a_100000700776_100011995885 [1,1,0,0,0,0|2,0,0]=4 5792 B16R0.136 C=CCCCOCC(C)CCCCCCCC 34a_200012125181_100000757094 [1,1,0,0,0,0|2,0,0]=4 5793 B16R0.136 C=CCCCOCC(C)CCCCCCCC 7a_200012125181_100000757094 [1,1,0,0,0,0|2,0,0]=4 5794 B16R0.136 CCCCCCCC(=O)CCCCCCCO 1458a_100000211969_100000760002 [1,1,0,0,0,0|0,0,2]=4 5795 B16R0.136 CCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210614 [1,1,0,0,0,0|0,0,2]=4 5796 B16R0.136 CCCCCCCC(C)NCCCCCCO 2230a_100000686447_200011218727 [1,1,0,0,0,0|1,0,1]=4 5797 B16R0.136 CCCCCCCC(C)NCCCCCCO 270004a_100000686447_100000210596 [1,1,0,0,0,0|1,0,1]=4 5798 B16R0.136 CCCCCCCC(C)NCCCCCCO 34a_100000686447_200011218727 [1,1,0,0,0,0|1,0,1]=4 5799 B16R0.136 CCCCCCCC(C)OCCCCCC=O 7a_200011215852_100000139337 [1,1,0,0,0,0|1,0,0]=3 5800 B16R0.136 CCCCCCCC(C)OCCCCCCO 34a_200011215852_100000766143 [1,1,0,0,0,0|1,0,1]=4 5801 B16R0.136 CCCCCCCC(C)OCCCCCCO 7a_200011215852_100000766143 [1,1,0,0,0,0|1,0,1]=4 5802 B16R0.136 CCCCCCCC(C)SCCCCCC=O 62a_100000139337_200011218727 [1,1,0,0,0,0|1,0,0]=3 5803 B16R0.136 CCCCCCCC(C)SCCCCCC=O 62a_200011218727_100000139337 [1,1,0,0,0,0|1,0,0]=3 5804 B16R0.136 CCCCCCCC(C)SCCCCCCO 62a_100000766143_200011218727 [1,1,0,0,0,0|1,0,1]=4 5805 B16R0.136 CCCCCCCC(C)SCCCCCCO 62a_200011218727_100000766143 [1,1,0,0,0,0|1,0,1]=4 5806 B16R0.136 CCCCCCCCC(=O)CCCCCCO 1458a_100000210188_100000766143 [1,1,0,0,0,0|0,0,2]=4 5807 B16R0.136 CCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210759 [1,1,0,0,0,0|0,0,2]=4 5808 B16R0.136 CCCCCCCCC(C)CNCCCCO 270004a_100000750430_100011995885 [1,1,0,0,0,0|1,0,1]=4 5809 B16R0.136 CCCCCCCCC(C)COCCCC=O 7a_200012125181_200011292268 [1,1,0,0,0,0|1,0,0]=3 5810 B16R0.136 CCCCCCCCC(C)COCCCCO 34a_200012125181_100011216708 [1,1,0,0,0,0|1,0,1]=4 5811 B16R0.136 CCCCCCCCC(C)COCCCCO 7a_200012125181_100000210776 [1,1,0,0,0,0|1,0,1]=4 5812 B16R0.136 CCCCCCCCC(C)NCCCCCO 270004a_100000762737_100011216694 [1,1,0,0,0,0|1,0,1]=4 5813 B16R0.136 CCCCCCCCC(C)OCCCCC=O 7a_100000210740_100000139335 [1,1,0,0,0,0|1,0,0]=3 5814 B16R0.136 CCCCCCCCC(C)OCCCCCO 34a_100000210740_100000746330 [1,1,0,0,0,0|1,0,1]=4 5815 B16R0.136 CCCCCCCCC(C)OCCCCCO 7a_100000210740_100000746330 [1,1,0,0,0,0|1,0,1]=4 5816 B16R0.136 CCCCCCCCN(C)CCCCCC=O 2230a_100000207567_100000139337 [1,1,0,0,0,0|1,0,0]=3 5817 B16R0.136 CCCCCCCCN(C)CCCCCC=O 269982a_100000207567_100000139337 [1,1,0,0,0,0|1,0,0]=3 5818 B16R0.136 CCCCCCCCN(C)CCCCCCO 2230a_100000207567_100000766143 [1,1,0,0,0,0|1,0,1]=4 5819 B16R0.136 CCCCCCCCN(C)CCCCCCO 269982a_100000207567_100000766143 [1,1,0,0,0,0|1,0,1]=4 5820 B16R0.136 CCCCCCCN(C)CCCCCCCO 2230a_100000228206_100000760002 [1,1,0,0,0,0|1,0,1]=4 5821 B16R0.136 CCCCCCCN(C)CCCCCCCO 269982a_100000228206_100000760002 [1,1,0,0,0,0|1,0,1]=4 5822 B16R0.221 C=CC(=O)CCCCCCCCCCCCC 1458a_100000185746_100000210684 [1,1,0,0,0,0|1,0,1]=4 5823 B16R0.221 C=CC(C)COCCCCCCCCCCC 34a_100011215527_100011215454 [1,1,0,0,0,0|2,0,0]=4 5824 B16R0.221 C=CC(C)COCCCCCCCCCCC 7a_100011215527_100011215454 [1,1,0,0,0,0|2,0,0]=4 5825 B16R0.221 C=CC(C)OCCCCCCCCCCCC 34a_100000695699_100000759014 [1,1,0,0,0,0|2,0,0]=4 5826 B16R0.221 C=CC(O)CNCCCCCCCCCCC 2230a_200011215754_100000730141 [1,1,0,0,0,0|2,0,0]=4 5827 B16R0.221 C=CC(O)CNCCCCCCCCCCC 34a_200011215754_100000730141 [1,1,0,0,0,0|2,0,0]=4 5828 B16R0.221 C=CC(O)COCCCCCCCCCCC 34a_100000210809_100000730141 [1,1,0,0,0,0|2,0,0]=4 5829 B16R0.221 C=CC(O)COCCCCCCCCCCC 7a_100000210809_100000730141 [1,1,0,0,0,0|2,0,0]=4 5830 B16R0.221 C=CC(O)CSCCCCCCCCCCC 62a_100000730141_100011215454 [1,1,0,0,0,0|2,0,0]=4 5831 B16R0.221 C=CCCCCCCCCCCCC(=O)CC 1458a_100000210414_102130925996 [1,1,0,0,0,0|1,0,1]=4 5832 B16R0.221 C=CCCCCCCCCCCCN(C)CC 2230a_100000225621_102130925996 [1,1,0,0,0,0|2,0,0]=4 5833 B16R0.221 C=CCCCCCCCCCCCN(C)CC 269982a_100000225621_102130925996 [1,1,0,0,0,0|2,0,0]=4 5834 B16R0.221 C=CCCCCCCCCCCNC(C)CC 2230a_100000209981_100011093070 [1,1,0,0,0,0|2,0,0]=4 5835 B16R0.221 C=CCCCCCCCCCCOC(C)CC 7a_100000210228_100011093070 [1,1,0,0,0,0|2,0,0]=4 5836 B16R0.221 C=CCCCCCCCCCNCC(C)CC 2230a_100000081888_100000748023 [1,1,0,0,0,0|2,0,0]=4 5837 B16R0.221 C=CCCCCCCCCCNCC(C)CC 2230a_100020588543_100009814027 [1,1,0,0,0,0|2,0,0]=4 5838 B16R0.221 C=CCCCCCCCCCNCC(C)CC 270004a_100000081888_100000243153 [1,1,0,0,0,0|2,0,0]=4 5839 B16R0.221 C=CCCCCCCCCCNCC(C)CC 34a_100000081888_100000748023 [1,1,0,0,0,0|2,0,0]=4 5840 B16R0.221 C=CCCCCCCCCCNCC(O)CC 2230a_100000081888_100011218378 [1,1,0,0,0,0|2,0,0]=4 5841 B16R0.221 C=CCCCCCCCCCNCC(O)CC 2230a_100011218483_100009814027 [1,1,0,0,0,0|2,0,0]=4 5842 B16R0.221 C=CCCCCCCCCCNCC(O)CC 34a_100000081888_100011218378 [1,1,0,0,0,0|2,0,0]=4 5843 B16R0.221 C=CCCCCCCCCCNC[C@@H](C)CC 2230a_100000081888_100009816398 [1,1,0,0,0,0|2,0,0]=4 5844 B16R0.221 C=CCCCCCCCCCNC[C@@H](C)CC 34a_100000081888_100009816398 [1,1,0,0,0,0|2,0,0]=4 5845 B16R0.221 C=CCCCCCCCCCOCC(C)CC 34a_100000038209_100000748023 [1,1,0,0,0,0|2,0,0]=4 5846 B16R0.221 C=CCCCCCCCCCOCC(C)CC 7a_100000038209_100000748023 [1,1,0,0,0,0|2,0,0]=4 5847 B16R0.221 C=CCCCCCCCCCOCC(O)CC 34a_100000038209_100011218378 [1,1,0,0,0,0|2,0,0]=4 5848 B16R0.221 C=CCCCCCCCCCOCC(O)CC 7a_100000038209_100011218378 [1,1,0,0,0,0|2,0,0]=4 5849 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 34a_100000038209_100009816398 [1,1,0,0,0,0|2,0,0]=4 5850 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 7a_100000038209_100009816398 [1,1,0,0,0,0|2,0,0]=4 5851 B16R0.221 C=CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100009814027 [1,1,0,0,0,0|2,0,0]=4 5852 B16R0.221 C=CCCCCCCCCCSCC(O)CC 62a_100009814027_100011218378 [1,1,0,0,0,0|2,0,0]=4 5853 B16R0.221 C=CCCCCCCCCCSCC(O)CC 62a_100011218378_100009814027 [1,1,0,0,0,0|2,0,0]=4 5854 B16R0.221 C=CCCCCCCCCNCCC(C)CC 2230a_100020591266_100011933949 [1,1,0,0,0,0|2,0,0]=4 5855 B16R0.221 C=CCCCCCCCCOCCC(C)CC 7a_100011215188_100011933949 [1,1,0,0,0,0|2,0,0]=4 5856 B16R0.221 C=CCCCCCCCOCCCC(C)CC 7a_100011216074_100012355270 [1,1,0,0,0,0|2,0,0]=4 5857 B16R0.221 C=CCCCCCOCCCCCC(C)CC 7a_200000035636_100000700193 [1,1,0,0,0,0|2,0,0]=4 5858 B16R0.221 C=C[C@H](N)COCCCCCCCCCCC 34a_100016989147_100011215454 [1,1,0,0,0,0|2,0,0]=4 5859 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [1,1,0,0,0,0|0,0,2]=4 5860 B16R0.221 CCC(C)CCCCCOCCCCCC=O 7a_200000035636_100000139337 [1,1,0,0,0,0|1,0,0]=3 5861 B16R0.221 CCC(C)CCCCCOCCCCCCO 7a_200000035636_100000766143 [1,1,0,0,0,0|1,0,1]=4 5862 B16R0.221 CCC(C)CCCOCCCCCCCCO 7a_100011216074_100000033203 [1,1,0,0,0,0|1,0,1]=4 5863 B16R0.221 CCC(C)CCNCCCCCCCCCO 2230a_100020591266_100009813782 [1,1,0,0,0,0|1,0,1]=4 5864 B16R0.221 CCC(C)CCOCCCCCCCCCO 7a_100011215188_100009813782 [1,1,0,0,0,0|1,0,1]=4 5865 B16R0.221 CCC(C)CNCCCCCCCCCCO 2230a_100000066964_100000748023 [1,1,0,0,0,0|1,0,1]=4 5866 B16R0.221 CCC(C)CNCCCCCCCCCCO 2230a_100020588543_100009813290 [1,1,0,0,0,0|1,0,1]=4 5867 B16R0.221 CCC(C)CNCCCCCCCCCCO 270004a_100000066964_100000243153 [1,1,0,0,0,0|1,0,1]=4 5868 B16R0.221 CCC(C)CNCCCCCCCCCCO 34a_100000066964_100000748023 [1,1,0,0,0,0|1,0,1]=4 5869 B16R0.221 CCC(C)CSCCCCCCCCCCO 62a_100000748023_200000033068 [1,1,0,0,0,0|1,0,1]=4 5870 B16R0.221 CCC(C)CSCCCCCCCCCCO 62a_100009813290_100000748023 [1,1,0,0,0,0|1,0,1]=4 5871 B16R0.221 CCC(C)NCCCCCCCCCCCO 2230a_100000209981_100009812471 [1,1,0,0,0,0|1,0,1]=4 5872 B16R0.221 CCC(C)OCCCCCCCCCCCO 7a_100000210228_100009812471 [1,1,0,0,0,0|1,0,1]=4 5873 B16R0.221 CCC(C)SCCCCCCCCCCCO 62a_100009812471_100000758301 [1,1,0,0,0,0|1,0,1]=4 5874 B16R0.221 CCC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218378 [1,1,0,0,0,0|1,0,1]=4 5875 B16R0.221 CCC(O)CNCCCCCCCCCCO 2230a_100011218483_100009813290 [1,1,0,0,0,0|1,0,1]=4 5876 B16R0.221 CCC(O)CNCCCCCCCCCCO 34a_100000066964_100011218378 [1,1,0,0,0,0|1,0,1]=4 5877 B16R0.221 CCC(O)CSCCCCCCCCCCO 62a_100009813290_100011218378 [1,1,0,0,0,0|1,0,1]=4 5878 B16R0.221 CCC(O)CSCCCCCCCCCCO 62a_100011218378_200000033068 [1,1,0,0,0,0|1,0,1]=4 5879 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [1,1,0,0,0,0|0,0,2]=4 5880 B16R0.221 CCCCCCCCCCCCCC(C)NC 270004a_106832991635_100011216122 [1,1,0,0,0,0|2,0,0]=4 5881 B16R0.221 CCCCCCCCCCCCNC(C)CO 2230a_100000210451_100012180447 [1,1,0,0,0,0|1,0,1]=4 5882 B16R0.221 CCCCCCCCCCCCNC(C)CO 34a_100000210451_100012180447 [1,1,0,0,0,0|1,0,1]=4 5883 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215052 [1,1,0,0,0,0|1,0,1]=4 5884 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_100011218549 [1,1,0,0,0,0|1,0,1]=4 5885 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [1,1,0,0,0,0|1,0,1]=4 5886 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [1,1,0,0,0,0|1,0,1]=4 5887 B16R0.221 CCCCCCCCCCCCSC(C)CO 62a_100012180447_100000759014 [1,1,0,0,0,0|1,0,1]=4 5888 B16R0.221 CCCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000759014 [1,1,0,0,0,0|1,0,1]=4 5889 B16R0.221 CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011215454 [1,1,0,0,0,0|1,0,1]=4 5890 B16R0.221 CCCCCCCCCCCNCC(O)CO 2230a_200011215754_100011219619 [1,1,0,0,0,0|1,0,1]=4 5891 B16R0.221 CCCCCCCCCCCNCC(O)CO 34a_200011215754_100011219619 [1,1,0,0,0,0|1,0,1]=4 5892 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 2230a_200011215754_100000059175 [1,1,0,0,0,0|1,0,1]=4 5893 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 34a_200011215754_100000059175 [1,1,0,0,0,0|1,0,1]=4 5894 B16R0.221 CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215454 [1,1,0,0,0,0|1,0,1]=4 5895 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 2230a_200011215754_100009815848 [1,1,0,0,0,0|1,0,1]=4 5896 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 34a_200011215754_100009815848 [1,1,0,0,0,0|1,0,1]=4 5897 B16R0.221 CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215454 [1,1,0,0,0,0|1,0,1]=4 5898 B16R0.221 CCCCCCCCCCCOCC(O)CO 34a_100000210809_100011219619 [1,1,0,0,0,0|1,0,1]=4 5899 B16R0.221 CCCCCCCCCCCOCC(O)CO 7a_100000210809_100011219619 [1,1,0,0,0,0|1,0,1]=4 5900 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 34a_100000210809_100000059175 [1,1,0,0,0,0|1,0,1]=4 5901 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 7a_100000210809_100000059175 [1,1,0,0,0,0|1,0,1]=4 5902 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 34a_100000210809_100009815848 [1,1,0,0,0,0|1,0,1]=4 5903 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 7a_100000210809_100009815848 [1,1,0,0,0,0|1,0,1]=4 5904 B16R0.221 CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011215454 [1,1,0,0,0,0|1,0,1]=4 5905 B16R0.221 CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215454 [1,1,0,0,0,0|1,0,1]=4 5906 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215454 [1,1,0,0,0,0|1,0,1]=4 5907 B16R0.221 CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100000210320 [1,1,0,0,0,0|1,0,1]=4 5908 B16R0.221 CCCCCCCCCCNCCC(C)CO 34a_106354213184_100000210320 [1,1,0,0,0,0|1,0,1]=4 5909 B16R0.221 CCN(C)CCCCCCCCCCCCO 2230a_100000225621_100009813331 [1,1,0,0,0,0|1,0,1]=4 5910 B16R0.221 CCN(C)CCCCCCCCCCCCO 269982a_100000225621_100009813331 [1,1,0,0,0,0|1,0,1]=4 5911 B16R0.221 CC[C@H](C)CNCCCCCCCCCCO 2230a_100000066964_100009816398 [1,1,0,0,0,0|1,0,1]=4 5912 B16R0.221 CC[C@H](C)CNCCCCCCCCCCO 34a_100000066964_100009816398 [1,1,0,0,0,0|1,0,1]=4 5913 B16R0.221 CC[C@H](C)COCCCCCCCCCCO 7a_100009816381_100009813290 [1,1,0,0,0,0|1,0,1]=4 5914 B16R0.221 CC[C@H](C)CSCCCCCCCCCCO 62a_100009813290_100009816398 [1,1,0,0,0,0|1,0,1]=4 5915 B16R0.221 CC[C@H](C)CSCCCCCCCCCCO 62a_100009816398_200000033068 [1,1,0,0,0,0|1,0,1]=4 5916 B16R0.303 C#CCCCCCCCCCCOCCCC 34a_100000054667_100000210210 [1,1,0,0,0,0|1,0,1]=4 5917 B16R0.303 C#CCCCCCCCCCCOCCCC 7a_100000054667_100000210211 [1,1,0,0,0,0|1,0,1]=4 5918 B16R0.303 C#CCCCCCCCCCOCCCC=O 7a_100000034437_200011292268 [1,1,0,0,0,0|0,0,2]=4 5919 B16R0.303 C#CCCCCCCCCCOCCCCC 34a_100000034437_100000718602 [1,1,0,0,0,0|1,0,1]=4 5920 B16R0.303 C#CCCCCCCCCCOCCCCC 7a_100000034437_100000210326 [1,1,0,0,0,0|1,0,1]=4 5921 B16R0.303 C#CCCCCCCCCOCCCCC=O 7a_100000065265_100000139335 [1,1,0,0,0,0|0,0,2]=4 5922 B16R0.303 C#CCCCCCCCCOCCCCCC 34a_100000065265_100000210314 [1,1,0,0,0,0|1,0,1]=4 5923 B16R0.303 C#CCCCCCCCCOCCCCCC 7a_100000065265_100000210314 [1,1,0,0,0,0|1,0,1]=4 5924 B16R0.303 C#CCCCCCCCNCCCCCCC 2230a_100000229938_100153394163 [1,1,0,0,0,0|1,0,1]=4 5925 B16R0.303 C#CCCCCCCCOCCCCCC=O 7a_100000054614_100000139337 [1,1,0,0,0,0|0,0,2]=4 5926 B16R0.303 C#CCCCCCCCOCCCCCCC 34a_100000054614_100000210614 [1,1,0,0,0,0|1,0,1]=4 5927 B16R0.303 C#CCCCCCCCOCCCCCCC 34a_100000210272_100153394163 [1,1,0,0,0,0|1,0,1]=4 5928 B16R0.303 C#CCCCCCCCOCCCCCCC 7a_100000054614_100000210614 [1,1,0,0,0,0|1,0,1]=4 5929 B16R0.303 C#CCCCCCCCOCCCCCCC 7a_100000210272_100153394163 [1,1,0,0,0,0|1,0,1]=4 5930 B16R0.303 C#CCCCCCCCSCCCCCC=O 62a_100000139337_100153394163 [1,1,0,0,0,0|0,0,2]=4 5931 B16R0.303 C#CCCCCCCCSCCCCCC=O 62a_100153394163_100000139337 [1,1,0,0,0,0|0,0,2]=4 5932 B16R0.303 C#CCCCCCCCSCCCCCCC 62a_100000210614_100153394163 [1,1,0,0,0,0|1,0,1]=4 5933 B16R0.303 C#CCCCCCCCSCCCCCCC 62a_100153394163_100000210316 [1,1,0,0,0,0|1,0,1]=4 5934 B16R0.303 C#CCCCCCCNCCCCCCCC 2230a_100000229939_100012276617 [1,1,0,0,0,0|1,0,1]=4 5935 B16R0.303 C#CCCCCCCNCCCCCCCC 34a_100000229939_100012276617 [1,1,0,0,0,0|1,0,1]=4 5936 B16R0.303 C#CCCCCCCOCCCCCCCC 34a_100000210232_100012276617 [1,1,0,0,0,0|1,0,1]=4 5937 B16R0.303 C#CCCCCCCOCCCCCCCC 34a_100011217361_100000210759 [1,1,0,0,0,0|1,0,1]=4 5938 B16R0.303 C#CCCCCCCOCCCCCCCC 7a_100000210232_100012276617 [1,1,0,0,0,0|1,0,1]=4 5939 B16R0.303 C#CCCCCCCOCCCCCCCC 7a_100011217361_100000210759 [1,1,0,0,0,0|1,0,1]=4 5940 B16R0.303 C#CCCCCCCSCCCCCCCC 62a_100000210759_100012276617 [1,1,0,0,0,0|1,0,1]=4 5941 B16R0.303 C#CCCCCCCSCCCCCCCC 62a_100012276617_100000210317 [1,1,0,0,0,0|1,0,1]=4 5942 B16R0.303 C#CCCCCCNCCCCCCCCC 2230a_100000212291_100012094781 [1,1,0,0,0,0|1,0,1]=4 5943 B16R0.303 C#CCCCCCNCCCCCCCCC 34a_100000212291_100012094781 [1,1,0,0,0,0|1,0,1]=4 5944 B16R0.303 C#CCCCCCOCCCCCCCCC 34a_100000210712_100012094781 [1,1,0,0,0,0|1,0,1]=4 5945 B16R0.303 C#CCCCCCOCCCCCCCCC 34a_100000766912_100011214924 [1,1,0,0,0,0|1,0,1]=4 5946 B16R0.303 C#CCCCCCOCCCCCCCCC 7a_100000210712_100012094781 [1,1,0,0,0,0|1,0,1]=4 5947 B16R0.303 C#CCCCCCOCCCCCCCCC 7a_100000766912_100000210328 [1,1,0,0,0,0|1,0,1]=4 5948 B16R0.303 C#CCCCCCSCCCCCCCCC 62a_100012094781_100000210670 [1,1,0,0,0,0|1,0,1]=4 5949 B16R0.303 C#CCCCCNCCCCCCCCCC 2230a_100000684558_100010269958 [1,1,0,0,0,0|1,0,1]=4 5950 B16R0.303 C#CCCCCNCCCCCCCCCC 2230a_100000706060_100000210320 [1,1,0,0,0,0|1,0,1]=4 5951 B16R0.303 C#CCCCCNCCCCCCCCCC 34a_100000684558_100010269958 [1,1,0,0,0,0|1,0,1]=4 5952 B16R0.303 C#CCCCCNCCCCCCCCCC 34a_100000706060_100000210320 [1,1,0,0,0,0|1,0,1]=4 5953 B16R0.303 C#CCCCCOCCCCCCCCCC 34a_100000210711_100010269958 [1,1,0,0,0,0|1,0,1]=4 5954 B16R0.303 C#CCCCCOCCCCCCCCCC 34a_100000766709_100000210320 [1,1,0,0,0,0|1,0,1]=4 5955 B16R0.303 C#CCCCCOCCCCCCCCCC 7a_100000210711_100010269958 [1,1,0,0,0,0|1,0,1]=4 5956 B16R0.303 C#CCCCCOCCCCCCCCCC 7a_100000766709_100000210320 [1,1,0,0,0,0|1,0,1]=4 5957 B16R0.303 C#CCCCCSCCCCCCCCCC 62a_100010269958_100000210320 [1,1,0,0,0,0|1,0,1]=4 5958 B16R0.303 C#CCCCNCCCCCCCCCCC 2230a_200011215754_100000731252 [1,1,0,0,0,0|1,0,1]=4 5959 B16R0.303 C#CCCCNCCCCCCCCCCC 34a_100000718082_100011215454 [1,1,0,0,0,0|1,0,1]=4 5960 B16R0.303 C#CCCCNCCCCCCCCCCC 34a_200011215754_100000695029 [1,1,0,0,0,0|1,0,1]=4 5961 B16R0.303 C#CCCCOCCCCCCCCCCC 34a_100000210809_100000695029 [1,1,0,0,0,0|1,0,1]=4 5962 B16R0.303 C#CCCCOCCCCCCCCCCC 34a_100000215630_100011215454 [1,1,0,0,0,0|1,0,1]=4 5963 B16R0.303 C#CCCCOCCCCCCCCCCC 7a_100000210809_100011215417 [1,1,0,0,0,0|1,0,1]=4 5964 B16R0.303 C#CCCCOCCCCCCCCCCC 7a_100000215630_100011215454 [1,1,0,0,0,0|1,0,1]=4 5965 B16R0.303 C#CCCCSCCCCCCCCCCC 62a_100011215417_100011215454 [1,1,0,0,0,0|1,0,1]=4 5966 B16R0.303 C#CCCNCCCCCCCCCCCC 2230a_100000210451_100000688953 [1,1,0,0,0,0|1,0,1]=4 5967 B16R0.303 C#CCCNCCCCCCCCCCCC 34a_100000210451_100000688953 [1,1,0,0,0,0|1,0,1]=4 5968 B16R0.303 C#CCCNCCCCCCCCCCCC 34a_100000755551_100000759014 [1,1,0,0,0,0|1,0,1]=4 5969 B16R0.303 C#CCCOCCCCCCCCCCCC 34a_100000210810_100000688953 [1,1,0,0,0,0|1,0,1]=4 5970 B16R0.303 C#CCCOCCCCCCCCCCCC 34a_100011215631_100000759014 [1,1,0,0,0,0|1,0,1]=4 5971 B16R0.303 C#CCCOCCCCCCCCCCCC 7a_100000210810_100000688953 [1,1,0,0,0,0|1,0,1]=4 5972 B16R0.303 C#CCCSCCCCCCCCCCCC 62a_100000688953_100000759014 [1,1,0,0,0,0|1,0,1]=4 5973 B16R0.303 C#CCNCCCCCCCCCCCCC 2230a_100011215765_100000038162 [1,1,0,0,0,0|1,0,1]=4 5974 B16R0.303 C#CCNCCCCCCCCCCCCC 34a_100000212058_100000210684 [1,1,0,0,0,0|1,0,1]=4 5975 B16R0.303 C#CCNCCCCCCCCCCCCC 34a_100011215765_100000184674 [1,1,0,0,0,0|1,0,1]=4 5976 B16R0.303 C#CCOCCCCCCCCCCCCC 34a_100000185773_100000184674 [1,1,0,0,0,0|1,0,1]=4 5977 B16R0.303 C#CCOCCCCCCCCCCCCC 34a_100000210247_100000210684 [1,1,0,0,0,0|1,0,1]=4 5978 B16R0.303 C#CCOCCCCCCCCCCCCC 7a_100000185773_100000038162 [1,1,0,0,0,0|1,0,1]=4 5979 B16R0.303 C#CCSCCCCCCCCCCCCC 62a_100000038162_100011934334 [1,1,0,0,0,0|1,0,1]=4 5980 B16R0.303 C/C=C/CCOCCCCCCCCCCC 34a_100016278192_100011215454 [1,1,0,0,0,0|1,0,1]=4 5981 B16R0.303 C/C=C/CNCCCCCCCCCCCC 34a_100000210451_100102629194 [1,1,0,0,0,0|1,0,1]=4 5982 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100000210810_100102629194 [1,1,0,0,0,0|1,0,1]=4 5983 B16R0.303 C/C=C/COCCCCCCCCCCCC 34a_100016270725_100000759014 [1,1,0,0,0,0|1,0,1]=4 5984 B16R0.303 C/C=C/COCCCCCCCCCCCC 7a_100000210810_100102629194 [1,1,0,0,0,0|1,0,1]=4 5985 B16R0.303 C=CCCCCCCCCCCCCCNC 2230a_106832991635_102495333938 [1,1,0,0,0,0|1,0,0]=3 5986 B16R0.303 C=CCCCCCCCCCCCCCNC 34a_100102657272_102495333938 [1,1,0,0,0,0|1,0,0]=3 5987 B16R0.303 C=CCCCCCCCCCCCCCNC 7a_106832991635_102495333938 [1,1,0,0,0,0|1,0,0]=3 5988 B16R0.303 C=CCCCCCCCCCCCCCOC 34a_100138415774_102495333938 [1,1,0,0,0,0|1,0,0]=3 5989 B16R0.303 C=CCCCCCCCCCCCNCCF 34a_100000724931_102130925996 [1,1,0,0,0,0|2,0,0]=4 5990 B16R0.303 C=CCCCCCCCCCCCNCCO 2230a_100016997473_102130925996 [1,1,0,0,0,0|2,0,0]=4 5991 B16R0.303 C=CCCCCCCCCCCCNCCO 34a_100016990907_102130925996 [1,1,0,0,0,0|2,0,0]=4 5992 B16R0.303 C=CCCCCCCCCCCCOCCBr 34a_100000211926_102130925996 [1,1,0,0,0,0|2,0,0]=4 5993 B16R0.303 C=CCCCCCCCCCCCOCCC 34a_100000210258_102130925996 [1,1,0,0,0,0|1,0,0]=3 5994 B16R0.303 C=CCCCCCCCCCCCOCCN 34a_100000210304_102130925996 [1,1,0,0,0,0|2,0,0]=4 5995 B16R0.303 C=CCCCCCCCCCCCSCC=O 62a_102130925996_200015260668 [1,1,0,0,0,0|0,0,2]=4 5996 B16R0.303 C=CCCCCCCCCCCCSCC=O 62a_200015260668_102130925996 [1,1,0,0,0,0|0,0,2]=4 5997 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_100011217306_102130925996 [1,1,0,0,0,0|2,0,0]=4 5998 B16R0.303 C=CCCCCCCCCCCCSCCF 62a_102130925996_100011217306 [1,1,0,0,0,0|2,0,0]=4 5999 B16R0.303 C=CCCCCCCCCCCCSCCO 62a_100000211926_102130925996 [1,1,0,0,0,0|2,0,0]=4 6000 B16R0.303 C=CCCCCCCCCCCCSCCO 62a_102130925996_100000211926 [1,1,0,0,0,0|2,0,0]=4 6001 B16R0.303 C=CCCCCCCCCCCCSCOC 62a_100000766300_102130925996 [1,1,0,0,0,0|2,0,0]=4 6002 B16R0.303 C=CCCCCCCCCCCCSCOC 62a_102130925996_100000766300 [1,1,0,0,0,0|2,0,0]=4 6003 B16R0.303 C=CCCCCCCCCCCNCCCC 2230a_100000102301_100011093070 [1,1,0,0,0,0|1,0,0]=3 6004 B16R0.303 C=CCCCCCCCCCCNCCCC 7a_106832991798_100011093070 [1,1,0,0,0,0|1,0,0]=3 6005 B16R0.303 C=CCCCCCCCCCCNCCCF 2230a_100015189416_100011093070 [1,1,0,0,0,0|2,0,0]=4 6006 B16R0.303 C=CCCCCCCCCCCNCCCF 34a_100015189416_100011093070 [1,1,0,0,0,0|2,0,0]=4 6007 B16R0.303 C=CCCCCCCCCCCNCCOC 2230a_100000209980_100011093070 [1,1,0,0,0,0|2,0,0]=4 6008 B16R0.303 C=CCCCCCCCCCCNCCSC 2230a_100020590264_100011093070 [1,1,0,0,0,0|2,0,0]=4 6009 B16R0.303 C=CCCCCCCCCCCOCCCBr 34a_100011217188_100011093070 [1,1,0,0,0,0|2,0,0]=4 6010 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [1,1,0,0,0,0|1,0,0]=3 6011 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [1,1,0,0,0,0|1,0,0]=3 6012 B16R0.303 C=CCCCCCCCCCCOCCCCl 34a_100000230001_100011093070 [1,1,0,0,0,0|2,0,0]=4 6013 B16R0.303 C=CCCCCCCCCCCOCCCF 34a_100000759539_100011093070 [1,1,0,0,0,0|2,0,0]=4 6014 B16R0.303 C=CCCCCCCCCCCOCCCN 34a_100000182051_100011093070 [1,1,0,0,0,0|2,0,0]=4 6015 B16R0.303 C=CCCCCCCCCCCOCCOC 34a_100000210237_100011093070 [1,1,0,0,0,0|2,0,0]=4 6016 B16R0.303 C=CCCCCCCCCCCOCCSC 34a_100000230434_100011093070 [1,1,0,0,0,0|2,0,0]=4 6017 B16R0.303 C=CCCCCCCCCCCOCCSC 7a_100000230434_100011093070 [1,1,0,0,0,0|2,0,0]=4 6018 B16R0.303 C=CCCCCCCCCCCSCCCF 62a_100011093070_100011934791 [1,1,0,0,0,0|2,0,0]=4 6019 B16R0.303 C=CCCCCCCCCCCSCCCF 62a_100011934791_100011093070 [1,1,0,0,0,0|2,0,0]=4 6020 B16R0.303 C=CCCCCCCCCCCSCCCO 62a_100011093070_100011215043 [1,1,0,0,0,0|2,0,0]=4 6021 B16R0.303 C=CCCCCCCCCCCSCCCO 62a_100011215043_100011093070 [1,1,0,0,0,0|2,0,0]=4 6022 B16R0.303 C=CCCCCCCCCCCSCCOC 62a_100000233755_100011093070 [1,1,0,0,0,0|2,0,0]=4 6023 B16R0.303 C=CCCCCCCCCCCSCCOC 62a_100011093070_100000233755 [1,1,0,0,0,0|2,0,0]=4 6024 B16R0.303 C=CCCCCCCCCCCSCCSC 62a_100000212216_100011093070 [1,1,0,0,0,0|2,0,0]=4 6025 B16R0.303 C=CCCCCCCCCCCSCCSC 62a_100011093070_100000751147 [1,1,0,0,0,0|2,0,0]=4 6026 B16R0.303 C=CCCCCCCCCCCSCOCC 62a_100000739092_100011093070 [1,1,0,0,0,0|2,0,0]=4 6027 B16R0.303 C=CCCCCCCCCCCSCOCC 62a_100011093070_100000739092 [1,1,0,0,0,0|2,0,0]=4 6028 B16R0.303 C=CCCCCCCCCCNCCCC=O 2230a_100000081888_200011292268 [1,1,0,0,0,0|0,0,2]=4 6029 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000081888_100000210326 [1,1,0,0,0,0|1,0,0]=3 6030 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000209983_100009814027 [1,1,0,0,0,0|1,0,0]=3 6031 B16R0.303 C=CCCCCCCCCCNCCCCC 34a_100000081888_100000718602 [1,1,0,0,0,0|1,0,0]=3 6032 B16R0.303 C=CCCCCCCCCCNCCCCF 2230a_100000081888_100000729493 [1,1,0,0,0,0|2,0,0]=4 6033 B16R0.303 C=CCCCCCCCCCNCCCCF 34a_100000081888_100000729493 [1,1,0,0,0,0|2,0,0]=4 6034 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000081888_100000210776 [1,1,0,0,0,0|2,0,0]=4 6035 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000750430_100009814027 [1,1,0,0,0,0|2,0,0]=4 6036 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000081888_100011216708 [1,1,0,0,0,0|2,0,0]=4 6037 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000750430_100009814027 [1,1,0,0,0,0|2,0,0]=4 6038 B16R0.303 C=CCCCCCCCCCNCCCOC 2230a_100000081888_100000740836 [1,1,0,0,0,0|2,0,0]=4 6039 B16R0.303 C=CCCCCCCCCCNCCCOC 34a_100000081888_100000740836 [1,1,0,0,0,0|2,0,0]=4 6040 B16R0.303 C=CCCCCCCCCCNCCCOC 34a_100150723488_100009814027 [1,1,0,0,0,0|2,0,0]=4 6041 B16R0.303 C=CCCCCCCCCCNCCCSC 2230a_100000749238_100009814027 [1,1,0,0,0,0|2,0,0]=4 6042 B16R0.303 C=CCCCCCCCCCNCCOCC 2230a_100000081888_100011215890 [1,1,0,0,0,0|2,0,0]=4 6043 B16R0.303 C=CCCCCCCCCCNCCOCC 2230a_102516460346_100009814027 [1,1,0,0,0,0|2,0,0]=4 6044 B16R0.303 C=CCCCCCCCCCNCCOCC 34a_100000081888_100000210147 [1,1,0,0,0,0|2,0,0]=4 6045 B16R0.303 C=CCCCCCCCCCNCCOCC 34a_102516460346_100009814027 [1,1,0,0,0,0|2,0,0]=4 6046 B16R0.303 C=CCCCCCCCCCNCCSCC 2230a_100000081888_100000757381 [1,1,0,0,0,0|2,0,0]=4 6047 B16R0.303 C=CCCCCCCCCCNCCSCC 2230a_100000106463_100009814027 [1,1,0,0,0,0|2,0,0]=4 6048 B16R0.303 C=CCCCCCCCCCNCCSCC 34a_100000081888_100000757381 [1,1,0,0,0,0|2,0,0]=4 6049 B16R0.303 C=CCCCCCCCCCOCCCC=O 7a_100000038209_200011292268 [1,1,0,0,0,0|0,0,2]=4 6050 B16R0.303 C=CCCCCCCCCCOCCCCBr 34a_100011216708_100009814027 [1,1,0,0,0,0|2,0,0]=4 6051 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000038209_100000718602 [1,1,0,0,0,0|1,0,0]=3 6052 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000210253_100009814027 [1,1,0,0,0,0|1,0,0]=3 6053 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000038209_100000210326 [1,1,0,0,0,0|1,0,0]=3 6054 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000210253_100009814027 [1,1,0,0,0,0|1,0,0]=3 6055 B16R0.303 C=CCCCCCCCCCOCCCCCl 34a_100000210776_100009814027 [1,1,0,0,0,0|2,0,0]=4 6056 B16R0.303 C=CCCCCCCCCCOCCCCCl 7a_100000210776_100009814027 [1,1,0,0,0,0|2,0,0]=4 6057 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100000038209_100000729493 [1,1,0,0,0,0|2,0,0]=4 6058 B16R0.303 C=CCCCCCCCCCOCCCCF 34a_100011995726_100009814027 [1,1,0,0,0,0|2,0,0]=4 6059 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100000038209_100000729493 [1,1,0,0,0,0|2,0,0]=4 6060 B16R0.303 C=CCCCCCCCCCOCCCCF 7a_100011995726_100009814027 [1,1,0,0,0,0|2,0,0]=4 6061 B16R0.303 C=CCCCCCCCCCOCCCCI 34a_200012148704_100009814027 [1,1,0,0,0,0|2,0,0]=4 6062 B16R0.303 C=CCCCCCCCCCOCCCCN 34a_100000750430_100009814027 [1,1,0,0,0,0|2,0,0]=4 6063 B16R0.303 C=CCCCCCCCCCOCCCCO 34a_100000038209_100011216708 [1,1,0,0,0,0|2,0,0]=4 6064 B16R0.303 C=CCCCCCCCCCOCCCCO 7a_100000038209_100000210776 [1,1,0,0,0,0|2,0,0]=4 6065 B16R0.303 C=CCCCCCCCCCOCCCNC 34a_100000213112_100009814027 [1,1,0,0,0,0|2,0,0]=4 6066 B16R0.303 C=CCCCCCCCCCOCCCOC 34a_100000038209_100000740836 [1,1,0,0,0,0|2,0,0]=4 6067 B16R0.303 C=CCCCCCCCCCOCCCOC 34a_100000740835_100009814027 [1,1,0,0,0,0|2,0,0]=4 6068 B16R0.303 C=CCCCCCCCCCOCCCOC 7a_100000038209_100000740836 [1,1,0,0,0,0|2,0,0]=4 6069 B16R0.303 C=CCCCCCCCCCOCCCSC 34a_100000690336_100009814027 [1,1,0,0,0,0|2,0,0]=4 6070 B16R0.303 C=CCCCCCCCCCOCCCSC 7a_100000690336_100009814027 [1,1,0,0,0,0|2,0,0]=4 6071 B16R0.303 C=CCCCCCCCCCOCCOCC 34a_100000038209_100000210147 [1,1,0,0,0,0|2,0,0]=4 6072 B16R0.303 C=CCCCCCCCCCOCCOCC 34a_100000210136_100009814027 [1,1,0,0,0,0|2,0,0]=4 6073 B16R0.303 C=CCCCCCCCCCOCCOCC 7a_100000038209_100011215890 [1,1,0,0,0,0|2,0,0]=4 6074 B16R0.303 C=CCCCCCCCCCOCCOCC 7a_100000210136_100009814027 [1,1,0,0,0,0|2,0,0]=4 6075 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000038209_100000757381 [1,1,0,0,0,0|2,0,0]=4 6076 B16R0.303 C=CCCCCCCCCCOCCSCC 34a_100000212035_100009814027 [1,1,0,0,0,0|2,0,0]=4 6077 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000038209_100000757381 [1,1,0,0,0,0|2,0,0]=4 6078 B16R0.303 C=CCCCCCCCCCOCCSCC 7a_100000212035_100009814027 [1,1,0,0,0,0|2,0,0]=4 6079 B16R0.303 C=CCCCCCCCCCSCCCC=O 62a_100009814027_200011292268 [1,1,0,0,0,0|0,0,2]=4 6080 B16R0.303 C=CCCCCCCCCCSCCCC=O 62a_200011292268_100009814027 [1,1,0,0,0,0|0,0,2]=4 6081 B16R0.303 C=CCCCCCCCCCSCCCCF 62a_100000729493_100009814027 [1,1,0,0,0,0|2,0,0]=4 6082 B16R0.303 C=CCCCCCCCCCSCCCCF 62a_100009814027_100000729493 [1,1,0,0,0,0|2,0,0]=4 6083 B16R0.303 C=CCCCCCCCCCSCCCCO 62a_100000210776_100009814027 [1,1,0,0,0,0|2,0,0]=4 6084 B16R0.303 C=CCCCCCCCCCSCCCCO 62a_100009814027_100000210776 [1,1,0,0,0,0|2,0,0]=4 6085 B16R0.303 C=CCCCCCCCCCSCCCOC 62a_100000709357_100009814027 [1,1,0,0,0,0|2,0,0]=4 6086 B16R0.303 C=CCCCCCCCCCSCCCOC 62a_100009814027_100000709357 [1,1,0,0,0,0|2,0,0]=4 6087 B16R0.303 C=CCCCCCCCCCSCCOCC 62a_100000210147_100009814027 [1,1,0,0,0,0|2,0,0]=4 6088 B16R0.303 C=CCCCCCCCCCSCCOCC 62a_100009814027_100011215890 [1,1,0,0,0,0|2,0,0]=4 6089 B16R0.303 C=CCCCCCCCCCSCCSCC 62a_100000757381_100009814027 [1,1,0,0,0,0|2,0,0]=4 6090 B16R0.303 C=CCCCCCCCCCSCCSCC 62a_100009814027_100000757381 [1,1,0,0,0,0|2,0,0]=4 6091 B16R0.303 C=CCCCCCCCCNCCCCCC 2230a_100000210581_100011933949 [1,1,0,0,0,0|1,0,0]=3 6092 B16R0.303 C=CCCCCCCCCNCCCCCO 2230a_100000762737_100011933949 [1,1,0,0,0,0|2,0,0]=4 6093 B16R0.303 C=CCCCCCCCCNCCCCCO 34a_100000762737_100011933949 [1,1,0,0,0,0|2,0,0]=4 6094 B16R0.303 C=CCCCCCCCCNCCCOCC 2230a_100000210961_100011933949 [1,1,0,0,0,0|2,0,0]=4 6095 B16R0.303 C=CCCCCCCCCNCCCOCC 34a_100000210961_100011933949 [1,1,0,0,0,0|2,0,0]=4 6096 B16R0.303 C=CCCCCCCCCNCCOCCC 2230a_100161115042_100011933949 [1,1,0,0,0,0|2,0,0]=4 6097 B16R0.303 C=CCCCCCCCCNCCOCCC 34a_100161115042_100011933949 [1,1,0,0,0,0|2,0,0]=4 6098 B16R0.303 C=CCCCCCCCCNCCSCCC 2230a_100020603323_100011933949 [1,1,0,0,0,0|2,0,0]=4 6099 B16R0.303 C=CCCCCCCCCOCCCCC=O 7a_100011215194_100000139335 [1,1,0,0,0,0|0,0,2]=4 6100 B16R0.303 C=CCCCCCCCCOCCCCCBr 34a_100000746331_100011933949 [1,1,0,0,0,0|2,0,0]=4 6101 B16R0.303 C=CCCCCCCCCOCCCCCBr 7a_100000746331_100011933949 [1,1,0,0,0,0|2,0,0]=4 6102 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100000210259_100011933949 [1,1,0,0,0,0|1,0,0]=3 6103 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100011215194_100000210314 [1,1,0,0,0,0|1,0,0]=3 6104 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100000210259_100011933949 [1,1,0,0,0,0|1,0,0]=3 6105 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100011215194_100000210314 [1,1,0,0,0,0|1,0,0]=3 6106 B16R0.303 C=CCCCCCCCCOCCCCCCl 34a_100000746330_100011933949 [1,1,0,0,0,0|2,0,0]=4 6107 B16R0.303 C=CCCCCCCCCOCCCCCCl 7a_100000746330_100011933949 [1,1,0,0,0,0|2,0,0]=4 6108 B16R0.303 C=CCCCCCCCCOCCCCCF 34a_100011215194_100000729378 [1,1,0,0,0,0|2,0,0]=4 6109 B16R0.303 C=CCCCCCCCCOCCCCCF 7a_100011215194_100000729378 [1,1,0,0,0,0|2,0,0]=4 6110 B16R0.303 C=CCCCCCCCCOCCCCCI 34a_200012148887_100011933949 [1,1,0,0,0,0|2,0,0]=4 6111 B16R0.303 C=CCCCCCCCCOCCCCCI 7a_200012148887_100011933949 [1,1,0,0,0,0|2,0,0]=4 6112 B16R0.303 C=CCCCCCCCCOCCCCCN 34a_100000762737_100011933949 [1,1,0,0,0,0|2,0,0]=4 6113 B16R0.303 C=CCCCCCCCCOCCCCCO 34a_100011215194_100000746330 [1,1,0,0,0,0|2,0,0]=4 6114 B16R0.303 C=CCCCCCCCCOCCCCCO 7a_100011215194_100000746330 [1,1,0,0,0,0|2,0,0]=4 6115 B16R0.303 C=CCCCCCCCCOCCCCOC 34a_100000740925_100011933949 [1,1,0,0,0,0|2,0,0]=4 6116 B16R0.303 C=CCCCCCCCCOCCCCOC 34a_100011215194_100000755781 [1,1,0,0,0,0|2,0,0]=4 6117 B16R0.303 C=CCCCCCCCCOCCCCOC 7a_100011215194_100000730899 [1,1,0,0,0,0|2,0,0]=4 6118 B16R0.303 C=CCCCCCCCCOCCCCSC 34a_100011217163_100011933949 [1,1,0,0,0,0|2,0,0]=4 6119 B16R0.303 C=CCCCCCCCCOCCCCSC 7a_100011217163_100011933949 [1,1,0,0,0,0|2,0,0]=4 6120 B16R0.303 C=CCCCCCCCCOCCCOCC 34a_100000757476_100011933949 [1,1,0,0,0,0|2,0,0]=4 6121 B16R0.303 C=CCCCCCCCCOCCCOCC 34a_100011215194_100012232248 [1,1,0,0,0,0|2,0,0]=4 6122 B16R0.303 C=CCCCCCCCCOCCCOCC 7a_100000757476_100011933949 [1,1,0,0,0,0|2,0,0]=4 6123 B16R0.303 C=CCCCCCCCCOCCCOCC 7a_100011215194_100012232248 [1,1,0,0,0,0|2,0,0]=4 6124 B16R0.303 C=CCCCCCCCCOCCCSCC 34a_100011216438_100011933949 [1,1,0,0,0,0|2,0,0]=4 6125 B16R0.303 C=CCCCCCCCCOCCCSCC 7a_100011216438_100011933949 [1,1,0,0,0,0|2,0,0]=4 6126 B16R0.303 C=CCCCCCCCCOCCOCCC 34a_100000752267_100011933949 [1,1,0,0,0,0|2,0,0]=4 6127 B16R0.303 C=CCCCCCCCCOCCOCCC 34a_100011215194_100011215938 [1,1,0,0,0,0|2,0,0]=4 6128 B16R0.303 C=CCCCCCCCCOCCOCCC 7a_100000752267_100011933949 [1,1,0,0,0,0|2,0,0]=4 6129 B16R0.303 C=CCCCCCCCCOCCOCCC 7a_100011215194_100011215938 [1,1,0,0,0,0|2,0,0]=4 6130 B16R0.303 C=CCCCCCCCCOCCSCCC 34a_200000230433_100011933949 [1,1,0,0,0,0|2,0,0]=4 6131 B16R0.303 C=CCCCCCCCCOCCSCCC 7a_200000230433_100011933949 [1,1,0,0,0,0|2,0,0]=4 6132 B16R0.303 C=CCCCCCCCCOCOCCCC 34a_100011215194_100011995733 [1,1,0,0,0,0|2,0,0]=4 6133 B16R0.303 C=CCCCCCCCCSCCCCC=O 62a_100000139335_100011933949 [1,1,0,0,0,0|0,0,2]=4 6134 B16R0.303 C=CCCCCCCCCSCCCCC=O 62a_100011933949_100000139335 [1,1,0,0,0,0|0,0,2]=4 6135 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100000729378_100011933949 [1,1,0,0,0,0|2,0,0]=4 6136 B16R0.303 C=CCCCCCCCCSCCCCCF 62a_100011933949_100000729378 [1,1,0,0,0,0|2,0,0]=4 6137 B16R0.303 C=CCCCCCCCCSCCCCCO 62a_100000746330_100011933949 [1,1,0,0,0,0|2,0,0]=4 6138 B16R0.303 C=CCCCCCCCCSCCCCCO 62a_100011933949_100000746330 [1,1,0,0,0,0|2,0,0]=4 6139 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100000730899_100011933949 [1,1,0,0,0,0|2,0,0]=4 6140 B16R0.303 C=CCCCCCCCCSCCCCOC 62a_100011933949_100000730899 [1,1,0,0,0,0|2,0,0]=4 6141 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100011933949_100012232248 [1,1,0,0,0,0|2,0,0]=4 6142 B16R0.303 C=CCCCCCCCCSCCCOCC 62a_100012232248_100011933949 [1,1,0,0,0,0|2,0,0]=4 6143 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011215938_100011933949 [1,1,0,0,0,0|2,0,0]=4 6144 B16R0.303 C=CCCCCCCCCSCCOCCC 62a_100011933949_100011215938 [1,1,0,0,0,0|2,0,0]=4 6145 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011933949_100011995733 [1,1,0,0,0,0|2,0,0]=4 6146 B16R0.303 C=CCCCCCCCCSCOCCCC 62a_100011995733_100011933949 [1,1,0,0,0,0|2,0,0]=4 6147 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [1,1,0,0,0,0|1,0,0]=3 6148 B16R0.303 C=CCCCCCCCNCCCCCCO 2230a_100000686447_100012355270 [1,1,0,0,0,0|2,0,0]=4 6149 B16R0.303 C=CCCCCCCCNCCCCCCO 34a_100000686447_100012355270 [1,1,0,0,0,0|2,0,0]=4 6150 B16R0.303 C=CCCCCCCCNCCCCCOC 2230a_100000747528_100012355270 [1,1,0,0,0,0|2,0,0]=4 6151 B16R0.303 C=CCCCCCCCNCCCCCOC 34a_100000747528_100012355270 [1,1,0,0,0,0|2,0,0]=4 6152 B16R0.303 C=CCCCCCCCNCCCOCCC 2230a_100011217757_100012355270 [1,1,0,0,0,0|2,0,0]=4 6153 B16R0.303 C=CCCCCCCCNCCCOCCC 34a_100011217757_100012355270 [1,1,0,0,0,0|2,0,0]=4 6154 B16R0.303 C=CCCCCCCCNCCSCCCC 2230a_100025743550_100012355270 [1,1,0,0,0,0|2,0,0]=4 6155 B16R0.303 C=CCCCCCCCOCCCCCC=O 7a_100000730831_100000139337 [1,1,0,0,0,0|0,0,2]=4 6156 B16R0.303 C=CCCCCCCCOCCCCCCBr 34a_100011215345_100012355270 [1,1,0,0,0,0|2,0,0]=4 6157 B16R0.303 C=CCCCCCCCOCCCCCCBr 7a_100011215345_100012355270 [1,1,0,0,0,0|2,0,0]=4 6158 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [1,1,0,0,0,0|1,0,0]=3 6159 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [1,1,0,0,0,0|1,0,0]=3 6160 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [1,1,0,0,0,0|1,0,0]=3 6161 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [1,1,0,0,0,0|1,0,0]=3 6162 B16R0.303 C=CCCCCCCCOCCCCCCCl 34a_100000766143_100012355270 [1,1,0,0,0,0|2,0,0]=4 6163 B16R0.303 C=CCCCCCCCOCCCCCCCl 7a_100000766143_100012355270 [1,1,0,0,0,0|2,0,0]=4 6164 B16R0.303 C=CCCCCCCCOCCCCCCF 34a_100000730831_100015922095 [1,1,0,0,0,0|2,0,0]=4 6165 B16R0.303 C=CCCCCCCCOCCCCCCF 34a_100000732779_100012355270 [1,1,0,0,0,0|2,0,0]=4 6166 B16R0.303 C=CCCCCCCCOCCCCCCF 7a_100000730831_100015922095 [1,1,0,0,0,0|2,0,0]=4 6167 B16R0.303 C=CCCCCCCCOCCCCCCF 7a_100000732779_100012355270 [1,1,0,0,0,0|2,0,0]=4 6168 B16R0.303 C=CCCCCCCCOCCCCCCN 34a_100000686447_100012355270 [1,1,0,0,0,0|2,0,0]=4 6169 B16R0.303 C=CCCCCCCCOCCCCCCO 34a_100000730831_100000766143 [1,1,0,0,0,0|2,0,0]=4 6170 B16R0.303 C=CCCCCCCCOCCCCCCO 7a_100000730831_100000766143 [1,1,0,0,0,0|2,0,0]=4 6171 B16R0.303 C=CCCCCCCCOCCCCCNC 34a_100000722520_100012355270 [1,1,0,0,0,0|2,0,0]=4 6172 B16R0.303 C=CCCCCCCCOCCOCCCC 34a_100000210238_100012355270 [1,1,0,0,0,0|2,0,0]=4 6173 B16R0.303 C=CCCCCCCCOCCOCCCC 34a_100000730831_100000743108 [1,1,0,0,0,0|2,0,0]=4 6174 B16R0.303 C=CCCCCCCCOCCOCCCC 7a_100000210238_100012355270 [1,1,0,0,0,0|2,0,0]=4 6175 B16R0.303 C=CCCCCCCCOCCOCCCC 7a_100000730831_100000743108 [1,1,0,0,0,0|2,0,0]=4 6176 B16R0.303 C=CCCCCCCCOCCSCCCC 34a_200000230436_100012355270 [1,1,0,0,0,0|2,0,0]=4 6177 B16R0.303 C=CCCCCCCCOCCSCCCC 7a_200000230436_100012355270 [1,1,0,0,0,0|2,0,0]=4 6178 B16R0.303 C=CCCCCCCCSCCCCCC=O 62a_100000139337_100012355270 [1,1,0,0,0,0|0,0,2]=4 6179 B16R0.303 C=CCCCCCCCSCCCCCC=O 62a_100012355270_100000139337 [1,1,0,0,0,0|0,0,2]=4 6180 B16R0.303 C=CCCCCCCCSCCCCCCF 62a_100012355270_100015922095 [1,1,0,0,0,0|2,0,0]=4 6181 B16R0.303 C=CCCCCCCCSCCCCCCF 62a_100015922095_100012355270 [1,1,0,0,0,0|2,0,0]=4 6182 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100000766143_100012355270 [1,1,0,0,0,0|2,0,0]=4 6183 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100012355270_100000766143 [1,1,0,0,0,0|2,0,0]=4 6184 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100000743108_100012355270 [1,1,0,0,0,0|2,0,0]=4 6185 B16R0.303 C=CCCCCCCCSCCOCCCC 62a_100012355270_100000743108 [1,1,0,0,0,0|2,0,0]=4 6186 B16R0.303 C=CCCCCCCNCCCCCCCC 2230a_100000229939_100011215473 [1,1,0,0,0,0|1,0,0]=3 6187 B16R0.303 C=CCCCCCCNCCCCCCCC 34a_100000229939_100011215473 [1,1,0,0,0,0|1,0,0]=3 6188 B16R0.303 C=CCCCCCCNCCCCCCCO 2230a_100011996573_100011215473 [1,1,0,0,0,0|2,0,0]=4 6189 B16R0.303 C=CCCCCCCNCCCCCCCO 34a_100011996573_100011215473 [1,1,0,0,0,0|2,0,0]=4 6190 B16R0.303 C=CCCCCCCNCCCOCCCC 2230a_200000211371_100011215473 [1,1,0,0,0,0|2,0,0]=4 6191 B16R0.303 C=CCCCCCCNCCCOCCCC 34a_200000211371_100011215473 [1,1,0,0,0,0|2,0,0]=4 6192 B16R0.303 C=CCCCCCCOCCCCCCCBr 34a_100000760002_100011215473 [1,1,0,0,0,0|2,0,0]=4 6193 B16R0.303 C=CCCCCCCOCCCCCCCBr 7a_100000760002_100011215473 [1,1,0,0,0,0|2,0,0]=4 6194 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_100000210232_100011215473 [1,1,0,0,0,0|1,0,0]=3 6195 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_200011216477_100000210759 [1,1,0,0,0,0|1,0,0]=3 6196 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_100000210232_100011215473 [1,1,0,0,0,0|1,0,0]=3 6197 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_200011216477_100000210759 [1,1,0,0,0,0|1,0,0]=3 6198 B16R0.303 C=CCCCCCCOCCCCCCCN 34a_100011996573_100011215473 [1,1,0,0,0,0|2,0,0]=4 6199 B16R0.303 C=CCCCCCCOCCCCCCCO 34a_200011216477_100000760002 [1,1,0,0,0,0|2,0,0]=4 6200 B16R0.303 C=CCCCCCCOCCCCCCCO 7a_200011216477_100000760002 [1,1,0,0,0,0|2,0,0]=4 6201 B16R0.303 C=CCCCCCCOCCCCCCOC 34a_200011216477_100011998445 [1,1,0,0,0,0|2,0,0]=4 6202 B16R0.303 C=CCCCCCCOCCCCCCOC 34a_200012092642_100011215473 [1,1,0,0,0,0|2,0,0]=4 6203 B16R0.303 C=CCCCCCCOCCCCCCOC 7a_200011216477_100011998445 [1,1,0,0,0,0|2,0,0]=4 6204 B16R0.303 C=CCCCCCCOCCCCCCOC 7a_200012092642_100011215473 [1,1,0,0,0,0|2,0,0]=4 6205 B16R0.303 C=CCCCCCCOCCCOCCCC 34a_200011215613_100011215473 [1,1,0,0,0,0|2,0,0]=4 6206 B16R0.303 C=CCCCCCCOCCCOCCCC 7a_200011215613_100011215473 [1,1,0,0,0,0|2,0,0]=4 6207 B16R0.303 C=CCCCCCCOCCNCCCCC 34a_100000224656_100011215473 [1,1,0,0,0,0|2,0,0]=4 6208 B16R0.303 C=CCCCCCCOCCOCCCCC 34a_100011215259_100011215473 [1,1,0,0,0,0|2,0,0]=4 6209 B16R0.303 C=CCCCCCCOCCOCCCCC 7a_100011215259_100011215473 [1,1,0,0,0,0|2,0,0]=4 6210 B16R0.303 C=CCCCCCCSCCCCCCCO 62a_100000760002_100011215473 [1,1,0,0,0,0|2,0,0]=4 6211 B16R0.303 C=CCCCCCCSCCCCCCCO 62a_100011215473_100000760002 [1,1,0,0,0,0|2,0,0]=4 6212 B16R0.303 C=CCCCCCCSCCCCCCOC 62a_100011215473_100011998445 [1,1,0,0,0,0|2,0,0]=4 6213 B16R0.303 C=CCCCCCCSCCCCCCOC 62a_100011998445_100011215473 [1,1,0,0,0,0|2,0,0]=4 6214 B16R0.303 C=CCCCCCNCCCCCCCCC 2230a_100000212291_100000700193 [1,1,0,0,0,0|1,0,0]=3 6215 B16R0.303 C=CCCCCCNCCCCCCCCC 34a_100000212291_100000700193 [1,1,0,0,0,0|1,0,0]=3 6216 B16R0.303 C=CCCCCCNCCCCCCCCO 2230a_102515433106_100000700193 [1,1,0,0,0,0|2,0,0]=4 6217 B16R0.303 C=CCCCCCNCCCCCCCCO 34a_102515433106_100000700193 [1,1,0,0,0,0|2,0,0]=4 6218 B16R0.303 C=CCCCCCOCCCCCCCCBr 34a_100009813846_100000700193 [1,1,0,0,0,0|2,0,0]=4 6219 B16R0.303 C=CCCCCCOCCCCCCCCBr 7a_100009813846_100000700193 [1,1,0,0,0,0|2,0,0]=4 6220 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100000210712_100000700193 [1,1,0,0,0,0|1,0,0]=3 6221 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100011216702_100011214924 [1,1,0,0,0,0|1,0,0]=3 6222 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100000210712_100000700193 [1,1,0,0,0,0|1,0,0]=3 6223 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100011216702_100000210328 [1,1,0,0,0,0|1,0,0]=3 6224 B16R0.303 C=CCCCCCOCCCCCCCCCl 34a_100000033203_100000700193 [1,1,0,0,0,0|2,0,0]=4 6225 B16R0.303 C=CCCCCCOCCCCCCCCCl 7a_100000033203_100000700193 [1,1,0,0,0,0|2,0,0]=4 6226 B16R0.303 C=CCCCCCOCCCCCCCCN 34a_102515433106_100000700193 [1,1,0,0,0,0|2,0,0]=4 6227 B16R0.303 C=CCCCCCOCCCCCCCCO 34a_100011216702_100000033203 [1,1,0,0,0,0|2,0,0]=4 6228 B16R0.303 C=CCCCCCOCCCCCCCCO 7a_100011216702_100000033203 [1,1,0,0,0,0|2,0,0]=4 6229 B16R0.303 C=CCCCCCOCCCCNCCCC 34a_200011216965_100000700193 [1,1,0,0,0,0|2,0,0]=4 6230 B16R0.303 C=CCCCCCOCCCCOCCCC 34a_200000760531_100000700193 [1,1,0,0,0,0|2,0,0]=4 6231 B16R0.303 C=CCCCCCOCCCCOCCCC 7a_200000760531_100000700193 [1,1,0,0,0,0|2,0,0]=4 6232 B16R0.303 C=CCCCCCOCCOCCCCCC 34a_100000691444_100000700193 [1,1,0,0,0,0|2,0,0]=4 6233 B16R0.303 C=CCCCCCOCCOCCCCCC 7a_100000691444_100000700193 [1,1,0,0,0,0|2,0,0]=4 6234 B16R0.303 C=CCCCCCSCCCCCCCCO 62a_100000033203_100000700193 [1,1,0,0,0,0|2,0,0]=4 6235 B16R0.303 C=CCCCCCSCCCCCCCCO 62a_100000700193_100000033203 [1,1,0,0,0,0|2,0,0]=4 6236 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000684558_100011215482 [1,1,0,0,0,0|1,0,0]=3 6237 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000703577_100000210320 [1,1,0,0,0,0|1,0,0]=3 6238 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000684558_100011215482 [1,1,0,0,0,0|1,0,0]=3 6239 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000703577_100000210320 [1,1,0,0,0,0|1,0,0]=3 6240 B16R0.303 C=CCCCCNCCCCCCCCCO 2230a_100000078944_100011215482 [1,1,0,0,0,0|2,0,0]=4 6241 B16R0.303 C=CCCCCNCCCCCCCCCO 2230a_100000703577_100009813782 [1,1,0,0,0,0|2,0,0]=4 6242 B16R0.303 C=CCCCCNCCCCCCCCCO 34a_100000078944_100011215482 [1,1,0,0,0,0|2,0,0]=4 6243 B16R0.303 C=CCCCCNCCCCCCCCCO 34a_100000703577_100009813782 [1,1,0,0,0,0|2,0,0]=4 6244 B16R0.303 C=CCCCCOCCCCCCCCCBr 34a_100009813782_100011215482 [1,1,0,0,0,0|2,0,0]=4 6245 B16R0.303 C=CCCCCOCCCCCCCCCBr 7a_100009813782_100011215482 [1,1,0,0,0,0|2,0,0]=4 6246 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000210711_100011215482 [1,1,0,0,0,0|1,0,0]=3 6247 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000766645_100000210320 [1,1,0,0,0,0|1,0,0]=3 6248 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000210711_100011215482 [1,1,0,0,0,0|1,0,0]=3 6249 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000766645_100000210320 [1,1,0,0,0,0|1,0,0]=3 6250 B16R0.303 C=CCCCCOCCCCCCCCCCl 34a_100009868337_100011215482 [1,1,0,0,0,0|2,0,0]=4 6251 B16R0.303 C=CCCCCOCCCCCCCCCCl 7a_100009868337_100011215482 [1,1,0,0,0,0|2,0,0]=4 6252 B16R0.303 C=CCCCCOCCCCCCCCCN 34a_100000078944_100011215482 [1,1,0,0,0,0|2,0,0]=4 6253 B16R0.303 C=CCCCCOCCCCCCCCCO 34a_100000766645_100009813782 [1,1,0,0,0,0|2,0,0]=4 6254 B16R0.303 C=CCCCCOCCCCCCCCCO 7a_100000766645_100009813782 [1,1,0,0,0,0|2,0,0]=4 6255 B16R0.303 C=CCCCCSCCCCCCCCCO 62a_100009813782_100011215482 [1,1,0,0,0,0|2,0,0]=4 6256 B16R0.303 C=CCCCCSCCCCCCCCCO 62a_100011215482_100009813782 [1,1,0,0,0,0|2,0,0]=4 6257 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [1,1,0,0,0,0|1,0,0]=3 6258 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [1,1,0,0,0,0|1,0,0]=3 6259 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [1,1,0,0,0,0|1,0,0]=3 6260 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [1,1,0,0,0,0|1,0,0]=3 6261 B16R0.303 C=CCCCNCCCCCCCCCCO 2230a_100000066964_100011713584 [1,1,0,0,0,0|2,0,0]=4 6262 B16R0.303 C=CCCCNCCCCCCCCCCO 2230a_100000700776_100009813290 [1,1,0,0,0,0|2,0,0]=4 6263 B16R0.303 C=CCCCNCCCCCCCCCCO 34a_100000066964_100000757094 [1,1,0,0,0,0|2,0,0]=4 6264 B16R0.303 C=CCCCNCCCCCCCCCCO 34a_100000700776_100009813290 [1,1,0,0,0,0|2,0,0]=4 6265 B16R0.303 C=CCCCOCCCCCCCCCCBr 34a_100009813290_100000757094 [1,1,0,0,0,0|2,0,0]=4 6266 B16R0.303 C=CCCCOCCCCCCCCCCBr 7a_100009813290_100000757094 [1,1,0,0,0,0|2,0,0]=4 6267 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [1,1,0,0,0,0|1,0,0]=3 6268 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [1,1,0,0,0,0|1,0,0]=3 6269 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [1,1,0,0,0,0|1,0,0]=3 6270 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [1,1,0,0,0,0|1,0,0]=3 6271 B16R0.303 C=CCCCOCCCCCCCCCCCl 34a_200000033068_100000757094 [1,1,0,0,0,0|2,0,0]=4 6272 B16R0.303 C=CCCCOCCCCCCCCCCCl 7a_200000033068_100000757094 [1,1,0,0,0,0|2,0,0]=4 6273 B16R0.303 C=CCCCOCCCCCCCCCCN 34a_100000066964_100000757094 [1,1,0,0,0,0|2,0,0]=4 6274 B16R0.303 C=CCCCOCCCCCCCCCCO 34a_100000758997_100009813290 [1,1,0,0,0,0|2,0,0]=4 6275 B16R0.303 C=CCCCOCCCCCCCCCCO 7a_100000758997_100009813290 [1,1,0,0,0,0|2,0,0]=4 6276 B16R0.303 C=CCCCSCCCCCCCCCCO 62a_100009813290_100000757094 [1,1,0,0,0,0|2,0,0]=4 6277 B16R0.303 C=CCCCSCCCCCCCCCCO 62a_100011713584_200000033068 [1,1,0,0,0,0|2,0,0]=4 6278 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100000210451_100000754431 [1,1,0,0,0,0|1,0,0]=3 6279 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100015191253_100011215052 [1,1,0,0,0,0|1,0,0]=3 6280 B16R0.303 C=CCCNCCCCCCCCCCCC 270004a_100015191253_100011218549 [1,1,0,0,0,0|1,0,0]=3 6281 B16R0.303 C=CCCNCCCCCCCCCCCC 34a_100000210451_100000754431 [1,1,0,0,0,0|1,0,0]=3 6282 B16R0.303 C=CCCNCCCCCCCCCCCO 2230a_100015191253_100009812471 [1,1,0,0,0,0|2,0,0]=4 6283 B16R0.303 C=CCCOCCCCCCCCCCCBr 34a_100009812471_100000754431 [1,1,0,0,0,0|2,0,0]=4 6284 B16R0.303 C=CCCOCCCCCCCCCCCBr 7a_100009812471_100000754431 [1,1,0,0,0,0|2,0,0]=4 6285 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [1,1,0,0,0,0|1,0,0]=3 6286 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [1,1,0,0,0,0|1,0,0]=3 6287 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [1,1,0,0,0,0|1,0,0]=3 6288 B16R0.303 C=CCCOCCCCCCCCCCCO 34a_100011205117_100009812471 [1,1,0,0,0,0|2,0,0]=4 6289 B16R0.303 C=CCCOCCCCCCCCCOCC 34a_100009875440_100000754431 [1,1,0,0,0,0|2,0,0]=4 6290 B16R0.303 C=CCCOCCCCCCCCCOCC 7a_100009875440_100000754431 [1,1,0,0,0,0|2,0,0]=4 6291 B16R0.303 C=CCCSCCCCCCCCCCCO 62a_100009812471_100000754431 [1,1,0,0,0,0|2,0,0]=4 6292 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100011215765_100000210623 [1,1,0,0,0,0|1,0,0]=3 6293 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100020586998_100000210684 [1,1,0,0,0,0|1,0,0]=3 6294 B16R0.303 C=CCNCCCCCCCCCCCCC 270004a_100020586998_200011215488 [1,1,0,0,0,0|1,0,0]=3 6295 B16R0.303 C=CCNCCCCCCCCCCCCC 34a_100011215765_100015514636 [1,1,0,0,0,0|1,0,0]=3 6296 B16R0.303 C=CCNCCCCCCCCCCCCO 2230a_100000066677_100000210623 [1,1,0,0,0,0|2,0,0]=4 6297 B16R0.303 C=CCNCCCCCCCCCCCCO 2230a_100020586998_100009813331 [1,1,0,0,0,0|2,0,0]=4 6298 B16R0.303 C=CCNCCCCCCCCCCCCO 34a_100000066677_100015514636 [1,1,0,0,0,0|2,0,0]=4 6299 B16R0.303 C=CCOCCCCCCCCCCCCBr 34a_100009813331_100015514636 [1,1,0,0,0,0|2,0,0]=4 6300 B16R0.303 C=CCOCCCCCCCCCCCCBr 7a_100009813331_100015514636 [1,1,0,0,0,0|2,0,0]=4 6301 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_100000185773_100015514636 [1,1,0,0,0,0|1,0,0]=3 6302 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_200000210373_100000210684 [1,1,0,0,0,0|1,0,0]=3 6303 B16R0.303 C=CCOCCCCCCCCCCCCC 7a_100000185773_100015514636 [1,1,0,0,0,0|1,0,0]=3 6304 B16R0.303 C=CCOCCCCCCCCCCCCN 34a_100000066677_100015514636 [1,1,0,0,0,0|2,0,0]=4 6305 B16R0.303 C=CCOCCCCCCCCCCCCO 34a_200000210373_100009813331 [1,1,0,0,0,0|2,0,0]=4 6306 B16R0.303 C=CCOCCOCCCCCCCCCC 34a_100000037705_100000210320 [1,1,0,0,0,0|2,0,0]=4 6307 B16R0.303 C=CCOCCOCCCCCCCCCC 7a_100000037705_100000210320 [1,1,0,0,0,0|2,0,0]=4 6308 B16R0.303 C=CCOCCSCCCCCCCCCC 34a_100011628728_100015514636 [1,1,0,0,0,0|2,0,0]=4 6309 B16R0.303 C=CCOCCSCCCCCCCCCC 7a_100011628728_100015514636 [1,1,0,0,0,0|2,0,0]=4 6310 B16R0.303 C=CCSCCCCCCCCCCCCO 62a_100009813331_100000210623 [1,1,0,0,0,0|2,0,0]=4 6311 B16R0.303 C=COCCCCOCCCCCCCCC 34a_100000031558_100011214924 [1,1,0,0,0,0|2,0,0]=4 6312 B16R0.303 C=COCCCCOCCCCCCCCC 7a_100000031558_100000210328 [1,1,0,0,0,0|2,0,0]=4 6313 B16R0.303 C=COCCCNCCCCCCCCCC 2230a_100000210767_100000210320 [1,1,0,0,0,0|2,0,0]=4 6314 B16R0.303 C=COCCCNCCCCCCCCCC 34a_100000210767_100000210320 [1,1,0,0,0,0|2,0,0]=4 6315 B16R0.303 C=COCCNCCCCCCCCCCC 2230a_200011215754_100000039644 [1,1,0,0,0,0|2,0,0]=4 6316 B16R0.303 C=COCCNCCCCCCCCCCC 34a_200011215754_100000039644 [1,1,0,0,0,0|2,0,0]=4 6317 B16R0.303 C=COCCOCCCCCCCCCCC 34a_100000033082_100011215454 [1,1,0,0,0,0|2,0,0]=4 6318 B16R0.303 C=COCCOCCCCCCCCCCC 34a_100000210809_100000039644 [1,1,0,0,0,0|2,0,0]=4 6319 B16R0.303 C=COCCOCCCCCCCCCCC 7a_100000210809_100000039644 [1,1,0,0,0,0|2,0,0]=4 6320 B16R0.303 C=COCCSCCCCCCCCCCC 62a_100000039644_100011215454 [1,1,0,0,0,0|2,0,0]=4 6321 B16R0.303 CC/C=C\CCCCCOCCCCCC=O 7a_100016268722_100000139337 [1,1,0,0,0,0|0,0,2]=4 6322 B16R0.303 CC=CCCCOCCCCCCCCCC 34a_100020645299_100000210320 [1,1,0,0,0,0|1,0,1]=4 6323 B16R0.303 CC=CCNCCCCCCCCCCCC 2230a_100000210451_100000070051 [1,1,0,0,0,0|1,0,1]=4 6324 B16R0.303 CC=CCNCCCCCCCCCCCC 34a_100000210451_100000070051 [1,1,0,0,0,0|1,0,1]=4 6325 B16R0.303 CC=CCOCCCCCCCCCCCC 34a_100000210810_100000070051 [1,1,0,0,0,0|1,0,1]=4 6326 B16R0.303 CC=CCOCCCCCCCCCCCC 7a_100000210810_100000070051 [1,1,0,0,0,0|1,0,1]=4 6327 B16R0.303 CCC#CCCCCCCSCCCCC=O 62a_100000139335_200000036426 [1,1,0,0,0,0|0,0,2]=4 6328 B16R0.303 CCC#CCCCCCCSCCCCC=O 62a_200000036426_100000139335 [1,1,0,0,0,0|0,0,2]=4 6329 B16R0.303 CCCC/C=C/CCCCOCCCCC=O 7a_200020645093_100000139335 [1,1,0,0,0,0|0,0,2]=4 6330 B16R0.303 CCCCC#CCCCCOCCCCC=O 7a_200000066234_100000139335 [1,1,0,0,0,0|0,0,2]=4 6331 B16R0.303 CCCCC#CCCCSCCCCCC=O 62a_100000139337_200000047210 [1,1,0,0,0,0|0,0,2]=4 6332 B16R0.303 CCCCC#CCCCSCCCCCC=O 62a_200000047210_100000139337 [1,1,0,0,0,0|0,0,2]=4 6333 B16R0.303 CCCCC/C=C\CCCOCCCCC=O 7a_100020655193_100000139335 [1,1,0,0,0,0|0,0,2]=4 6334 B16R0.303 CCCCC/C=C\CCOCCCCCC=O 7a_100016277358_100000139337 [1,1,0,0,0,0|0,0,2]=4 6335 B16R0.303 CCCCCC#CCCOCCCCCC=O 7a_200000042877_100000139337 [1,1,0,0,0,0|0,0,2]=4 6336 B16R0.303 CCCCCC/C=C/COCCCCCC=O 7a_200016276170_100000139337 [1,1,0,0,0,0|0,0,2]=4 6337 B16R0.303 CCCCCCC#CCCOCCCCC=O 7a_200000033163_100000139335 [1,1,0,0,0,0|0,0,2]=4 6338 B16R0.303 CCCCCCC#CCOCCCCCC=O 7a_200000037284_100000139337 [1,1,0,0,0,0|0,0,2]=4 6339 B16R0.303 CCCCCCCC#CCOCCCCC=O 7a_200000061759_100000139335 [1,1,0,0,0,0|0,0,2]=4 6340 B16R0.303 CCCCCCCC/C=C/COCCCC=O 7a_200020667288_200011292268 [1,1,0,0,0,0|0,0,2]=4 6341 B16R0.303 CCCCCCCCCC/C=C/COCC=O 34a_200025761149_200009817547 [1,1,0,0,0,0|0,0,2]=4 6342 B16R0.303 CCCCCCCCCC/C=C/COCC=O 7a_200025761149_200015260668 [1,1,0,0,0,0|0,0,2]=4 6343 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_106832991635_100000210322 [1,1,0,0,0,0|1,0,1]=4 6344 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_200000297553_200000210301 [1,1,0,0,0,0|1,0,1]=4 6345 B16R0.303 CCCCCCCCCCCCCCCNC 270004a_106832991635_100012088177 [1,1,0,0,0,0|1,0,1]=4 6346 B16R0.303 CCCCCCCCCCCCCCCNC 34a_100102657272_100000210322 [1,1,0,0,0,0|1,0,1]=4 6347 B16R0.303 CCCCCCCCCCCCCCCNC 34a_200000297553_200000210301 [1,1,0,0,0,0|1,0,1]=4 6348 B16R0.303 CCCCCCCCCCCCCCCNC 7a_106832991635_100000210322 [1,1,0,0,0,0|1,0,1]=4 6349 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 2230a_200000297553_200025704644 [1,1,0,0,0,0|1,0,1]=4 6350 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 34a_200000297553_200025704644 [1,1,0,0,0,0|1,0,1]=4 6351 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100000272386_200000210301 [1,1,0,0,0,0|0,0,1]=3 6352 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100138415774_100000210322 [1,1,0,0,0,0|0,0,1]=3 6353 B16R0.303 CCCCCCCCCCCCCCCOC 7a_100000272386_200000210301 [1,1,0,0,0,0|0,0,1]=3 6354 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 34a_100000272386_200025704644 [1,1,0,0,0,0|0,0,1]=3 6355 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 7a_100000272386_200025704644 [1,1,0,0,0,0|0,0,1]=3 6356 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100011217771_100000210202 [1,1,0,0,0,0|1,0,1]=4 6357 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100015525214_100011215471 [1,1,0,0,0,0|1,0,1]=4 6358 B16R0.303 CCCCCCCCCCCCCCNCC 270004a_100015525214_200011216147 [1,1,0,0,0,0|1,0,1]=4 6359 B16R0.303 CCCCCCCCCCCCCCNCC 34a_100011217771_100000210202 [1,1,0,0,0,0|1,0,1]=4 6360 B16R0.303 CCCCCCCCCCCCCCNCF 34a_100011217771_100015361967 [1,1,0,0,0,0|1,0,1]=4 6361 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100000210739_100000210202 [1,1,0,0,0,0|1,0,1]=4 6362 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100121572206_100011215471 [1,1,0,0,0,0|1,0,1]=4 6363 B16R0.303 CCCCCCCCCCCCCCOCC 7a_100000210739_100000210202 [1,1,0,0,0,0|1,0,1]=4 6364 B16R0.303 CCCCCCCCCCCCCCOCF 34a_100000210739_100015361967 [1,1,0,0,0,0|1,0,1]=4 6365 B16R0.303 CCCCCCCCCCCCCCOCF 7a_100000210739_100015361967 [1,1,0,0,0,0|1,0,1]=4 6366 B16R0.303 CCCCCCCCCCCCCNCC#N 2230a_100011215765_100011215382 [1,1,0,0,0,0|1,0,1]=4 6367 B16R0.303 CCCCCCCCCCCCCNCC=O 2230a_100011215765_200015260668 [1,1,0,0,0,0|0,0,0]=2 6368 B16R0.303 CCCCCCCCCCCCCNCC=O 34a_100011215765_200009817547 [1,1,0,0,0,0|0,0,0]=2 6369 B16R0.303 CCCCCCCCCCCCCNCCC 2230a_100011215765_100000210303 [1,1,0,0,0,0|1,0,1]=4 6370 B16R0.303 CCCCCCCCCCCCCNCCC 270004a_100020643023_200011215488 [1,1,0,0,0,0|1,0,1]=4 6371 B16R0.303 CCCCCCCCCCCCCNCCC 34a_100011215765_100000210303 [1,1,0,0,0,0|1,0,1]=4 6372 B16R0.303 CCCCCCCCCCCCCNCCF 2230a_100011215765_100011217306 [1,1,0,0,0,0|1,0,1]=4 6373 B16R0.303 CCCCCCCCCCCCCNCCF 34a_100000724931_100000210684 [1,1,0,0,0,0|1,0,1]=4 6374 B16R0.303 CCCCCCCCCCCCCNCCF 34a_100011215765_100011217306 [1,1,0,0,0,0|1,0,1]=4 6375 B16R0.303 CCCCCCCCCCCCCNCCO 2230a_100011215765_100000211926 [1,1,0,0,0,0|0,0,1]=3 6376 B16R0.303 CCCCCCCCCCCCCNCCO 2230a_100016997473_100000210684 [1,1,0,0,0,0|0,0,1]=3 6377 B16R0.303 CCCCCCCCCCCCCNCCO 270004a_100000210304_200011215488 [1,1,0,0,0,0|0,0,1]=3 6378 B16R0.303 CCCCCCCCCCCCCNCCO 34a_100011215765_100000211926 [1,1,0,0,0,0|0,0,1]=3 6379 B16R0.303 CCCCCCCCCCCCCNCCO 34a_100016990907_100000210684 [1,1,0,0,0,0|0,0,1]=3 6380 B16R0.303 CCCCCCCCCCCCCNCOC 2230a_100011215765_100000766300 [1,1,0,0,0,0|1,0,1]=4 6381 B16R0.303 CCCCCCCCCCCCCNCSC 2230a_100011215765_100011218213 [1,1,0,0,0,0|2,0,0]=4 6382 B16R0.303 CCCCCCCCCCCCCNCSC 34a_100011215765_100011218213 [1,1,0,0,0,0|2,0,0]=4 6383 B16R0.303 CCCCCCCCCCCCCOCC#N 7a_100000185773_100011215382 [1,1,0,0,0,0|1,0,1]=4 6384 B16R0.303 CCCCCCCCCCCCCOCC=O 34a_100000185773_200009817547 [1,1,0,0,0,0|0,0,0]=2 6385 B16R0.303 CCCCCCCCCCCCCOCC=O 7a_100000185773_200015260668 [1,1,0,0,0,0|0,0,0]=2 6386 B16R0.303 CCCCCCCCCCCCCOCCBr 34a_100000211926_100000210684 [1,1,0,0,0,0|1,0,1]=4 6387 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000185773_100000210303 [1,1,0,0,0,0|1,0,1]=4 6388 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000210258_100000210684 [1,1,0,0,0,0|1,0,1]=4 6389 B16R0.303 CCCCCCCCCCCCCOCCC 7a_100000185773_100000210303 [1,1,0,0,0,0|1,0,1]=4 6390 B16R0.303 CCCCCCCCCCCCCOCCF 34a_100000185773_100011217306 [1,1,0,0,0,0|1,0,1]=4 6391 B16R0.303 CCCCCCCCCCCCCOCCF 7a_100000185773_100011217306 [1,1,0,0,0,0|1,0,1]=4 6392 B16R0.303 CCCCCCCCCCCCCOCCN 34a_100000210304_100000210684 [1,1,0,0,0,0|1,0,1]=4 6393 B16R0.303 CCCCCCCCCCCCCOCCO 34a_100000185773_100000211926 [1,1,0,0,0,0|0,0,1]=3 6394 B16R0.303 CCCCCCCCCCCCCOCCO 7a_100000185773_100000211926 [1,1,0,0,0,0|0,0,1]=3 6395 B16R0.303 CCCCCCCCCCCCCOCSC 34a_100000185773_100011218213 [1,1,0,0,0,0|2,0,0]=4 6396 B16R0.303 CCCCCCCCCCCCCSCC#N 62a_100011215382_100011934334 [1,1,0,0,0,0|1,0,1]=4 6397 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [1,1,0,0,0,0|0,0,0]=2 6398 B16R0.303 CCCCCCCCCCCCCSCCO 62a_100000211926_100011934334 [1,1,0,0,0,0|0,0,1]=3 6399 B16R0.303 CCCCCCCCCCCCCSCOC 62a_100000766300_100011934334 [1,1,0,0,0,0|1,0,1]=4 6400 B16R0.303 CCCCCCCCCCCCNCCC#N 2230a_100000210451_100011215226 [1,1,0,0,0,0|1,0,1]=4 6401 B16R0.303 CCCCCCCCCCCCNCCC#N 270004a_100000720768_100011218549 [1,1,0,0,0,0|1,0,1]=4 6402 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000102301_100011215052 [1,1,0,0,0,0|1,0,1]=4 6403 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000210451_100000210211 [1,1,0,0,0,0|1,0,1]=4 6404 B16R0.303 CCCCCCCCCCCCNCCCC 270004a_100000102301_100011218549 [1,1,0,0,0,0|1,0,1]=4 6405 B16R0.303 CCCCCCCCCCCCNCCCC 34a_100000210451_100000210210 [1,1,0,0,0,0|1,0,1]=4 6406 B16R0.303 CCCCCCCCCCCCNCCCC 7a_106832991798_100000759014 [1,1,0,0,0,0|1,0,1]=4 6407 B16R0.303 CCCCCCCCCCCCNCCCF 2230a_100000210451_100011934791 [1,1,0,0,0,0|1,0,1]=4 6408 B16R0.303 CCCCCCCCCCCCNCCCF 2230a_100015189416_100011215052 [1,1,0,0,0,0|1,0,1]=4 6409 B16R0.303 CCCCCCCCCCCCNCCCF 270004a_100015189416_100011218549 [1,1,0,0,0,0|1,0,1]=4 6410 B16R0.303 CCCCCCCCCCCCNCCCF 34a_100000210451_100011934791 [1,1,0,0,0,0|1,0,1]=4 6411 B16R0.303 CCCCCCCCCCCCNCCCF 34a_100015189416_100000759014 [1,1,0,0,0,0|1,0,1]=4 6412 B16R0.303 CCCCCCCCCCCCNCCCO 2230a_100000210451_100000230001 [1,1,0,0,0,0|0,0,1]=3 6413 B16R0.303 CCCCCCCCCCCCNCCCO 270004a_100000182051_100011218549 [1,1,0,0,0,0|0,0,1]=3 6414 B16R0.303 CCCCCCCCCCCCNCCCO 34a_100000210451_100000230001 [1,1,0,0,0,0|0,0,1]=3 6415 B16R0.303 CCCCCCCCCCCCNCCOC 2230a_100000209980_100011215052 [1,1,0,0,0,0|1,0,1]=4 6416 B16R0.303 CCCCCCCCCCCCNCCOC 2230a_100000210451_100011201679 [1,1,0,0,0,0|1,0,1]=4 6417 B16R0.303 CCCCCCCCCCCCNCCOC 270004a_100000209980_100011218549 [1,1,0,0,0,0|1,0,1]=4 6418 B16R0.303 CCCCCCCCCCCCNCCOC 34a_100000210451_100011201679 [1,1,0,0,0,0|1,0,1]=4 6419 B16R0.303 CCCCCCCCCCCCNCCSC 2230a_100000210451_100000751147 [1,1,0,0,0,0|2,0,0]=4 6420 B16R0.303 CCCCCCCCCCCCNCCSC 2230a_100020590264_100011215052 [1,1,0,0,0,0|2,0,0]=4 6421 B16R0.303 CCCCCCCCCCCCNCCSC 270004a_100020590264_100011218549 [1,1,0,0,0,0|2,0,0]=4 6422 B16R0.303 CCCCCCCCCCCCNCCSC 34a_100000210451_100000212216 [1,1,0,0,0,0|2,0,0]=4 6423 B16R0.303 CCCCCCCCCCCCOCCC#N 7a_100000210810_100000184422 [1,1,0,0,0,0|1,0,1]=4 6424 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [1,1,0,0,0,0|1,0,1]=4 6425 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [1,1,0,0,0,0|1,0,1]=4 6426 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [1,1,0,0,0,0|1,0,1]=4 6427 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [1,1,0,0,0,0|1,0,1]=4 6428 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [1,1,0,0,0,0|1,0,1]=4 6429 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [1,1,0,0,0,0|1,0,1]=4 6430 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [1,1,0,0,0,0|1,0,1]=4 6431 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [1,1,0,0,0,0|1,0,1]=4 6432 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [1,1,0,0,0,0|1,0,1]=4 6433 B16R0.303 CCCCCCCCCCCCOCCCN 34a_100000182051_100000759014 [1,1,0,0,0,0|1,0,1]=4 6434 B16R0.303 CCCCCCCCCCCCOCCCO 34a_100000210810_100000230001 [1,1,0,0,0,0|0,0,1]=3 6435 B16R0.303 CCCCCCCCCCCCOCCCO 7a_100000210810_100011215043 [1,1,0,0,0,0|0,0,1]=3 6436 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210237_100000759014 [1,1,0,0,0,0|1,0,1]=4 6437 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210810_100011201679 [1,1,0,0,0,0|1,0,1]=4 6438 B16R0.303 CCCCCCCCCCCCOCCOC 7a_100000210810_100000233755 [1,1,0,0,0,0|1,0,1]=4 6439 B16R0.303 CCCCCCCCCCCCOCCON 34a_100000700252_100000759014 [1,1,0,0,0,0|1,0,1]=4 6440 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000210810_100000212216 [1,1,0,0,0,0|2,0,0]=4 6441 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000230434_100000759014 [1,1,0,0,0,0|2,0,0]=4 6442 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000210810_100000212216 [1,1,0,0,0,0|2,0,0]=4 6443 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000230434_100000759014 [1,1,0,0,0,0|2,0,0]=4 6444 B16R0.303 CCCCCCCCCCCCSCCC#N 62a_100011215226_100000759014 [1,1,0,0,0,0|1,0,1]=4 6445 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [1,1,0,0,0,0|0,0,1]=3 6446 B16R0.303 CCCCCCCCCCCCSCCOC 34a_100005618841_200000210301 [1,1,0,0,0,0|1,0,1]=4 6447 B16R0.303 CCCCCCCCCCCCSCCOC 62a_100000233755_100000759014 [1,1,0,0,0,0|1,0,1]=4 6448 B16R0.303 CCCCCCCCCCCCSCCOC 7a_100005618841_200000210301 [1,1,0,0,0,0|1,0,1]=4 6449 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 34a_100005618841_200025704644 [1,1,0,0,0,0|1,0,1]=4 6450 B16R0.303 CCCCCCCCCCCCSCCO[13CH3] 7a_100005618841_200025704644 [1,1,0,0,0,0|1,0,1]=4 6451 B16R0.303 CCCCCCCCCCCNCCCC#N 2230a_200011215754_100000687738 [1,1,0,0,0,0|1,0,1]=4 6452 B16R0.303 CCCCCCCCCCCNCCCC=O 2230a_200011215754_200011292268 [1,1,0,0,0,0|0,0,0]=2 6453 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_100000209983_100011215454 [1,1,0,0,0,0|1,0,1]=4 6454 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_200011215754_100000210326 [1,1,0,0,0,0|1,0,1]=4 6455 B16R0.303 CCCCCCCCCCCNCCCCC 34a_200011215754_100000718602 [1,1,0,0,0,0|1,0,1]=4 6456 B16R0.303 CCCCCCCCCCCNCCCCF 2230a_200011215754_100000729493 [1,1,0,0,0,0|1,0,1]=4 6457 B16R0.303 CCCCCCCCCCCNCCCCF 34a_200011215754_100000729493 [1,1,0,0,0,0|1,0,1]=4 6458 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_100000750430_100011215454 [1,1,0,0,0,0|0,0,1]=3 6459 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_200011215754_100000210776 [1,1,0,0,0,0|0,0,1]=3 6460 B16R0.303 CCCCCCCCCCCNCCCCO 34a_100000750430_100011215454 [1,1,0,0,0,0|0,0,1]=3 6461 B16R0.303 CCCCCCCCCCCNCCCCO 34a_200011215754_100011216708 [1,1,0,0,0,0|0,0,1]=3 6462 B16R0.303 CCCCCCCCCCCNCCCOC 2230a_200011215754_100000740836 [1,1,0,0,0,0|1,0,1]=4 6463 B16R0.303 CCCCCCCCCCCNCCCOC 34a_100150723488_100011215454 [1,1,0,0,0,0|1,0,1]=4 6464 B16R0.303 CCCCCCCCCCCNCCCOC 34a_200011215754_100000740836 [1,1,0,0,0,0|1,0,1]=4 6465 B16R0.303 CCCCCCCCCCCNCCCSC 2230a_100000749238_100011215454 [1,1,0,0,0,0|2,0,0]=4 6466 B16R0.303 CCCCCCCCCCCOCCCC#N 7a_100000210809_100000687738 [1,1,0,0,0,0|1,0,1]=4 6467 B16R0.303 CCCCCCCCCCCOCCCC=O 7a_100000210809_200011292268 [1,1,0,0,0,0|0,0,0]=2 6468 B16R0.303 CCCCCCCCCCCOCCCCBr 34a_100011216708_100011215454 [1,1,0,0,0,0|1,0,1]=4 6469 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210253_100011215454 [1,1,0,0,0,0|1,0,1]=4 6470 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210809_100000718602 [1,1,0,0,0,0|1,0,1]=4 6471 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210253_100011215454 [1,1,0,0,0,0|1,0,1]=4 6472 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210809_100000210326 [1,1,0,0,0,0|1,0,1]=4 6473 B16R0.303 CCCCCCCCCCCOCCCCCl 34a_100000210776_100011215454 [1,1,0,0,0,0|1,0,1]=4 6474 B16R0.303 CCCCCCCCCCCOCCCCCl 7a_100000210776_100011215454 [1,1,0,0,0,0|1,0,1]=4 6475 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100000210809_100000729493 [1,1,0,0,0,0|1,0,1]=4 6476 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100011995726_100011215454 [1,1,0,0,0,0|1,0,1]=4 6477 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100000210809_100000729493 [1,1,0,0,0,0|1,0,1]=4 6478 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100011995726_100011215454 [1,1,0,0,0,0|1,0,1]=4 6479 B16R0.303 CCCCCCCCCCCOCCCCI 34a_200012148704_100011215454 [1,1,0,0,0,0|1,0,1]=4 6480 B16R0.303 CCCCCCCCCCCOCCCCN 34a_100000750430_100011215454 [1,1,0,0,0,0|1,0,1]=4 6481 B16R0.303 CCCCCCCCCCCOCCCCO 34a_100000210809_100011216708 [1,1,0,0,0,0|0,0,1]=3 6482 B16R0.303 CCCCCCCCCCCOCCCCO 7a_100000210809_100000210776 [1,1,0,0,0,0|0,0,1]=3 6483 B16R0.303 CCCCCCCCCCCOCCCNC 34a_100000213112_100011215454 [1,1,0,0,0,0|2,0,0]=4 6484 B16R0.303 CCCCCCCCCCCOCCCOC 34a_100000210809_100000740836 [1,1,0,0,0,0|1,0,1]=4 6485 B16R0.303 CCCCCCCCCCCOCCCOC 34a_100000740835_100011215454 [1,1,0,0,0,0|1,0,1]=4 6486 B16R0.303 CCCCCCCCCCCOCCCOC 7a_100000210809_100000740836 [1,1,0,0,0,0|1,0,1]=4 6487 B16R0.303 CCCCCCCCCCCOCCCSC 34a_100000690336_100011215454 [1,1,0,0,0,0|2,0,0]=4 6488 B16R0.303 CCCCCCCCCCCOCCCSC 7a_100000690336_100011215454 [1,1,0,0,0,0|2,0,0]=4 6489 B16R0.303 CCCCCCCCCCCSCCCC#N 62a_100000687738_100011215454 [1,1,0,0,0,0|1,0,1]=4 6490 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [1,1,0,0,0,0|0,0,0]=2 6491 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [1,1,0,0,0,0|0,0,1]=3 6492 B16R0.303 CCCCCCCCCCCSCCCOC 62a_100000709357_100011215454 [1,1,0,0,0,0|1,0,1]=4 6493 B16R0.303 CCCCCCCCCCNCCCCC#N 2230a_100000684558_100000211819 [1,1,0,0,0,0|1,0,1]=4 6494 B16R0.303 CCCCCCCCCCNCCCCC=O 2230a_100000684558_100000139335 [1,1,0,0,0,0|0,0,0]=2 6495 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000210581_100000210320 [1,1,0,0,0,0|1,0,1]=4 6496 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000684558_100000210314 [1,1,0,0,0,0|1,0,1]=4 6497 B16R0.303 CCCCCCCCCCNCCCCCC 34a_100000684558_100000210314 [1,1,0,0,0,0|1,0,1]=4 6498 B16R0.303 CCCCCCCCCCNCCCCCF 2230a_100000684558_100000729378 [1,1,0,0,0,0|1,0,1]=4 6499 B16R0.303 CCCCCCCCCCNCCCCCF 34a_100000684558_100000729378 [1,1,0,0,0,0|1,0,1]=4 6500 B16R0.303 CCCCCCCCCCNCCCCCO 2230a_100000684558_100000746330 [1,1,0,0,0,0|0,0,1]=3 6501 B16R0.303 CCCCCCCCCCNCCCCCO 2230a_100000762737_100000210320 [1,1,0,0,0,0|0,0,1]=3 6502 B16R0.303 CCCCCCCCCCNCCCCCO 34a_100000684558_100000746330 [1,1,0,0,0,0|0,0,1]=3 6503 B16R0.303 CCCCCCCCCCNCCCCCO 34a_100000762737_100000210320 [1,1,0,0,0,0|0,0,1]=3 6504 B16R0.303 CCCCCCCCCCNCCCCOC 2230a_100000684558_100000730899 [1,1,0,0,0,0|1,0,1]=4 6505 B16R0.303 CCCCCCCCCCNCCCCOC 34a_100000684558_100000755781 [1,1,0,0,0,0|1,0,1]=4 6506 B16R0.303 CCCCCCCCCCNCCOCCO 2230a_100000211614_100000210320 [1,1,0,0,0,0|1,0,1]=4 6507 B16R0.303 CCCCCCCCCCNCCOCCO 2230a_100000684558_100011215305 [1,1,0,0,0,0|1,0,1]=4 6508 B16R0.303 CCCCCCCCCCNCCOCCO 34a_100000211614_100000210320 [1,1,0,0,0,0|1,0,1]=4 6509 B16R0.303 CCCCCCCCCCNCCOCCO 34a_100000684558_100000692535 [1,1,0,0,0,0|1,0,1]=4 6510 B16R0.303 CCCCCCCCCCNCCSCCO 2230a_100011219999_100000210320 [1,1,0,0,0,0|1,0,1]=4 6511 B16R0.303 CCCCCCCCCCOCCCCC#N 7a_100000210711_100000211819 [1,1,0,0,0,0|1,0,1]=4 6512 B16R0.303 CCCCCCCCCCOCCCCC=O 7a_100000210711_100000139335 [1,1,0,0,0,0|0,0,0]=2 6513 B16R0.303 CCCCCCCCCCOCCCCCBr 34a_100000746331_100000210320 [1,1,0,0,0,0|1,0,1]=4 6514 B16R0.303 CCCCCCCCCCOCCCCCBr 7a_100000746331_100000210320 [1,1,0,0,0,0|1,0,1]=4 6515 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210259_100000210320 [1,1,0,0,0,0|1,0,1]=4 6516 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210711_100000210314 [1,1,0,0,0,0|1,0,1]=4 6517 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210259_100000210320 [1,1,0,0,0,0|1,0,1]=4 6518 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210711_100000210314 [1,1,0,0,0,0|1,0,1]=4 6519 B16R0.303 CCCCCCCCCCOCCCCCCl 34a_100000746330_100000210320 [1,1,0,0,0,0|1,0,1]=4 6520 B16R0.303 CCCCCCCCCCOCCCCCCl 7a_100000746330_100000210320 [1,1,0,0,0,0|1,0,1]=4 6521 B16R0.303 CCCCCCCCCCOCCCCCF 34a_100000210711_100000729378 [1,1,0,0,0,0|1,0,1]=4 6522 B16R0.303 CCCCCCCCCCOCCCCCF 7a_100000210711_100000729378 [1,1,0,0,0,0|1,0,1]=4 6523 B16R0.303 CCCCCCCCCCOCCCCCI 34a_200012148887_100000210320 [1,1,0,0,0,0|1,0,1]=4 6524 B16R0.303 CCCCCCCCCCOCCCCCI 7a_200012148887_100000210320 [1,1,0,0,0,0|1,0,1]=4 6525 B16R0.303 CCCCCCCCCCOCCCCCN 34a_100000762737_100000210320 [1,1,0,0,0,0|1,0,1]=4 6526 B16R0.303 CCCCCCCCCCOCCCCCO 34a_100000210711_100000746330 [1,1,0,0,0,0|0,0,1]=3 6527 B16R0.303 CCCCCCCCCCOCCCCCO 7a_100000210711_100000746330 [1,1,0,0,0,0|0,0,1]=3 6528 B16R0.303 CCCCCCCCCCOCCCCOC 34a_100000210711_100000755781 [1,1,0,0,0,0|1,0,1]=4 6529 B16R0.303 CCCCCCCCCCOCCCCOC 34a_100000740925_100000210320 [1,1,0,0,0,0|1,0,1]=4 6530 B16R0.303 CCCCCCCCCCOCCCCOC 34a_200010776780_200000210301 [1,1,0,0,0,0|1,0,1]=4 6531 B16R0.303 CCCCCCCCCCOCCCCOC 7a_100000210711_100000730899 [1,1,0,0,0,0|1,0,1]=4 6532 B16R0.303 CCCCCCCCCCOCCCCOC 7a_200010776780_200000210301 [1,1,0,0,0,0|1,0,1]=4 6533 B16R0.303 CCCCCCCCCCOCCCCO[13CH3] 34a_200010776780_200025704644 [1,1,0,0,0,0|1,0,1]=4 6534 B16R0.303 CCCCCCCCCCOCCCCO[13CH3] 7a_200010776780_200025704644 [1,1,0,0,0,0|1,0,1]=4 6535 B16R0.303 CCCCCCCCCCOCCCCSC 34a_100011217163_100000210320 [1,1,0,0,0,0|2,0,0]=4 6536 B16R0.303 CCCCCCCCCCOCCCCSC 7a_100011217163_100000210320 [1,1,0,0,0,0|2,0,0]=4 6537 B16R0.303 CCCCCCCCCCOCCOCCO 34a_100000210711_100000692535 [1,1,0,0,0,0|1,0,1]=4 6538 B16R0.303 CCCCCCCCCCOCCOCCO 7a_100000210711_100011215305 [1,1,0,0,0,0|1,0,1]=4 6539 B16R0.303 CCCCCCCCCCSCCCCC#N 62a_100011219923_100000210320 [1,1,0,0,0,0|1,0,1]=4 6540 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [1,1,0,0,0,0|0,0,0]=2 6541 B16R0.303 CCCCCCCCCCSCCCCCO 62a_100000746330_100000210320 [1,1,0,0,0,0|0,0,1]=3 6542 B16R0.303 CCCCCCCCCCSCCCCOC 62a_100000730899_100000210320 [1,1,0,0,0,0|1,0,1]=4 6543 B16R0.303 CCCCCCCCCCSCCOCC=O 34a_100011628728_200009817547 [1,1,0,0,0,0|1,0,0]=3 6544 B16R0.303 CCCCCCCCCCSCCOCC=O 7a_100011628728_200015260668 [1,1,0,0,0,0|1,0,0]=3 6545 B16R0.303 CCCCCCCCCCSCCOCCO 34a_100011628728_100000211926 [1,1,0,0,0,0|1,0,1]=4 6546 B16R0.303 CCCCCCCCCCSCCOCCO 62a_100011215305_100000210320 [1,1,0,0,0,0|1,0,1]=4 6547 B16R0.303 CCCCCCCCCCSCCOCCO 7a_100011628728_100000211926 [1,1,0,0,0,0|1,0,1]=4 6548 B16R0.303 CCCCCCCCCNCCCCCC#N 2230a_100000212291_100009813376 [1,1,0,0,0,0|1,0,1]=4 6549 B16R0.303 CCCCCCCCCNCCCCCC=O 2230a_100000212291_100000139337 [1,1,0,0,0,0|0,0,0]=2 6550 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000212291_100000210681 [1,1,0,0,0,0|1,0,1]=4 6551 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000229938_100011214924 [1,1,0,0,0,0|1,0,1]=4 6552 B16R0.303 CCCCCCCCCNCCCCCCC 34a_100000212291_100000210614 [1,1,0,0,0,0|1,0,1]=4 6553 B16R0.303 CCCCCCCCCNCCCCCCF 2230a_100000212291_100015922095 [1,1,0,0,0,0|1,0,1]=4 6554 B16R0.303 CCCCCCCCCNCCCCCCF 34a_100000212291_100015922095 [1,1,0,0,0,0|1,0,1]=4 6555 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000212291_100000766143 [1,1,0,0,0,0|0,0,1]=3 6556 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000686447_100011214924 [1,1,0,0,0,0|0,0,1]=3 6557 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000212291_100000766143 [1,1,0,0,0,0|0,0,1]=3 6558 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000686447_100011214924 [1,1,0,0,0,0|0,0,1]=3 6559 B16R0.303 CCCCCCCCCNCCCCCOC 2230a_100000747528_100011214924 [1,1,0,0,0,0|1,0,1]=4 6560 B16R0.303 CCCCCCCCCNCCCCCOC 34a_100000747528_100011214924 [1,1,0,0,0,0|1,0,1]=4 6561 B16R0.303 CCCCCCCCCOCCCCCC#N 7a_100000210712_100009813376 [1,1,0,0,0,0|1,0,1]=4 6562 B16R0.303 CCCCCCCCCOCCCCCC=O 7a_100000210712_100000139337 [1,1,0,0,0,0|0,0,0]=2 6563 B16R0.303 CCCCCCCCCOCCCCCCBr 34a_100011215345_100011214924 [1,1,0,0,0,0|1,0,1]=4 6564 B16R0.303 CCCCCCCCCOCCCCCCBr 7a_100011215345_100000210328 [1,1,0,0,0,0|1,0,1]=4 6565 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210272_100011214924 [1,1,0,0,0,0|1,0,1]=4 6566 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210712_100000210614 [1,1,0,0,0,0|1,0,1]=4 6567 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210272_100000210328 [1,1,0,0,0,0|1,0,1]=4 6568 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210712_100000210614 [1,1,0,0,0,0|1,0,1]=4 6569 B16R0.303 CCCCCCCCCOCCCCCCCl 34a_100000766143_100011214924 [1,1,0,0,0,0|1,0,1]=4 6570 B16R0.303 CCCCCCCCCOCCCCCCCl 7a_100000766143_100000210328 [1,1,0,0,0,0|1,0,1]=4 6571 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000210712_100015922095 [1,1,0,0,0,0|1,0,1]=4 6572 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000732779_100011214924 [1,1,0,0,0,0|1,0,1]=4 6573 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000210712_100015922095 [1,1,0,0,0,0|1,0,1]=4 6574 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000732779_100000210328 [1,1,0,0,0,0|1,0,1]=4 6575 B16R0.303 CCCCCCCCCOCCCCCCN 34a_100000686447_100011214924 [1,1,0,0,0,0|1,0,1]=4 6576 B16R0.303 CCCCCCCCCOCCCCCCO 34a_100000210712_100000766143 [1,1,0,0,0,0|0,0,1]=3 6577 B16R0.303 CCCCCCCCCOCCCCCCO 7a_100000210712_100000766143 [1,1,0,0,0,0|0,0,1]=3 6578 B16R0.303 CCCCCCCCCOCCCCCNC 34a_100000722520_100011214924 [1,1,0,0,0,0|2,0,0]=4 6579 B16R0.303 CCCCCCCCCSCCCCCC#N 62a_100009813376_100000210670 [1,1,0,0,0,0|1,0,1]=4 6580 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [1,1,0,0,0,0|0,0,0]=2 6581 B16R0.303 CCCCCCCCCSCCCCCCO 62a_100000766143_100000210670 [1,1,0,0,0,0|0,0,1]=3 6582 B16R0.303 CCCCCCCCNCCCCCCC#N 2230a_100000229939_100009813337 [1,1,0,0,0,0|1,0,1]=4 6583 B16R0.303 CCCCCCCCNCCCCCCCC 2230a_100000229939_100000210759 [1,1,0,0,0,0|1,0,1]=4 6584 B16R0.303 CCCCCCCCNCCCCCCCC 34a_100000229939_100000210759 [1,1,0,0,0,0|1,0,1]=4 6585 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100000229939_100000760002 [1,1,0,0,0,0|0,0,1]=3 6586 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100011996573_100000210759 [1,1,0,0,0,0|0,0,1]=3 6587 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100000229939_100000760002 [1,1,0,0,0,0|0,0,1]=3 6588 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100011996573_100000210759 [1,1,0,0,0,0|0,0,1]=3 6589 B16R0.303 CCCCCCCCNCCCCCCOC 2230a_100000229939_100011998445 [1,1,0,0,0,0|1,0,1]=4 6590 B16R0.303 CCCCCCCCNCCCCCCOC 34a_100000229939_100011998445 [1,1,0,0,0,0|1,0,1]=4 6591 B16R0.303 CCCCCCCCNCCCOCCCO 2230a_100011310245_100000210759 [1,1,0,0,0,0|1,0,1]=4 6592 B16R0.303 CCCCCCCCNCCCOCCCO 34a_100011310245_100000210759 [1,1,0,0,0,0|1,0,1]=4 6593 B16R0.303 CCCCCCCCOCCCCCCC#N 7a_100000210232_100009813337 [1,1,0,0,0,0|1,0,1]=4 6594 B16R0.303 CCCCCCCCOCCCCCCCBr 34a_100000760002_100000210759 [1,1,0,0,0,0|1,0,1]=4 6595 B16R0.303 CCCCCCCCOCCCCCCCBr 7a_100000760002_100000210759 [1,1,0,0,0,0|1,0,1]=4 6596 B16R0.303 CCCCCCCCOCCCCCCCC 34a_100000210232_100000210759 [1,1,0,0,0,0|1,0,1]=4 6597 B16R0.303 CCCCCCCCOCCCCCCCC 7a_100000210232_100000210759 [1,1,0,0,0,0|1,0,1]=4 6598 B16R0.303 CCCCCCCCOCCCCCCCN 34a_100011996573_100000210759 [1,1,0,0,0,0|1,0,1]=4 6599 B16R0.303 CCCCCCCCOCCCCCCCO 34a_100000210232_100000760002 [1,1,0,0,0,0|0,0,1]=3 6600 B16R0.303 CCCCCCCCOCCCCCCCO 7a_100000210232_100000760002 [1,1,0,0,0,0|0,0,1]=3 6601 B16R0.303 CCCCCCCCOCCCCCCOC 34a_100000210232_100011998445 [1,1,0,0,0,0|1,0,1]=4 6602 B16R0.303 CCCCCCCCOCCCCCCOC 34a_200012092642_100000210759 [1,1,0,0,0,0|1,0,1]=4 6603 B16R0.303 CCCCCCCCOCCCCCCOC 7a_100000210232_100011998445 [1,1,0,0,0,0|1,0,1]=4 6604 B16R0.303 CCCCCCCCOCCCCCCOC 7a_200012092642_100000210759 [1,1,0,0,0,0|1,0,1]=4 6605 B16R0.303 CCCCCCCCSCCCCCCC#N 62a_100000210759_100009813337 [1,1,0,0,0,0|1,0,1]=4 6606 B16R0.303 CCCCCCCCSCCCCCCC#N 62a_100009813337_100000210317 [1,1,0,0,0,0|1,0,1]=4 6607 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000210759_100000760002 [1,1,0,0,0,0|0,0,1]=3 6608 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000760002_100000210317 [1,1,0,0,0,0|0,0,1]=3 6609 B16R0.303 CCCCCCCCSCCCCCCOC 62a_100000210759_100011998445 [1,1,0,0,0,0|1,0,1]=4 6610 B16R0.303 CCCCCCCCSCCCCCCOC 62a_100011998445_100000210317 [1,1,0,0,0,0|1,0,1]=4 6611 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_100000229938_100000033203 [1,1,0,0,0,0|0,0,1]=3 6612 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_102515433106_100000210681 [1,1,0,0,0,0|0,0,1]=3 6613 B16R0.303 CCCCCCCNCCCCCCCCO 34a_102515433106_100000210614 [1,1,0,0,0,0|0,0,1]=3 6614 B16R0.303 CCCCCCCOCCCCCCCCBr 34a_100009813846_100000210614 [1,1,0,0,0,0|1,0,1]=4 6615 B16R0.303 CCCCCCCOCCCCCCCCBr 7a_100009813846_100000210614 [1,1,0,0,0,0|1,0,1]=4 6616 B16R0.303 CCCCCCCOCCCCCCCCCl 34a_100000033203_100000210614 [1,1,0,0,0,0|1,0,1]=4 6617 B16R0.303 CCCCCCCOCCCCCCCCCl 7a_100000033203_100000210614 [1,1,0,0,0,0|1,0,1]=4 6618 B16R0.303 CCCCCCCOCCCCCCCCN 34a_102515433106_100000210614 [1,1,0,0,0,0|1,0,1]=4 6619 B16R0.303 CCCCCCCOCCCCCCCCO 34a_100000210272_100000033203 [1,1,0,0,0,0|0,0,1]=3 6620 B16R0.303 CCCCCCCOCCCCCCCCO 7a_100000210272_100000033203 [1,1,0,0,0,0|0,0,1]=3 6621 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [1,1,0,0,0,0|0,0,1]=3 6622 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [1,1,0,0,0,0|0,0,1]=3 6623 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000078944_100000210314 [1,1,0,0,0,0|0,0,1]=3 6624 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000210581_100009813782 [1,1,0,0,0,0|0,0,1]=3 6625 B16R0.303 CCCCCCNCCCCCCCCCO 34a_100000078944_100000210314 [1,1,0,0,0,0|0,0,1]=3 6626 B16R0.303 CCCCCCOCCCCCCCCCBr 34a_100009813782_100000210314 [1,1,0,0,0,0|1,0,1]=4 6627 B16R0.303 CCCCCCOCCCCCCCCCBr 7a_100009813782_100000210314 [1,1,0,0,0,0|1,0,1]=4 6628 B16R0.303 CCCCCCOCCCCCCCCCCl 34a_100009868337_100000210314 [1,1,0,0,0,0|1,0,1]=4 6629 B16R0.303 CCCCCCOCCCCCCCCCCl 7a_100009868337_100000210314 [1,1,0,0,0,0|1,0,1]=4 6630 B16R0.303 CCCCCCOCCCCCCCCCN 34a_100000078944_100000210314 [1,1,0,0,0,0|1,0,1]=4 6631 B16R0.303 CCCCCCOCCCCCCCCCO 34a_100000210259_100009813782 [1,1,0,0,0,0|0,0,1]=3 6632 B16R0.303 CCCCCCOCCCCCCCCCO 7a_100000210259_100009813782 [1,1,0,0,0,0|0,0,1]=3 6633 B16R0.303 CCCCCCOCCOCCCCCC=O 7a_100000691444_100000139337 [1,1,0,0,0,0|1,0,0]=3 6634 B16R0.303 CCCCCCOCCOCCCCCCO 34a_100000691444_100000766143 [1,1,0,0,0,0|1,0,1]=4 6635 B16R0.303 CCCCCCOCCOCCCCCCO 7a_100000691444_100000766143 [1,1,0,0,0,0|1,0,1]=4 6636 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [1,1,0,0,0,0|0,0,1]=3 6637 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [1,1,0,0,0,0|0,0,1]=3 6638 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000066964_100000210326 [1,1,0,0,0,0|0,0,1]=3 6639 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000209983_100009813290 [1,1,0,0,0,0|0,0,1]=3 6640 B16R0.303 CCCCCNCCCCCCCCCCO 34a_100000066964_100000718602 [1,1,0,0,0,0|0,0,1]=3 6641 B16R0.303 CCCCCNCCOCCCCCCCO 34a_100000224656_100000760002 [1,1,0,0,0,0|1,0,1]=4 6642 B16R0.303 CCCCCOCCCCCCCCCCBr 34a_100009813290_100000718602 [1,1,0,0,0,0|1,0,1]=4 6643 B16R0.303 CCCCCOCCCCCCCCCCBr 7a_100009813290_100000210326 [1,1,0,0,0,0|1,0,1]=4 6644 B16R0.303 CCCCCOCCCCCCCCCCCl 34a_200000033068_100000718602 [1,1,0,0,0,0|1,0,1]=4 6645 B16R0.303 CCCCCOCCCCCCCCCCCl 7a_200000033068_100000210326 [1,1,0,0,0,0|1,0,1]=4 6646 B16R0.303 CCCCCOCCCCCCCCCCN 34a_100000066964_100000718602 [1,1,0,0,0,0|1,0,1]=4 6647 B16R0.303 CCCCCOCCCCCCCCCCO 34a_100000210253_100009813290 [1,1,0,0,0,0|0,0,1]=3 6648 B16R0.303 CCCCCOCCCCCCCCCCO 7a_100000210253_100009813290 [1,1,0,0,0,0|0,0,1]=3 6649 B16R0.303 CCCCCOCCOCCCCCCCO 34a_100011215259_100000760002 [1,1,0,0,0,0|1,0,1]=4 6650 B16R0.303 CCCCCOCCOCCCCCCCO 7a_100011215259_100000760002 [1,1,0,0,0,0|1,0,1]=4 6651 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [1,1,0,0,0,0|0,0,1]=3 6652 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [1,1,0,0,0,0|0,0,1]=3 6653 B16R0.303 CCCCNCCCCCCCCCCCO 2230a_100000102301_100009812471 [1,1,0,0,0,0|0,0,1]=3 6654 B16R0.303 CCCCNCCCCCCCCCCCO 7a_106832991798_100009812471 [1,1,0,0,0,0|0,0,1]=3 6655 B16R0.303 CCCCNCCCCOCCCCCCO 34a_200011216965_100000766143 [1,1,0,0,0,0|1,0,1]=4 6656 B16R0.303 CCCCOCCCCCCCCCCCBr 34a_100009812471_100000210210 [1,1,0,0,0,0|1,0,1]=4 6657 B16R0.303 CCCCOCCCCCCCCCCCBr 7a_100009812471_100000210211 [1,1,0,0,0,0|1,0,1]=4 6658 B16R0.303 CCCCOCCCCCCCCCCCO 34a_100000210227_100009812471 [1,1,0,0,0,0|0,0,1]=3 6659 B16R0.303 CCCCOCCCCCCCCCCCO 7a_100000210227_100009812471 [1,1,0,0,0,0|0,0,1]=3 6660 B16R0.303 CCCCOCCCCOCCCCCC=O 7a_200000760531_100000139337 [1,1,0,0,0,0|1,0,0]=3 6661 B16R0.303 CCCCOCCCCOCCCCCCO 34a_200000760531_100000766143 [1,1,0,0,0,0|1,0,1]=4 6662 B16R0.303 CCCCOCCCCOCCCCCCO 7a_200000760531_100000766143 [1,1,0,0,0,0|1,0,1]=4 6663 B16R0.303 CCCCOCCCNCCCCCCCO 2230a_200000211371_100000760002 [1,1,0,0,0,0|1,0,1]=4 6664 B16R0.303 CCCCOCCCNCCCCCCCO 34a_200000211371_100000760002 [1,1,0,0,0,0|1,0,1]=4 6665 B16R0.303 CCCCOCCCOCCCCCCCO 34a_200011215613_100000760002 [1,1,0,0,0,0|1,0,1]=4 6666 B16R0.303 CCCCOCCCOCCCCCCCO 7a_200011215613_100000760002 [1,1,0,0,0,0|1,0,1]=4 6667 B16R0.303 CCCCOCCNCCCCCCCCO 2230a_102515433106_100000743108 [1,1,0,0,0,0|1,0,1]=4 6668 B16R0.303 CCCCOCCNCCCCCCCCO 34a_102515433106_100000743108 [1,1,0,0,0,0|1,0,1]=4 6669 B16R0.303 CCCCOCCOCCCCCCCCO 34a_100000210238_100000033203 [1,1,0,0,0,0|1,0,1]=4 6670 B16R0.303 CCCCOCCOCCCCCCCCO 7a_100000210238_100000033203 [1,1,0,0,0,0|1,0,1]=4 6671 B16R0.303 CCCCOCCOCCOCCCCC=O 7a_100011215186_100000139335 [1,1,0,0,0,0|2,0,0]=4 6672 B16R0.303 CCCCOCCSCCCCCCCCO 62a_100000033203_100000743108 [1,1,0,0,0,0|1,0,1]=4 6673 B16R0.303 CCCCOCCSCCCCCCCCO 62a_100000743108_100000033203 [1,1,0,0,0,0|1,0,1]=4 6674 B16R0.303 CCCCOCNCCCCCCCCCO 2230a_100000078944_100011995733 [1,1,0,0,0,0|1,0,1]=4 6675 B16R0.303 CCCCOCNCCCCCCCCCO 34a_100000078944_100011995733 [1,1,0,0,0,0|1,0,1]=4 6676 B16R0.303 CCCCOCSCCCCCCCCCO 62a_100009813782_100011995733 [1,1,0,0,0,0|1,0,1]=4 6677 B16R0.303 CCCCOCSCCCCCCCCCO 62a_100011995733_100009813782 [1,1,0,0,0,0|1,0,1]=4 6678 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [1,1,0,0,0,0|0,0,1]=3 6679 B16R0.303 CCCCSCCNCCCCCCCCO 2230a_100025743550_100000033203 [1,1,0,0,0,0|1,0,1]=4 6680 B16R0.303 CCCCSCCOCCCCCCCCO 34a_200000230436_100000033203 [1,1,0,0,0,0|1,0,1]=4 6681 B16R0.303 CCCCSCCOCCCCCCCCO 7a_200000230436_100000033203 [1,1,0,0,0,0|1,0,1]=4 6682 B16R0.303 CCCNCCCCCCCCCCCCO 2230a_100000066677_100000210303 [1,1,0,0,0,0|0,0,1]=3 6683 B16R0.303 CCCNCCCCCCCCCCCCO 34a_100000066677_100000210303 [1,1,0,0,0,0|0,0,1]=3 6684 B16R0.303 CCCOCCCCCCCCCCCCBr 34a_100009813331_100000210303 [1,1,0,0,0,0|1,0,1]=4 6685 B16R0.303 CCCOCCCCCCCCCCCCBr 7a_100009813331_100000210303 [1,1,0,0,0,0|1,0,1]=4 6686 B16R0.303 CCCOCCCCCCCCCCCCN 34a_100000066677_100000210303 [1,1,0,0,0,0|1,0,1]=4 6687 B16R0.303 CCCOCCCCCCCCCCCCO 34a_100000210258_100009813331 [1,1,0,0,0,0|0,0,1]=3 6688 B16R0.303 CCCOCCCCCCOCCCCCO 34a_100000210258_200132310570 [1,1,0,0,0,0|1,0,1]=4 6689 B16R0.303 CCCOCCCNCCCCCCCCO 2230a_100011217757_100000033203 [1,1,0,0,0,0|1,0,1]=4 6690 B16R0.303 CCCOCCCNCCCCCCCCO 34a_100011217757_100000033203 [1,1,0,0,0,0|1,0,1]=4 6691 B16R0.303 CCCOCCNCCCCCCCCCO 2230a_100000078944_100011215938 [1,1,0,0,0,0|1,0,1]=4 6692 B16R0.303 CCCOCCNCCCCCCCCCO 2230a_100161115042_100009813782 [1,1,0,0,0,0|1,0,1]=4 6693 B16R0.303 CCCOCCNCCCCCCCCCO 34a_100000078944_100011215938 [1,1,0,0,0,0|1,0,1]=4 6694 B16R0.303 CCCOCCNCCCCCCCCCO 34a_100161115042_100009813782 [1,1,0,0,0,0|1,0,1]=4 6695 B16R0.303 CCCOCCOCCCCCCCCCO 34a_100000752267_100009813782 [1,1,0,0,0,0|1,0,1]=4 6696 B16R0.303 CCCOCCOCCCCCCCCCO 7a_100000752267_100009813782 [1,1,0,0,0,0|1,0,1]=4 6697 B16R0.303 CCCOCCOCCNCCCCCC=O 2230a_200011904461_100000139337 [1,1,0,0,0,0|2,0,0]=4 6698 B16R0.303 CCCOCCSCCCCCCCCCO 62a_100009813782_100011215938 [1,1,0,0,0,0|1,0,1]=4 6699 B16R0.303 CCCOCCSCCCCCCCCCO 62a_100011215938_100009813782 [1,1,0,0,0,0|1,0,1]=4 6700 B16R0.303 CCCSCCCCCCCCCCCCO 62a_100009813331_100000210303 [1,1,0,0,0,0|0,0,1]=3 6701 B16R0.303 CCCSCCCCCCOCCCCCO 62a_100000210303_200132310570 [1,1,0,0,0,0|1,0,1]=4 6702 B16R0.303 CCCSCCCCCCOCCCCCO 62a_200132310570_100000210303 [1,1,0,0,0,0|1,0,1]=4 6703 B16R0.303 CCCSCCNCCCCCCCCCO 2230a_100020603323_100009813782 [1,1,0,0,0,0|1,0,1]=4 6704 B16R0.303 CCCSCCOCCCCCCCCCO 34a_200000230433_100009813782 [1,1,0,0,0,0|1,0,1]=4 6705 B16R0.303 CCCSCCOCCCCCCCCCO 7a_200000230433_100009813782 [1,1,0,0,0,0|1,0,1]=4 6706 B16R0.303 CCNCCCCCCCCCCCCCO 2230a_100015525214_100009812470 [1,1,0,0,0,0|0,0,1]=3 6707 B16R0.303 CCOCCCCCCCCCCCCCBr 34a_100009812470_100000210202 [1,1,0,0,0,0|1,0,1]=4 6708 B16R0.303 CCOCCCCCCCCCCCCCBr 7a_100009812470_100000210202 [1,1,0,0,0,0|1,0,1]=4 6709 B16R0.303 CCOCCCCCCCCCCCCCO 34a_100121572206_100009812470 [1,1,0,0,0,0|0,0,1]=3 6710 B16R0.303 CCOCCCCCCCCCOCCCO 34a_100009875440_100000230001 [1,1,0,0,0,0|1,0,1]=4 6711 B16R0.303 CCOCCCCCCCCCOCCCO 7a_100009875440_100011215043 [1,1,0,0,0,0|1,0,1]=4 6712 B16R0.303 CCOCCCNCCCCCCCCCO 2230a_100000078944_100012232248 [1,1,0,0,0,0|1,0,1]=4 6713 B16R0.303 CCOCCCNCCCCCCCCCO 2230a_100000210961_100009813782 [1,1,0,0,0,0|1,0,1]=4 6714 B16R0.303 CCOCCCNCCCCCCCCCO 34a_100000078944_100012232248 [1,1,0,0,0,0|1,0,1]=4 6715 B16R0.303 CCOCCCNCCCCCCCCCO 34a_100000210961_100009813782 [1,1,0,0,0,0|1,0,1]=4 6716 B16R0.303 CCOCCCOCCCCCCCCCO 34a_100000757476_100009813782 [1,1,0,0,0,0|1,0,1]=4 6717 B16R0.303 CCOCCCOCCCCCCCCCO 7a_100000757476_100009813782 [1,1,0,0,0,0|1,0,1]=4 6718 B16R0.303 CCOCCCSCCCCCCCCCO 62a_100009813782_100012232248 [1,1,0,0,0,0|1,0,1]=4 6719 B16R0.303 CCOCCCSCCCCCCCCCO 62a_100012232248_100009813782 [1,1,0,0,0,0|1,0,1]=4 6720 B16R0.303 CCOCCNCCCCCCCCCCO 2230a_100000066964_100011215890 [1,1,0,0,0,0|1,0,1]=4 6721 B16R0.303 CCOCCNCCCCCCCCCCO 2230a_102516460346_100009813290 [1,1,0,0,0,0|1,0,1]=4 6722 B16R0.303 CCOCCNCCCCCCCCCCO 34a_100000066964_100000210147 [1,1,0,0,0,0|1,0,1]=4 6723 B16R0.303 CCOCCNCCCCCCCCCCO 34a_102516460346_100009813290 [1,1,0,0,0,0|1,0,1]=4 6724 B16R0.303 CCOCCOCCCCCCCCCCO 34a_100000210136_100009813290 [1,1,0,0,0,0|1,0,1]=4 6725 B16R0.303 CCOCCOCCCCCCCCCCO 7a_100000210136_100009813290 [1,1,0,0,0,0|1,0,1]=4 6726 B16R0.303 CCOCCSCCCCCCCCCCO 62a_100000210147_200000033068 [1,1,0,0,0,0|1,0,1]=4 6727 B16R0.303 CCOCCSCCCCCCCCCCO 62a_100009813290_100011215890 [1,1,0,0,0,0|1,0,1]=4 6728 B16R0.303 CCOCSCCCCCCCCCCCO 62a_100009812471_100000739092 [1,1,0,0,0,0|1,0,1]=4 6729 B16R0.303 CCSCCCCCCCCCCCCCO 62a_100009812470_100000210202 [1,1,0,0,0,0|0,0,1]=3 6730 B16R0.303 CCSCCCOCCCCCCCCCO 34a_100011216438_100009813782 [1,1,0,0,0,0|1,0,1]=4 6731 B16R0.303 CCSCCCOCCCCCCCCCO 7a_100011216438_100009813782 [1,1,0,0,0,0|1,0,1]=4 6732 B16R0.303 CCSCCNCCCCCCCCCCO 2230a_100000066964_100000757381 [1,1,0,0,0,0|1,0,1]=4 6733 B16R0.303 CCSCCNCCCCCCCCCCO 2230a_100000106463_100009813290 [1,1,0,0,0,0|1,0,1]=4 6734 B16R0.303 CCSCCNCCCCCCCCCCO 34a_100000066964_100000757381 [1,1,0,0,0,0|1,0,1]=4 6735 B16R0.303 CCSCCOCCCCCCCCCCO 34a_100000212035_100009813290 [1,1,0,0,0,0|1,0,1]=4 6736 B16R0.303 CCSCCOCCCCCCCCCCO 7a_100000212035_100009813290 [1,1,0,0,0,0|1,0,1]=4 6737 B16R0.303 CCSCCSCCCCCCCCCCO 62a_100000757381_200000033068 [1,1,0,0,0,0|1,0,1]=4 6738 B16R0.303 CCSCCSCCCCCCCCCCO 62a_100009813290_100000757381 [1,1,0,0,0,0|1,0,1]=4 6739 B16R0.303 CNCCCCCCCCCCCCCCO 2230a_106832991635_100009828009 [1,1,0,0,0,0|0,0,1]=3 6740 B16R0.303 CNCCCCCCCCCCCCCCO 34a_100102657272_100009828009 [1,1,0,0,0,0|0,0,1]=3 6741 B16R0.303 CNCCCCCCCCCCCCCCO 7a_106832991635_100009828009 [1,1,0,0,0,0|0,0,1]=3 6742 B16R0.303 CNCCCCCOCCCCCCCCO 34a_100000722520_100000033203 [1,1,0,0,0,0|1,0,1]=4 6743 B16R0.303 CNCCCOCCCCCCCCCCO 34a_100000213112_100009813290 [1,1,0,0,0,0|1,0,1]=4 6744 B16R0.303 COCCCCCCCCCCCCCCBr 34a_100009828009_200000210301 [1,1,0,0,0,0|1,0,1]=4 6745 B16R0.303 COCCCCCCCCCCCCCCBr 7a_100009828009_200000210301 [1,1,0,0,0,0|1,0,1]=4 6746 B16R0.303 COCCCCCCCCCCCCCCO 34a_100138415774_100009828009 [1,1,0,0,0,0|0,0,1]=3 6747 B16R0.303 COCCCCCCNCCCCCCCO 2230a_100011996573_100011998445 [1,1,0,0,0,0|1,0,1]=4 6748 B16R0.303 COCCCCCCNCCCCCCCO 34a_100011996573_100011998445 [1,1,0,0,0,0|1,0,1]=4 6749 B16R0.303 COCCCCCCOCCCCCCCO 34a_200012092642_100000760002 [1,1,0,0,0,0|1,0,1]=4 6750 B16R0.303 COCCCCCCOCCCCCCCO 7a_200012092642_100000760002 [1,1,0,0,0,0|1,0,1]=4 6751 B16R0.303 COCCCCCCSCCCCCCCO 62a_100000760002_100011998445 [1,1,0,0,0,0|1,0,1]=4 6752 B16R0.303 COCCCCCCSCCCCCCCO 62a_100011998445_100000760002 [1,1,0,0,0,0|1,0,1]=4 6753 B16R0.303 COCCCCCNCCCCCCCCO 2230a_100000747528_100000033203 [1,1,0,0,0,0|1,0,1]=4 6754 B16R0.303 COCCCCCNCCCCCCCCO 34a_100000747528_100000033203 [1,1,0,0,0,0|1,0,1]=4 6755 B16R0.303 COCCCCNCCCCCCCCCO 2230a_100000078944_100000730899 [1,1,0,0,0,0|1,0,1]=4 6756 B16R0.303 COCCCCNCCCCCCCCCO 34a_100000078944_100000755781 [1,1,0,0,0,0|1,0,1]=4 6757 B16R0.303 COCCCCOCCCCCCCCCO 34a_100000740925_100009813782 [1,1,0,0,0,0|1,0,1]=4 6758 B16R0.303 COCCCCSCCCCCCCCCO 62a_100000730899_100009813782 [1,1,0,0,0,0|1,0,1]=4 6759 B16R0.303 COCCCCSCCCCCCCCCO 62a_100009813782_100000730899 [1,1,0,0,0,0|1,0,1]=4 6760 B16R0.303 COCCCNCCCCCCCCCCO 2230a_100000066964_100000740836 [1,1,0,0,0,0|1,0,1]=4 6761 B16R0.303 COCCCNCCCCCCCCCCO 34a_100000066964_100000740836 [1,1,0,0,0,0|1,0,1]=4 6762 B16R0.303 COCCCNCCCCCCCCCCO 34a_100150723488_100009813290 [1,1,0,0,0,0|1,0,1]=4 6763 B16R0.303 COCCCOCCCCCCCCCCO 34a_100000740835_100009813290 [1,1,0,0,0,0|1,0,1]=4 6764 B16R0.303 COCCCOCCCOCCCCCC=O 7a_200011215475_100000139337 [1,1,0,0,0,0|2,0,0]=4 6765 B16R0.303 COCCCSCCCCCCCCCCO 62a_100000709357_200000033068 [1,1,0,0,0,0|1,0,1]=4 6766 B16R0.303 COCCCSCCCCCCCCCCO 62a_100009813290_100000709357 [1,1,0,0,0,0|1,0,1]=4 6767 B16R0.303 COCCNCCCCCCCCCCCO 2230a_100000209980_100009812471 [1,1,0,0,0,0|1,0,1]=4 6768 B16R0.303 COCCOCCCCCCCCCCCO 34a_100000210237_100009812471 [1,1,0,0,0,0|1,0,1]=4 6769 B16R0.303 COCCSCCCCCCCCCCCO 62a_100009812471_100000233755 [1,1,0,0,0,0|1,0,1]=4 6770 B16R0.303 COCNCCCCCCCCCCCCO 2230a_100000066677_100000766300 [1,1,0,0,0,0|1,0,1]=4 6771 B16R0.303 COCSCCCCCCCCCCCCO 62a_100009813331_100000766300 [1,1,0,0,0,0|1,0,1]=4 6772 B16R0.303 CSCCCCOCCCCCCCCCO 34a_100011217163_100009813782 [1,1,0,0,0,0|1,0,1]=4 6773 B16R0.303 CSCCCCOCCCCCCCCCO 7a_100011217163_100009813782 [1,1,0,0,0,0|1,0,1]=4 6774 B16R0.303 CSCCCNCCCCCCCCCCO 2230a_100000749238_100009813290 [1,1,0,0,0,0|1,0,1]=4 6775 B16R0.303 CSCCCOCCCCCCCCCCO 34a_100000690336_100009813290 [1,1,0,0,0,0|1,0,1]=4 6776 B16R0.303 CSCCCOCCCCCCCCCCO 7a_100000690336_100009813290 [1,1,0,0,0,0|1,0,1]=4 6777 B16R0.303 CSCCNCCCCCCCCCCCO 2230a_100020590264_100009812471 [1,1,0,0,0,0|1,0,1]=4 6778 B16R0.303 CSCCOCCCCCCCCCCCO 34a_100000230434_100009812471 [1,1,0,0,0,0|1,0,1]=4 6779 B16R0.303 CSCCOCCCCCCCCCCCO 7a_100000230434_100009812471 [1,1,0,0,0,0|1,0,1]=4 6780 B16R0.303 CSCCSCCCCCCCCCCCO 62a_100009812471_100000751147 [1,1,0,0,0,0|1,0,1]=4 6781 B16R0.303 CSCNCCCCCCCCCCCCO 2230a_100000066677_100011218213 [1,1,0,0,0,0|1,0,1]=4 6782 B16R0.303 CSCNCCCCCCCCCCCCO 34a_100000066677_100011218213 [1,1,0,0,0,0|1,0,1]=4 6783 B16R0.303 CSCSCCCCCCCCCCCCO 62a_100009813331_100011218213 [1,1,0,0,0,0|1,0,1]=4 6784 B16R0.303 NCCCCCCCCCCCCOCC=O 34a_100000066677_200009817547 [1,1,0,0,0,0|1,0,0]=3 6785 B16R0.303 NCCCCCCCCCCCCOCCO 34a_100000066677_100000211926 [1,1,0,0,0,0|1,0,1]=4 6786 B16R0.303 NCCCCCCCCCCOCCCCO 34a_100000066964_100011216708 [1,1,0,0,0,0|1,0,1]=4 6787 B16R0.303 NCCCCCCCCCOCCCCCO 34a_100000078944_100000746330 [1,1,0,0,0,0|1,0,1]=4 6788 B16R0.303 NCCCCCCCCOCCCCCCO 34a_102515433106_100000766143 [1,1,0,0,0,0|1,0,1]=4 6789 B16R0.303 NCCCCCCCOCCCCCCCO 34a_100011996573_100000760002 [1,1,0,0,0,0|1,0,1]=4 6790 B16R0.303 NCCCCCCOCCCCCCCCO 34a_100000686447_100000033203 [1,1,0,0,0,0|1,0,1]=4 6791 B16R0.303 NCCCCCOCCCCCCCCCO 34a_100000762737_100009813782 [1,1,0,0,0,0|1,0,1]=4 6792 B16R0.303 NCCCCOCCCCCCCCCCO 34a_100000750430_100009813290 [1,1,0,0,0,0|1,0,1]=4 6793 B16R0.303 NCCCOCCCCCCCCCCCO 34a_100000182051_100009812471 [1,1,0,0,0,0|1,0,1]=4 6794 B16R0.303 NCCOCCCCCCCCCCCCO 34a_100000210304_100009813331 [1,1,0,0,0,0|1,0,1]=4 6795 B16R0.303 O=CCCCCCNCCCCCCCCO 2230a_102515433106_100000139337 [1,1,0,0,0,0|1,0,0]=3 6796 B16R0.303 O=CCCCCCOCCCCCCCCBr 7a_100009813846_100000139337 [1,1,0,0,0,0|1,0,0]=3 6797 B16R0.303 O=CCCCCCOCCCCCCCCCl 7a_100000033203_100000139337 [1,1,0,0,0,0|1,0,0]=3 6798 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000033203_100000139337 [1,1,0,0,0,0|1,0,0]=3 6799 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000139337_100000033203 [1,1,0,0,0,0|1,0,0]=3 6800 B16R0.303 O=CCCCCNCCCCCCCCCO 2230a_100000078944_100000139335 [1,1,0,0,0,0|1,0,0]=3 6801 B16R0.303 O=CCCCCOCCCCCCCCCBr 7a_100009813782_100000139335 [1,1,0,0,0,0|1,0,0]=3 6802 B16R0.303 O=CCCCCOCCCCCCCCCCl 7a_100009868337_100000139335 [1,1,0,0,0,0|1,0,0]=3 6803 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100000139335_100009813782 [1,1,0,0,0,0|1,0,0]=3 6804 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100009813782_100000139335 [1,1,0,0,0,0|1,0,0]=3 6805 B16R0.303 O=CCCCNCCCCCCCCCCO 2230a_100000066964_200011292268 [1,1,0,0,0,0|1,0,0]=3 6806 B16R0.303 O=CCCCOCCCCCCCCCCBr 7a_100009813290_200011292268 [1,1,0,0,0,0|1,0,0]=3 6807 B16R0.303 O=CCCCOCCCCCCCCCCCl 7a_200000033068_200011292268 [1,1,0,0,0,0|1,0,0]=3 6808 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_100009813290_200011292268 [1,1,0,0,0,0|1,0,0]=3 6809 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_200011292268_200000033068 [1,1,0,0,0,0|1,0,0]=3 6810 B16R0.303 O=CCNCCCCCCCCCCCCO 2230a_100000066677_200015260668 [1,1,0,0,0,0|1,0,0]=3 6811 B16R0.303 O=CCNCCCCCCCCCCCCO 34a_100000066677_200009817547 [1,1,0,0,0,0|1,0,0]=3 6812 B16R0.303 O=CCOCCCCCCCCCCCCBr 34a_100009813331_200009817547 [1,1,0,0,0,0|1,0,0]=3 6813 B16R0.303 O=CCOCCCCCCCCCCCCBr 7a_100009813331_200015260668 [1,1,0,0,0,0|1,0,0]=3 6814 B16R0.303 O=CCOCCCCCOCCCCCCCl 34a_200132310570_200009817547 [1,1,0,0,0,0|2,0,0]=4 6815 B16R0.303 O=CCOCCCCCOCCCCCCCl 7a_200132310570_200015260668 [1,1,0,0,0,0|2,0,0]=4 6816 B16R0.303 O=CCSCCCCCCCCCCCCO 62a_100009813331_200015260668 [1,1,0,0,0,0|1,0,0]=3 6817 B16R0.303 O=CCSCCCCCCOCCCCCO 62a_200015260668_200132310570 [1,1,0,0,0,0|2,0,0]=4 6818 B16R0.303 O=CCSCCCCCCOCCCCCO 62a_200132310570_200015260668 [1,1,0,0,0,0|2,0,0]=4 6819 B16R0.303 OCCCCCCCCCCCCCSCF 62a_100009812470_100015361967 [1,1,0,0,0,0|1,0,1]=4 6820 B16R0.303 OCCCCCCCCCCCCNCCF 2230a_100000066677_100011217306 [1,1,0,0,0,0|1,0,1]=4 6821 B16R0.303 OCCCCCCCCCCCCNCCF 34a_100000066677_100011217306 [1,1,0,0,0,0|1,0,1]=4 6822 B16R0.303 OCCCCCCCCCCCCNCCF 34a_100000724931_100009813331 [1,1,0,0,0,0|1,0,1]=4 6823 B16R0.303 OCCCCCCCCCCCCNCCO 2230a_100000066677_100000211926 [1,1,0,0,0,0|1,0,1]=4 6824 B16R0.303 OCCCCCCCCCCCCNCCO 2230a_100016997473_100009813331 [1,1,0,0,0,0|1,0,1]=4 6825 B16R0.303 OCCCCCCCCCCCCNCCO 34a_100000066677_100000211926 [1,1,0,0,0,0|1,0,1]=4 6826 B16R0.303 OCCCCCCCCCCCCNCCO 34a_100016990907_100009813331 [1,1,0,0,0,0|1,0,1]=4 6827 B16R0.303 OCCCCCCCCCCCCOCCBr 34a_100000211926_100009813331 [1,1,0,0,0,0|1,0,1]=4 6828 B16R0.303 OCCCCCCCCCCCCSCCF 62a_100009813331_100011217306 [1,1,0,0,0,0|1,0,1]=4 6829 B16R0.303 OCCCCCCCCCCCCSCCO 62a_100009813331_100000211926 [1,1,0,0,0,0|1,0,1]=4 6830 B16R0.303 OCCCCCCCCCCCNCCCF 2230a_100015189416_100009812471 [1,1,0,0,0,0|1,0,1]=4 6831 B16R0.303 OCCCCCCCCCCCNCCCF 34a_100015189416_100009812471 [1,1,0,0,0,0|1,0,1]=4 6832 B16R0.303 OCCCCCCCCCCCOCCCBr 34a_100011217188_100009812471 [1,1,0,0,0,0|1,0,1]=4 6833 B16R0.303 OCCCCCCCCCCCOCCCCl 34a_100000230001_100009812471 [1,1,0,0,0,0|1,0,1]=4 6834 B16R0.303 OCCCCCCCCCCCOCCCF 34a_100000759539_100009812471 [1,1,0,0,0,0|1,0,1]=4 6835 B16R0.303 OCCCCCCCCCCCSCCCF 62a_100009812471_100011934791 [1,1,0,0,0,0|1,0,1]=4 6836 B16R0.303 OCCCCCCCCCCCSCCCO 62a_100009812471_100011215043 [1,1,0,0,0,0|1,0,1]=4 6837 B16R0.303 OCCCCCCCCCCNCCCCF 2230a_100000066964_100000729493 [1,1,0,0,0,0|1,0,1]=4 6838 B16R0.303 OCCCCCCCCCCNCCCCF 34a_100000066964_100000729493 [1,1,0,0,0,0|1,0,1]=4 6839 B16R0.303 OCCCCCCCCCCNCCCCO 2230a_100000066964_100000210776 [1,1,0,0,0,0|1,0,1]=4 6840 B16R0.303 OCCCCCCCCCCNCCCCO 2230a_100000750430_100009813290 [1,1,0,0,0,0|1,0,1]=4 6841 B16R0.303 OCCCCCCCCCCNCCCCO 34a_100000066964_100011216708 [1,1,0,0,0,0|1,0,1]=4 6842 B16R0.303 OCCCCCCCCCCNCCCCO 34a_100000750430_100009813290 [1,1,0,0,0,0|1,0,1]=4 6843 B16R0.303 OCCCCCCCCCCOCCCCBr 34a_100011216708_100009813290 [1,1,0,0,0,0|1,0,1]=4 6844 B16R0.303 OCCCCCCCCCCOCCCCCl 34a_100000210776_100009813290 [1,1,0,0,0,0|1,0,1]=4 6845 B16R0.303 OCCCCCCCCCCOCCCCCl 7a_100000210776_100009813290 [1,1,0,0,0,0|1,0,1]=4 6846 B16R0.303 OCCCCCCCCCCOCCCCF 34a_100011995726_100009813290 [1,1,0,0,0,0|1,0,1]=4 6847 B16R0.303 OCCCCCCCCCCOCCCCF 7a_100011995726_100009813290 [1,1,0,0,0,0|1,0,1]=4 6848 B16R0.303 OCCCCCCCCCCOCCCCI 34a_200012148704_100009813290 [1,1,0,0,0,0|1,0,1]=4 6849 B16R0.303 OCCCCCCCCCCSCCCCF 62a_100000729493_200000033068 [1,1,0,0,0,0|1,0,1]=4 6850 B16R0.303 OCCCCCCCCCCSCCCCF 62a_100009813290_100000729493 [1,1,0,0,0,0|1,0,1]=4 6851 B16R0.303 OCCCCCCCCCCSCCCCO 62a_100000210776_200000033068 [1,1,0,0,0,0|1,0,1]=4 6852 B16R0.303 OCCCCCCCCCCSCCCCO 62a_100009813290_100000210776 [1,1,0,0,0,0|1,0,1]=4 6853 B16R0.303 OCCCCCCCCCNCCCCCF 2230a_100000078944_100000729378 [1,1,0,0,0,0|1,0,1]=4 6854 B16R0.303 OCCCCCCCCCNCCCCCF 34a_100000078944_100000729378 [1,1,0,0,0,0|1,0,1]=4 6855 B16R0.303 OCCCCCCCCCNCCCCCO 2230a_100000078944_100000746330 [1,1,0,0,0,0|1,0,1]=4 6856 B16R0.303 OCCCCCCCCCNCCCCCO 2230a_100000762737_100009813782 [1,1,0,0,0,0|1,0,1]=4 6857 B16R0.303 OCCCCCCCCCNCCCCCO 34a_100000078944_100000746330 [1,1,0,0,0,0|1,0,1]=4 6858 B16R0.303 OCCCCCCCCCNCCCCCO 34a_100000762737_100009813782 [1,1,0,0,0,0|1,0,1]=4 6859 B16R0.303 OCCCCCCCCCOCCCCCBr 34a_100000746331_100009813782 [1,1,0,0,0,0|1,0,1]=4 6860 B16R0.303 OCCCCCCCCCOCCCCCBr 7a_100000746331_100009813782 [1,1,0,0,0,0|1,0,1]=4 6861 B16R0.303 OCCCCCCCCCOCCCCCCl 34a_100000746330_100009813782 [1,1,0,0,0,0|1,0,1]=4 6862 B16R0.303 OCCCCCCCCCOCCCCCCl 7a_100000746330_100009813782 [1,1,0,0,0,0|1,0,1]=4 6863 B16R0.303 OCCCCCCCCCOCCCCCI 34a_200012148887_100009813782 [1,1,0,0,0,0|1,0,1]=4 6864 B16R0.303 OCCCCCCCCCOCCCCCI 7a_200012148887_100009813782 [1,1,0,0,0,0|1,0,1]=4 6865 B16R0.303 OCCCCCCCCCSCCCCCF 62a_100000729378_100009813782 [1,1,0,0,0,0|1,0,1]=4 6866 B16R0.303 OCCCCCCCCCSCCCCCF 62a_100009813782_100000729378 [1,1,0,0,0,0|1,0,1]=4 6867 B16R0.303 OCCCCCCCCCSCCCCCO 62a_100000746330_100009813782 [1,1,0,0,0,0|1,0,1]=4 6868 B16R0.303 OCCCCCCCCCSCCCCCO 62a_100009813782_100000746330 [1,1,0,0,0,0|1,0,1]=4 6869 B16R0.303 OCCCCCCCCNCCCCCCF 2230a_102515433106_100015922095 [1,1,0,0,0,0|1,0,1]=4 6870 B16R0.303 OCCCCCCCCNCCCCCCF 34a_102515433106_100015922095 [1,1,0,0,0,0|1,0,1]=4 6871 B16R0.303 OCCCCCCCCNCCCCCCO 2230a_100000686447_100000033203 [1,1,0,0,0,0|1,0,1]=4 6872 B16R0.303 OCCCCCCCCNCCCCCCO 2230a_102515433106_100000766143 [1,1,0,0,0,0|1,0,1]=4 6873 B16R0.303 OCCCCCCCCNCCCCCCO 34a_100000686447_100000033203 [1,1,0,0,0,0|1,0,1]=4 6874 B16R0.303 OCCCCCCCCNCCCCCCO 34a_102515433106_100000766143 [1,1,0,0,0,0|1,0,1]=4 6875 B16R0.303 OCCCCCCCCOCCCCCCBr 34a_100011215345_100000033203 [1,1,0,0,0,0|1,0,1]=4 6876 B16R0.303 OCCCCCCCCOCCCCCCBr 7a_100011215345_100000033203 [1,1,0,0,0,0|1,0,1]=4 6877 B16R0.303 OCCCCCCCCOCCCCCCCl 34a_100000766143_100000033203 [1,1,0,0,0,0|1,0,1]=4 6878 B16R0.303 OCCCCCCCCOCCCCCCCl 7a_100000766143_100000033203 [1,1,0,0,0,0|1,0,1]=4 6879 B16R0.303 OCCCCCCCCOCCCCCCF 34a_100000732779_100000033203 [1,1,0,0,0,0|1,0,1]=4 6880 B16R0.303 OCCCCCCCCOCCCCCCF 7a_100000732779_100000033203 [1,1,0,0,0,0|1,0,1]=4 6881 B16R0.303 OCCCCCCCCSCCCCCCF 62a_100000033203_100015922095 [1,1,0,0,0,0|1,0,1]=4 6882 B16R0.303 OCCCCCCCCSCCCCCCF 62a_100015922095_100000033203 [1,1,0,0,0,0|1,0,1]=4 6883 B16R0.303 OCCCCCCCCSCCCCCCO 62a_100000033203_100000766143 [1,1,0,0,0,0|1,0,1]=4 6884 B16R0.303 OCCCCCCCCSCCCCCCO 62a_100000766143_100000033203 [1,1,0,0,0,0|1,0,1]=4 6885 B16R0.303 OCCCCCCCNCCCCCCCO 2230a_100011996573_100000760002 [1,1,0,0,0,0|1,0,1]=4 6886 B16R0.303 OCCCCCCCNCCCCCCCO 34a_100011996573_100000760002 [1,1,0,0,0,0|1,0,1]=4 6887 B16R0.303 OCCCCCCCOCCCCCCCBr 34a_100000760002_100000760002 [1,1,0,0,0,0|1,0,1]=4 6888 B16R0.303 OCCCCCCCOCCCCCCCBr 7a_100000760002_100000760002 [1,1,0,0,0,0|1,0,1]=4 6889 B16R0.303 OCCCCCCCSCCCCCCCO 62a_100000760002_100000760002 [1,1,0,0,0,0|1,0,1]=4 6890 B16R0.303 OCCCCCCOCCCCCCCCBr 34a_100009813846_100000766143 [1,1,0,0,0,0|1,0,1]=4 6891 B16R0.303 OCCCCCCOCCCCCCCCBr 7a_100009813846_100000766143 [1,1,0,0,0,0|1,0,1]=4 6892 B16R0.303 OCCCCCCOCCCCCCCCCl 34a_100000033203_100000766143 [1,1,0,0,0,0|1,0,1]=4 6893 B16R0.303 OCCCCCCOCCCCCCCCCl 7a_100000033203_100000766143 [1,1,0,0,0,0|1,0,1]=4 6894 B16R0.303 OCCCCCOCCCCCCCCCBr 34a_100009813782_100000746330 [1,1,0,0,0,0|1,0,1]=4 6895 B16R0.303 OCCCCCOCCCCCCCCCBr 7a_100009813782_100000746330 [1,1,0,0,0,0|1,0,1]=4 6896 B16R0.303 OCCCCCOCCCCCCCCCCl 34a_100009868337_100000746330 [1,1,0,0,0,0|1,0,1]=4 6897 B16R0.303 OCCCCCOCCCCCCCCCCl 7a_100009868337_100000746330 [1,1,0,0,0,0|1,0,1]=4 6898 B16R0.303 OCCCCOCCCCCCCCCCBr 34a_100009813290_100011216708 [1,1,0,0,0,0|1,0,1]=4 6899 B16R0.303 OCCCCOCCCCCCCCCCBr 7a_100009813290_100000210776 [1,1,0,0,0,0|1,0,1]=4 6900 B16R0.303 OCCCCOCCCCCCCCCCCl 34a_200000033068_100011216708 [1,1,0,0,0,0|1,0,1]=4 6901 B16R0.303 OCCCCOCCCCCCCCCCCl 7a_200000033068_100000210776 [1,1,0,0,0,0|1,0,1]=4 6902 B16R0.303 OCCCOCCCCCCCCCCCBr 34a_100009812471_100000230001 [1,1,0,0,0,0|1,0,1]=4 6903 B16R0.303 OCCCOCCCCCCCCCCCBr 7a_100009812471_100011215043 [1,1,0,0,0,0|1,0,1]=4 6904 B16R0.303 OCCOCCCCCCCCCCCCBr 34a_100009813331_100000211926 [1,1,0,0,0,0|1,0,1]=4 6905 B16R0.303 OCCOCCCCCCCCCCCCBr 7a_100009813331_100000211926 [1,1,0,0,0,0|1,0,1]=4 6906 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 34a_100009828009_200025704644 [1,1,0,0,0,0|1,0,1]=4 6907 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 7a_100009828009_200025704644 [1,1,0,0,0,0|1,0,1]=4 6908 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [1,1,0,0,0,0|1,0,1]=4 6909 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [1,1,0,0,0,0|1,0,1]=4 6910 B16R0.661 C=CCCC(C)NCCCCCCCCCC 270004a_100000684558_100000762624 [1,1,0,0,0,0|2,0,0]=4 6911 B16R0.661 C=CCCC(C)OCCCCCCCCCC 34a_100000765329_100000210320 [1,1,0,0,0,0|2,0,0]=4 6912 B16R0.661 C=CCCC(C)OCCCCCCCCCC 7a_100000765329_100000210320 [1,1,0,0,0,0|2,0,0]=4 6913 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [1,1,0,0,0,0|1,0,1]=4 6914 B16R0.661 C=CCCCCCCCCCN(C)CCCC 2230a_100000207549_100009814027 [1,1,0,0,0,0|2,0,0]=4 6915 B16R0.661 C=CCCCCCCCCCN(C)CCCC 269982a_100000207549_100009814027 [1,1,0,0,0,0|2,0,0]=4 6916 B16R0.661 C=CCCCCCCCCNC(C)CCCC 2230a_100000126638_100011933949 [1,1,0,0,0,0|2,0,0]=4 6917 B16R0.661 C=CCCCCCCCCOC(C)CCCC 34a_100000687866_100011933949 [1,1,0,0,0,0|2,0,0]=4 6918 B16R0.661 C=CCCCCCCCCOC(C)CCCC 34a_100011215194_200011215066 [1,1,0,0,0,0|2,0,0]=4 6919 B16R0.661 C=CCCCCCCCCOC(C)CCCC 7a_100000687866_100011933949 [1,1,0,0,0,0|2,0,0]=4 6920 B16R0.661 C=CCCCCCCCCOC(C)CCCC 7a_100011215194_200011215066 [1,1,0,0,0,0|2,0,0]=4 6921 B16R0.661 C=CCCCCCCCOCC(C)CCCC 34a_100011995851_100012355270 [1,1,0,0,0,0|2,0,0]=4 6922 B16R0.661 C=CCCCCCCCOCC(C)CCCC 7a_100011995851_100012355270 [1,1,0,0,0,0|2,0,0]=4 6923 B16R0.661 C=CCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100012355270 [1,1,0,0,0,0|2,0,0]=4 6924 B16R0.661 C=CCCCCOCCCCC(C)CCCC 34a_200011021034_100011215482 [1,1,0,0,0,0|2,0,0]=4 6925 B16R0.661 C=CCCCCOCCCCC(C)CCCC 7a_200011021034_100011215482 [1,1,0,0,0,0|2,0,0]=4 6926 B16R0.661 C=CCCN(C)CCCCCCCCCCC 2230a_100020639649_100011215454 [1,1,0,0,0,0|2,0,0]=4 6927 B16R0.661 C=CCCN(C)CCCCCCCCCCC 269982a_100020639649_100011215454 [1,1,0,0,0,0|2,0,0]=4 6928 B16R0.661 C=CCNC(C)CCCCCCCCCCC 270004a_100020586998_100011216755 [1,1,0,0,0,0|2,0,0]=4 6929 B16R0.661 C=CCOC(C)CCCCCCCCCCC 34a_100011217895_100015514636 [1,1,0,0,0,0|2,0,0]=4 6930 B16R0.661 C=CCOC(C)CCCCCCCCCCC 7a_100011217895_100015514636 [1,1,0,0,0,0|2,0,0]=4 6931 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [1,1,0,0,0,0|0,0,2]=4 6932 B16R0.661 CCCCC(C)CCCCOCCCCC=O 7a_200011021034_100000139335 [1,1,0,0,0,0|1,0,0]=3 6933 B16R0.661 CCCCC(C)CCCCOCCCCCO 34a_200011021034_100000746330 [1,1,0,0,0,0|1,0,1]=4 6934 B16R0.661 CCCCC(C)CCCCOCCCCCO 7a_200011021034_100000746330 [1,1,0,0,0,0|1,0,1]=4 6935 B16R0.661 CCCCC(C)COCCCCCCCCO 34a_100011995851_100000033203 [1,1,0,0,0,0|1,0,1]=4 6936 B16R0.661 CCCCC(C)COCCCCCCCCO 7a_100011995851_100000033203 [1,1,0,0,0,0|1,0,1]=4 6937 B16R0.661 CCCCC(C)NCCCCCCCCCO 2230a_100000078944_200011215066 [1,1,0,0,0,0|1,0,1]=4 6938 B16R0.661 CCCCC(C)NCCCCCCCCCO 2230a_100000126638_100009813782 [1,1,0,0,0,0|1,0,1]=4 6939 B16R0.661 CCCCC(C)NCCCCCCCCCO 270004a_100000078944_100000210087 [1,1,0,0,0,0|1,0,1]=4 6940 B16R0.661 CCCCC(C)NCCCCCCCCCO 34a_100000078944_200011215066 [1,1,0,0,0,0|1,0,1]=4 6941 B16R0.661 CCCCC(C)OCCCCCCCCCO 34a_100000687866_100009813782 [1,1,0,0,0,0|1,0,1]=4 6942 B16R0.661 CCCCC(C)OCCCCCCCCCO 7a_100000687866_100009813782 [1,1,0,0,0,0|1,0,1]=4 6943 B16R0.661 CCCCC(C)SCCCCCCCCCO 62a_100009813782_200011215066 [1,1,0,0,0,0|1,0,1]=4 6944 B16R0.661 CCCCC(C)SCCCCCCCCCO 62a_200011215066_100009813782 [1,1,0,0,0,0|1,0,1]=4 6945 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [1,1,0,0,0,0|0,0,2]=4 6946 B16R0.661 CCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011216755 [1,1,0,0,0,0|1,0,1]=4 6947 B16R0.661 CCCCCCCCCCCC(C)OCC=O 34a_100011217895_200009817547 [1,1,0,0,0,0|1,0,0]=3 6948 B16R0.661 CCCCCCCCCCCC(C)OCC=O 7a_100011217895_200015260668 [1,1,0,0,0,0|1,0,0]=3 6949 B16R0.661 CCCCCCCCCCCC(C)OCCO 34a_100011217895_100000211926 [1,1,0,0,0,0|1,0,1]=4 6950 B16R0.661 CCCCCCCCCCCC(C)OCCO 7a_100011217895_100000211926 [1,1,0,0,0,0|1,0,1]=4 6951 B16R0.661 CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215454 [1,1,0,0,0,0|1,0,1]=4 6952 B16R0.661 CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011215454 [1,1,0,0,0,0|1,0,1]=4 6953 B16R0.661 CCCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100011214924 [1,1,0,0,0,0|1,0,1]=4 6954 B16R0.661 CCCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100011214924 [1,1,0,0,0,0|1,0,1]=4 6955 B16R0.661 CCCCN(C)CCCCCCCCCCO 2230a_100000207549_100009813290 [1,1,0,0,0,0|1,0,1]=4 6956 B16R0.661 CCCCN(C)CCCCCCCCCCO 269982a_100000207549_100009813290 [1,1,0,0,0,0|1,0,1]=4 6957 B16R0.661 CCCC[C@H](N)COCCCCCCCCO 34a_100011934283_100000033203 [1,1,0,0,0,0|1,0,1]=4 6958 B16R0.6603 C=CCCCCC(=O)CCCCCCCCC 1458a_100000210558_100011215482 [1,1,0,0,0,0|1,0,1]=4 6959 B16R0.6603 C=CCCCCC(=O)CCCCCCCCC 1458a_100011215552_100000210670 [1,1,0,0,0,0|1,0,1]=4 6960 B16R0.6603 C=CCCCCCCCC(=O)CCCCCC 1458a_100011216160_100000210757 [1,1,0,0,0,0|1,0,1]=4 6961 B16R0.6603 C=CCCCCCCCC(=O)CCCCCC 1458a_100102632555_100012355270 [1,1,0,0,0,0|1,0,1]=4 6962 B16R0.6603 C=CCCCCCCCN(C)CCCCCC 2230a_106256046315_100012355270 [1,1,0,0,0,0|2,0,0]=4 6963 B16R0.6603 C=CCCCCCCCN(C)CCCCCC 269982a_106256046315_100012355270 [1,1,0,0,0,0|2,0,0]=4 6964 B16R0.6603 C=CCCCCCCNC(C)CCCCCC 2230a_100000210919_100011215473 [1,1,0,0,0,0|2,0,0]=4 6965 B16R0.6603 C=CCCCCCCNC(C)CCCCCC 34a_100000210919_100011215473 [1,1,0,0,0,0|2,0,0]=4 6966 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 34a_100000210265_100011215473 [1,1,0,0,0,0|2,0,0]=4 6967 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 34a_200011216477_100011215978 [1,1,0,0,0,0|2,0,0]=4 6968 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 7a_100000210265_100011215473 [1,1,0,0,0,0|2,0,0]=4 6969 B16R0.6603 C=CCCCCCCOC(C)CCCCCC 7a_200011216477_100011215978 [1,1,0,0,0,0|2,0,0]=4 6970 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 2230a_100000232482_100011215482 [1,1,0,0,0,0|2,0,0]=4 6971 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 2230a_100012000471_100011214924 [1,1,0,0,0,0|2,0,0]=4 6972 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 269982a_100000232482_100011215482 [1,1,0,0,0,0|2,0,0]=4 6973 B16R0.6603 C=CCCCCN(C)CCCCCCCCC 269982a_100012000471_100000210670 [1,1,0,0,0,0|2,0,0]=4 6974 B16R0.6603 C=CCCCCOCCC(C)CCCCCC 34a_200011024964_100011215482 [1,1,0,0,0,0|2,0,0]=4 6975 B16R0.6603 C=CCCCCOCCC(C)CCCCCC 7a_200011024964_100011215482 [1,1,0,0,0,0|2,0,0]=4 6976 B16R0.6603 C=CCCCNC(C)CCCCCCCCC 270004a_100000700776_100011215753 [1,1,0,0,0,0|2,0,0]=4 6977 B16R0.6603 C=CCCCOC(C)CCCCCCCCC 34a_100011218016_100000757094 [1,1,0,0,0,0|2,0,0]=4 6978 B16R0.6603 C=CCCCOC(C)CCCCCCCCC 7a_100011218016_100000757094 [1,1,0,0,0,0|2,0,0]=4 6979 B16R0.6603 C=CCCNCC(C)CCCCCCCCC 270004a_100015191253_200011218516 [1,1,0,0,0,0|2,0,0]=4 6980 B16R0.6603 CCCCCCC(=O)CCCCCCCCO 1458a_100102632555_100000033203 [1,1,0,0,0,0|0,0,2]=4 6981 B16R0.6603 CCCCCCC(C)CCOCCCCC=O 7a_200011024964_100000139335 [1,1,0,0,0,0|1,0,0]=3 6982 B16R0.6603 CCCCCCC(C)CCOCCCCCO 34a_200011024964_100000746330 [1,1,0,0,0,0|1,0,1]=4 6983 B16R0.6603 CCCCCCC(C)CCOCCCCCO 7a_200011024964_100000746330 [1,1,0,0,0,0|1,0,1]=4 6984 B16R0.6603 CCCCCCC(C)NCCCCCCCO 2230a_100000210919_100000760002 [1,1,0,0,0,0|1,0,1]=4 6985 B16R0.6603 CCCCCCC(C)NCCCCCCCO 2230a_100011996573_100011215978 [1,1,0,0,0,0|1,0,1]=4 6986 B16R0.6603 CCCCCCC(C)NCCCCCCCO 270004a_100011996573_100000210826 [1,1,0,0,0,0|1,0,1]=4 6987 B16R0.6603 CCCCCCC(C)NCCCCCCCO 34a_100000210919_100000760002 [1,1,0,0,0,0|1,0,1]=4 6988 B16R0.6603 CCCCCCC(C)NCCCCCCCO 34a_100011996573_100011215978 [1,1,0,0,0,0|1,0,1]=4 6989 B16R0.6603 CCCCCCC(C)OCCCCCCCO 34a_100000210265_100000760002 [1,1,0,0,0,0|1,0,1]=4 6990 B16R0.6603 CCCCCCC(C)OCCCCCCCO 7a_100000210265_100000760002 [1,1,0,0,0,0|1,0,1]=4 6991 B16R0.6603 CCCCCCC(C)SCCCCCCCO 62a_100000760002_100011215978 [1,1,0,0,0,0|1,0,1]=4 6992 B16R0.6603 CCCCCCC(C)SCCCCCCCO 62a_100011215978_100000760002 [1,1,0,0,0,0|1,0,1]=4 6993 B16R0.6603 CCCCCCCCCC(=O)CCCCCO 1458a_100000210558_100000746330 [1,1,0,0,0,0|0,0,2]=4 6994 B16R0.6603 CCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210670 [1,1,0,0,0,0|0,0,2]=4 6995 B16R0.6603 CCCCCCCCCC(C)CNCCCO 270004a_100000182051_200011218516 [1,1,0,0,0,0|1,0,1]=4 6996 B16R0.6603 CCCCCCCCCC(C)NCCCCO 270004a_100000750430_100011215753 [1,1,0,0,0,0|1,0,1]=4 6997 B16R0.6603 CCCCCCCCCC(C)OCCCC=O 7a_100011218016_200011292268 [1,1,0,0,0,0|1,0,0]=3 6998 B16R0.6603 CCCCCCCCCC(C)OCCCCO 34a_100011218016_100011216708 [1,1,0,0,0,0|1,0,1]=4 6999 B16R0.6603 CCCCCCCCCC(C)OCCCCO 7a_100011218016_100000210776 [1,1,0,0,0,0|1,0,1]=4 7000 B16R0.6603 CCCCCCCCCN(C)CCCCC=O 2230a_100000232482_100000139335 [1,1,0,0,0,0|1,0,0]=3 7001 B16R0.6603 CCCCCCCCCN(C)CCCCC=O 269982a_100000232482_100000139335 [1,1,0,0,0,0|1,0,0]=3 7002 B16R0.6603 CCCCCCCCCN(C)CCCCCO 2230a_100000232482_100000746330 [1,1,0,0,0,0|1,0,1]=4 7003 B16R0.6603 CCCCCCCCCN(C)CCCCCO 2230a_100000722520_100011214924 [1,1,0,0,0,0|1,0,1]=4 7004 B16R0.6603 CCCCCCCCCN(C)CCCCCO 269982a_100000232482_100000746330 [1,1,0,0,0,0|1,0,1]=4 7005 B16R0.6603 CCCCCCCCCN(C)CCCCCO 269982a_100000722520_100000210670 [1,1,0,0,0,0|1,0,1]=4 7006 B16R0.6603 CCCCCCN(C)CCCCCCCCO 2230a_106256046315_100000033203 [1,1,0,0,0,0|1,0,1]=4 7007 B16R0.6603 CCCCCCN(C)CCCCCCCCO 269982a_106256046315_100000033203 [1,1,0,0,0,0|1,0,1]=4 7008 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [1,1,0,0,0,0|2,0,0]=4 7009 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [1,1,0,0,0,0|2,0,0]=4 7010 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [1,1,0,0,0,0|1,0,1]=4 7011 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [1,1,0,0,0,0|2,0,0]=4 7012 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [1,1,0,0,0,0|2,0,0]=4 7013 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [1,1,0,0,0,0|2,0,0]=4 7014 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [1,1,0,0,0,0|2,0,0]=4 7015 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [1,1,0,0,0,0|2,0,0]=4 7016 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [1,1,0,0,0,0|2,0,0]=4 7017 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [1,1,0,0,0,0|2,0,0]=4 7018 B16R0.114 CCCCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218727 [1,1,0,0,0,0|2,0,0]=4 7019 B16R0.114 CCCCCCCC(C)SCCCCC(=O)C 62a_200011218727_100000735457 [1,1,0,0,0,0|2,0,0]=4 7020 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [1,1,0,0,0,0|2,0,0]=4 7021 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [1,1,0,0,0,0|2,0,0]=4 7022 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [1,1,0,0,0,0|2,0,0]=4 7023 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [1,1,0,0,0,0|2,0,0]=4 7024 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [1,1,0,0,0,0|2,0,0]=4 7025 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [1,1,0,0,0,0|2,0,0]=4 7026 B16R0.165 CCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210414_200010167045 [1,1,0,0,0,0|1,0,1]=4 7027 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [1,1,0,0,0,0|2,0,0]=4 7028 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 2230a_100000225621_200010167045 [1,1,0,0,0,0|2,0,0]=4 7029 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 269982a_100000225621_200010167045 [1,1,0,0,0,0|2,0,0]=4 7030 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [1,1,0,0,0,0|2,0,0]=4 7031 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [1,1,0,0,0,0|2,0,0]=4 7032 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [1,1,0,0,0,0|2,0,0]=4 7033 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [1,1,0,0,0,0|2,0,0]=4 7034 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [1,1,0,0,0,0|2,0,0]=4 7035 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [1,1,0,0,0,0|2,0,0]=4 7036 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [1,1,0,0,0,0|2,0,0]=4 7037 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [1,1,0,0,0,0|2,0,0]=4 7038 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [1,1,0,0,0,0|2,0,0]=4 7039 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [1,1,0,0,0,0|2,0,0]=4 7040 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [1,1,0,0,0,0|1,0,1]=4 7041 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [1,1,0,0,0,0|2,0,0]=4 7042 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [1,1,0,0,0,0|2,0,0]=4 7043 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [1,1,0,0,0,0|2,0,0]=4 7044 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C 1458a_100000070787_200011217028 [1,1,0,0,0,0|1,0,0]=3 7045 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [1,1,0,0,0,0|2,0,0]=4 7046 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [1,1,0,0,0,0|2,0,0]=4 7047 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [1,1,0,0,0,0|2,0,0]=4 7048 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [1,1,0,0,0,0|2,0,0]=4 7049 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [1,1,0,0,0,0|2,0,0]=4 7050 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [1,1,0,0,0,0|2,0,0]=4 7051 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [1,1,0,0,0,0|2,0,0]=4 7052 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [1,1,0,0,0,0|2,0,0]=4 7053 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [1,1,0,0,0,0|2,0,0]=4 7054 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [1,1,0,0,0,0|1,0,1]=4 7055 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [1,1,0,0,0,0|1,0,0]=3 7056 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [1,1,0,0,0,0|2,0,0]=4 7057 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [1,1,0,0,0,0|2,0,0]=4 7058 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [1,1,0,0,0,0|2,0,0]=4 7059 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [1,1,0,0,0,0|2,0,0]=4 7060 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [1,1,0,0,0,0|2,0,0]=4 7061 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [1,1,0,0,0,0|2,0,0]=4 7062 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [1,1,0,0,0,0|2,0,0]=4 7063 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [1,1,0,0,0,0|2,0,0]=4 7064 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [1,1,0,0,0,0|1,0,1]=4 7065 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [1,1,0,0,0,0|1,0,1]=4 7066 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [1,1,0,0,0,0|2,0,0]=4 7067 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [1,1,0,0,0,0|2,0,0]=4 7068 B16R0.224 CCCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100011215454 [1,1,0,0,0,0|2,0,0]=4 7069 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [1,1,0,0,0,0|2,0,0]=4 7070 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [1,1,0,0,0,0|2,0,0]=4 7071 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [1,1,0,0,0,0|1,0,1]=4 7072 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [1,1,0,0,0,0|1,0,0]=3 7073 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [1,1,0,0,0,0|1,0,0]=3 7074 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [1,1,0,0,0,0|2,0,0]=4 7075 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [1,1,0,0,0,0|2,0,0]=4 7076 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [1,1,0,0,0,0|2,0,0]=4 7077 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [1,1,0,0,0,0|2,0,0]=4 7078 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [1,1,0,0,0,0|2,0,0]=4 7079 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [1,1,0,0,0,0|1,0,1]=4 7080 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [1,1,0,0,0,0|1,0,1]=4 7081 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [1,1,0,0,0,0|2,0,0]=4 7082 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [1,1,0,0,0,0|2,0,0]=4 7083 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [1,1,0,0,0,0|2,0,0]=4 7084 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [1,1,0,0,0,0|2,0,0]=4 7085 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [1,1,0,0,0,0|2,0,0]=4 7086 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [1,1,0,0,0,0|1,0,0]=3 7087 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [1,1,0,0,0,0|1,0,1]=4 7088 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [1,1,0,0,0,0|2,0,0]=4 7089 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [1,1,0,0,0,0|1,0,1]=4 7090 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [1,1,0,0,0,0|1,0,1]=4 7091 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [1,1,0,0,0,0|0,0,2]=4 7092 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [1,1,0,0,0,0|2,0,0]=4 7093 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [1,1,0,0,0,0|1,0,0]=3 7094 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [1,1,0,0,0,0|1,0,0]=3 7095 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [1,1,0,0,0,0|2,0,0]=4 7096 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [1,1,0,0,0,0|2,0,0]=4 7097 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [1,1,0,0,0,0|1,0,1]=4 7098 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [1,1,0,0,0,0|2,0,0]=4 7099 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [1,1,0,0,0,0|2,0,0]=4 7100 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [1,1,0,0,0,0|2,0,0]=4 7101 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [1,1,0,0,0,0|2,0,0]=4 7102 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [1,1,0,0,0,0|2,0,0]=4 7103 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [1,1,0,0,0,0|2,0,0]=4 7104 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [1,1,0,0,0,0|2,0,0]=4 7105 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [1,1,0,0,0,0|2,0,0]=4 7106 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [1,1,0,0,0,0|1,0,1]=4 7107 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [1,1,0,0,0,0|2,0,0]=4 7108 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [1,1,0,0,0,0|2,0,0]=4 7109 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [1,1,0,0,0,0|1,0,1]=4 7110 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [1,1,0,0,0,0|2,0,0]=4 7111 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [1,1,0,0,0,0|2,0,0]=4 7112 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [1,1,0,0,0,0|2,0,0]=4 7113 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [1,1,0,0,0,0|2,0,0]=4 7114 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [1,1,0,0,0,0|2,0,0]=4 7115 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [1,1,0,0,0,0|2,0,0]=4 7116 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [1,1,0,0,0,0|2,0,0]=4 7117 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [1,1,0,0,0,0|2,0,0]=4 7118 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [1,1,0,0,0,0|2,0,0]=4 7119 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [1,1,0,0,0,0|2,0,0]=4 7120 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [1,1,0,0,0,0|2,0,0]=4 7121 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [1,1,0,0,0,0|2,0,0]=4 7122 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [1,1,0,0,0,0|2,0,0]=4 7123 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [1,1,0,0,0,0|2,0,0]=4 7124 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [1,1,0,0,0,0|2,0,0]=4 7125 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [1,1,0,0,0,0|1,0,1]=4 7126 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [1,1,0,0,0,0|2,0,0]=4 7127 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [1,1,0,0,0,0|2,0,0]=4 7128 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [1,1,0,0,0,0|2,0,0]=4 7129 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [1,1,0,0,0,0|2,0,0]=4 7130 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [1,1,0,0,0,0|2,0,0]=4 7131 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [1,1,0,0,0,0|2,0,0]=4 7132 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [1,1,0,0,0,0|2,0,0]=4 7133 B18R0.39 CC(C)CCCC(C)CCNCCCCCC(=O)N 2230a_102516457229_100009817443 [0,2,0,0,0,0|2,0,0]=4 7134 B18R0.39 CC(C)CCCC(C)CCOCCCCCC(=O)N 34a_100000015991_100009817443 [0,2,0,0,0,0|2,0,0]=4 7135 B18R0.39 CC(C)CCCC(C)CCOCCCCCC(=O)N 34a_100000123541_100009816328 [0,2,0,0,0,0|2,0,0]=4 7136 B18R0.39 CC(C)CCCC(C)CCOCCCCCC(=O)N 7a_100000015991_100009817443 [0,2,0,0,0,0|2,0,0]=4 7137 B18R0.39 CC(C)CCCC(C)CCOCCCCCC(=O)N 7a_100000123541_100009816328 [0,2,0,0,0,0|2,0,0]=4 7138 B18R0.39 CC(C)CCCC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100009816328 [0,2,0,0,0,0|1,0,1]=4 7139 B18R0.39 CC(C)CCCC(C)CCSCCCCCC(=O)N 62a_100009816328_100009817443 [0,2,0,0,0,0|2,0,0]=4 7140 B18R0.39 CC(C)CCCC(C)CCSCCCCCC(=O)N 62a_100009817443_100009816328 [0,2,0,0,0,0|2,0,0]=4 7141 B18R0.233 C=CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100009814027 [0,2,0,0,0,0|0,0,2]=4 7142 B18R0.233 CC(CCCC(=O)[O-])OCCCCCCCCCO 7a_100000761597_100009813782 [0,2,0,0,0,0|1,0,1]=4 7143 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [0,2,0,0,0,0|1,0,0]=3 7144 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210736_100102525003 [0,2,0,0,0,0|1,0,0]=3 7145 B18R0.233 CCCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210736_200000718107 [0,2,0,0,0,0|1,0,1]=4 7146 B18R0.233 CCCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215454 [0,2,0,0,0,0|1,0,1]=4 7147 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215454 [0,2,0,0,0,0|1,0,1]=4 7148 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210736_100000189650 [0,2,0,0,0,0|1,0,1]=4 7149 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215454 [0,2,0,0,0,0|1,0,1]=4 7150 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210736_200000034859 [0,2,0,0,0,0|1,0,1]=4 7151 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210736_100009814007 [0,2,0,0,0,0|1,0,1]=4 7152 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210736_200011214921 [0,2,0,0,0,0|1,0,1]=4 7153 B18R0.233 CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215454 [0,2,0,0,0,0|1,0,1]=4 7154 B18R0.233 CCCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215454 [0,2,0,0,0,0|1,0,1]=4 7155 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210736 [0,2,0,0,0,0|1,0,1]=4 7156 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210736 [0,2,0,0,0,0|1,0,1]=4 7157 B18R0.233 CCCCCCCCCCCC(=O)OCCC(=O)C 1458a_100000070787_100000091854 [0,2,0,0,0,0|1,0,1]=4 7158 B18R0.233 CCCCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011216755 [0,2,0,0,0,0|1,0,1]=4 7159 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [0,2,0,0,0,0|1,0,0]=3 7160 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 34a_100011217895_100000731001 [0,2,0,0,0,0|1,0,0]=3 7161 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 7a_100011217895_100000744528 [0,2,0,0,0,0|1,0,0]=3 7162 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 34a_100011217895_100012276601 [0,2,0,0,0,0|1,0,1]=4 7163 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 7a_100011217895_100012276601 [0,2,0,0,0,0|1,0,1]=4 7164 B18R0.233 CCCCCCCCCCCC(C)OCOC(=O)C 34a_100011217895_100009813279 [0,2,0,0,0,0|2,0,0]=4 7165 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [0,2,0,0,0,0|0,0,0]=2 7166 B18R0.233 CCCCCCCCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000210668 [0,2,0,0,0,0|1,0,1]=4 7167 B18R0.233 CCCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210320 [0,2,0,0,0,0|0,0,1]=3 7168 B18R0.233 CN(CCCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813290 [0,2,0,0,0,0|1,0,0]=3 7169 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210375_100000741757 [0,2,0,0,0,0|1,0,1]=4 7170 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210375_100011218270 [0,2,0,0,0,0|0,0,1]=3 7171 B18R0.17427 CCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210319 [0,2,0,0,0,0|0,0,1]=3 7172 B18R0.17427 CCCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210319 [0,2,0,0,0,0|1,0,1]=4 7173 B18R0.17427 CCCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210375 [0,2,0,0,0,0|1,0,1]=4 7174 B18R0.17427 CCCCCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_200011219864 [0,2,0,0,0,0|2,0,0]=4 7175 B18R0.17427 CCCCCCCCCCC(C)OCCC(=O)NC 34a_100011215000_100012179268 [0,2,0,0,0,0|2,0,0]=4 7176 B18R0.17427 CCCCCCCCCCC(C)OCCC(=O)NC 7a_100011215000_100000737683 [0,2,0,0,0,0|2,0,0]=4 7177 B18R0.17427 CCCCCCCCCCC(C)OCCC(=O)OC 34a_100011215000_100000742370 [0,2,0,0,0,0|1,0,0]=3 7178 B18R0.17427 CCCCCCCCCCC(C)OCCC(=O)OC 7a_100011215000_100000204255 [0,2,0,0,0,0|1,0,0]=3 7179 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)NC 2230a_100000207566_100000741757 [0,2,0,0,0,0|2,0,0]=4 7180 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)NC 269982a_100000207566_100000741757 [0,2,0,0,0,0|2,0,0]=4 7181 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)OC 2230a_100000207566_100011218270 [0,2,0,0,0,0|1,0,0]=3 7182 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)OC 269982a_100000207566_100011218270 [0,2,0,0,0,0|1,0,0]=3 7183 B18R0.17427 CCCCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210320 [0,2,0,0,0,0|1,0,0]=3 7184 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 11a_100000212291_100000239890 [0,2,0,0,0,0|1,0,1]=4 7185 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000212291_100000239890 [0,2,0,0,0,0|1,0,1]=4 7186 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000212291_100000239890 [0,2,0,0,0,0|1,0,1]=4 7187 B18R0.17427 CCCCCCCCCNC(=O)CCCC(=O)OC 527a_100000212291_100000239890 [0,2,0,0,0,0|1,0,1]=4 7188 B18R0.17427 CCCCCCCCOCC(=O)CCCC(=O)OC 1458a_100000759886_100011218270 [0,2,0,0,0,0|1,0,1]=4 7189 B18R0.17427 COC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011218270 [0,2,0,0,0,0|1,0,1]=4 7190 B18R0.17427 COC(=O)CCCC(=O)CCCCCCCCCO 1458a_100000239890_100009813782 [0,2,0,0,0,0|1,0,1]=4 7191 B18R0.17427 COC(=O)CCCN(C)CCCCCCCCCO 269982a_100000739225_100009813782 [0,2,0,0,0,0|2,0,0]=4 7192 B18R0.20350 CCCCCCCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_200011219864 [0,2,0,0,0,0|2,0,0]=4 7193 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210183_200010167045 [0,2,0,0,0,0|1,0,0]=3 7194 B18R0.2 CCCCC(C)CCCCOCCCCCB(O)O 34a_200011021034_200009817188 [0,2,0,0,0,0|1,0,1]=4 7195 B18R0.2 CCCCC(C)CCCCOCCCCCB(O)O 7a_200011021034_200009817188 [0,2,0,0,0,0|1,0,1]=4 7196 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 34a_200011021034_100009817443 [0,2,0,0,0,0|1,0,0]=3 7197 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 7a_200011021034_100009817443 [0,2,0,0,0,0|1,0,0]=3 7198 B18R0.2 CCCCC(C)CCCCOCCCCOC(=O)C 34a_200011021034_100000033659 [0,2,0,0,0,0|2,0,0]=4 7199 B18R0.2 CCCCC(C)CCCCOCCCCOC(=O)C 7a_200011021034_100000033659 [0,2,0,0,0,0|2,0,0]=4 7200 B18R0.2 CCCCC(C)CCCCOCCCCSC(=O)C 34a_200011021034_200010402107 [0,2,0,0,0,0|2,0,0]=4 7201 B18R0.2 CCCCC(C)CCCCOCCCCSC(=O)C 7a_200011021034_200010402107 [0,2,0,0,0,0|2,0,0]=4 7202 B18R0.2 CCCCN(C)CCCCCCCCCCC(=O)N 2230a_100000207549_200010167045 [0,2,0,0,0,0|1,0,0]=3 7203 B18R0.2 CCCCN(C)CCCCCCCCCCC(=O)N 269982a_100000207549_200010167045 [0,2,0,0,0,0|1,0,0]=3 7204 B18R0.2 CCOCC(=O)CCCCCCCCCCC(=O)N 1458a_100000211967_200010167045 [0,2,0,0,0,0|1,0,1]=4 7205 B18R0.2 CCSCC(=O)CCCCCCCCCCC(=O)N 1458a_100000230394_200010167045 [0,2,0,0,0,0|1,0,1]=4 7206 B18R0.2 CN(CCCO)CCCCCCCCCCC(=O)N 2230a_100000213112_200010167045 [0,2,0,0,0,0|2,0,0]=4 7207 B18R0.2 CN(CCCO)CCCCCCCCCCC(=O)N 269982a_100000213112_200010167045 [0,2,0,0,0,0|2,0,0]=4 7208 B18R0.2 COCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000749529_200010167045 [0,2,0,0,0,0|1,0,1]=4 7209 B18R0.2 COCCN(C)CCCCCCCCCCC(=O)N 2230a_100000743101_200010167045 [0,2,0,0,0,0|2,0,0]=4 7210 B18R0.2 COCCN(C)CCCCCCCCCCC(=O)N 269982a_100000743101_200010167045 [0,2,0,0,0,0|2,0,0]=4 7211 B18R0.2 CSCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000174002_200010167045 [0,2,0,0,0,0|1,0,1]=4 7212 B18R0.2 CSCCN(C)CCCCCCCCCCC(=O)N 2230a_100000686725_200010167045 [0,2,0,0,0,0|2,0,0]=4 7213 B18R0.2 CSCCN(C)CCCCCCCCCCC(=O)N 269982a_100000686725_200010167045 [0,2,0,0,0,0|2,0,0]=4 7214 B18R0.94 CCCCCCCCC(=O)CCCCCCB(O)O 1458a_100000210188_100009817187 [0,2,0,0,0,0|1,0,1]=4 7215 B18R0.94 CCCCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210759 [0,2,0,0,0,0|1,0,1]=4 7216 B18R0.94 CCCCCCCCC(=O)CCCCCOC(=O)C 1458a_100000210188_100000033007 [0,2,0,0,0,0|1,0,1]=4 7217 B18R0.94 CCCCCCCCC(C)CNCCCCC(=O)N 270004a_100000696515_100011995885 [0,2,0,0,0,0|1,0,0]=3 7218 B18R0.94 CCCCCCCCC(C)CNCCCNC(=O)C 270004a_100000736810_100011995885 [0,2,0,0,0,0|2,0,0]=4 7219 B18R0.94 CCCCCCCCC(C)COCCCCB(O)O 34a_200012125181_200009817182 [0,2,0,0,0,0|1,0,1]=4 7220 B18R0.94 CCCCCCCCC(C)COCCCCB(O)O 7a_200012125181_200009817182 [0,2,0,0,0,0|1,0,1]=4 7221 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 34a_200012125181_100009817362 [0,2,0,0,0,0|1,0,0]=3 7222 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 7a_200012125181_100000735457 [0,2,0,0,0,0|1,0,0]=3 7223 B18R0.94 CCCCCCCCC(C)COCCCOC(=O)C 34a_200012125181_100000042594 [0,2,0,0,0,0|2,0,0]=4 7224 B18R0.94 CCCCCCCCC(C)COCCCOC(=O)C 7a_200012125181_100000042594 [0,2,0,0,0,0|2,0,0]=4 7225 B18R0.94 CCCCCCCCC(C)COCCCSC(=O)C 34a_200012125181_100000038929 [0,2,0,0,0,0|2,0,0]=4 7226 B18R0.94 CCCCCCCCC(C)COCCCSC(=O)C 7a_200012125181_100000038929 [0,2,0,0,0,0|2,0,0]=4 7227 B18R0.94 CCCCCCCCC(C)COCCOCC(=O)N 34a_200012125181_100000076697 [0,2,0,0,0,0|2,0,0]=4 7228 B18R0.94 CCCCCCCCC(C)COCCOCC(=O)N 7a_200012125181_100000076697 [0,2,0,0,0,0|2,0,0]=4 7229 B18R0.94 CCCCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100011216694 [0,2,0,0,0,0|2,0,0]=4 7230 B18R0.94 CCCCCCCCC(C)OCCCCCB(O)O 34a_100000210740_200009817188 [0,2,0,0,0,0|1,0,1]=4 7231 B18R0.94 CCCCCCCCC(C)OCCCCCB(O)O 7a_100000210740_200009817188 [0,2,0,0,0,0|1,0,1]=4 7232 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 34a_100000210740_100009817443 [0,2,0,0,0,0|1,0,0]=3 7233 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 7a_100000210740_100009817443 [0,2,0,0,0,0|1,0,0]=3 7234 B18R0.94 CCCCCCCCC(C)OCCCCOC(=O)C 34a_100000210740_100000033659 [0,2,0,0,0,0|2,0,0]=4 7235 B18R0.94 CCCCCCCCC(C)OCCCCOC(=O)C 7a_100000210740_100000033659 [0,2,0,0,0,0|2,0,0]=4 7236 B18R0.94 CCCCCCCCC(C)OCCCCSC(=O)C 34a_100000210740_200010402107 [0,2,0,0,0,0|2,0,0]=4 7237 B18R0.94 CCCCCCCCC(C)OCCCCSC(=O)C 7a_100000210740_200010402107 [0,2,0,0,0,0|2,0,0]=4 7238 B18R0.94 CCCCCCCCN(C)CCCCCCB(O)O 2230a_100000207567_100009817187 [0,2,0,0,0,0|1,0,1]=4 7239 B18R0.94 CCCCCCCCN(C)CCCCCCB(O)O 269982a_100000207567_100009817187 [0,2,0,0,0,0|1,0,1]=4 7240 B18R0.94 CCCCCCCCN(C)CCCCCOC(=O)C 2230a_100000207567_100009813381 [0,2,0,0,0,0|2,0,0]=4 7241 B18R0.94 CCCCCCCCN(C)CCCCCOC(=O)C 269982a_100000207567_100000033007 [0,2,0,0,0,0|2,0,0]=4 7242 B18R0.114 C=C(C)CCOCCCCCCCCCC(=O)OC 34a_100000764851_100009813843 [0,2,0,0,0,0|1,0,1]=4 7243 B18R0.114 C=C(C)CCSCCCCCCCCCC(=O)OC 62a_100000730704_100009813843 [0,2,0,0,0,0|1,0,1]=4 7244 B18R0.114 C=C(C)COCCCCCCCCCCC(=O)OC 34a_100000210245_100009812566 [0,2,0,0,0,0|1,0,1]=4 7245 B18R0.114 C=C(C)COCCCCCCCCCCC(=O)OC 34a_100011003013_100000748629 [0,2,0,0,0,0|1,0,1]=4 7246 B18R0.114 C=C(C)COCCCCCCCCCCC(=O)OC 7a_100011003013_100000748629 [0,2,0,0,0,0|1,0,1]=4 7247 B18R0.114 C=C(C)CSCCCCCCCCCCC(=O)OC 62a_100000748629_100009812566 [0,2,0,0,0,0|1,0,1]=4 7248 B18R0.114 C=CC(C)COCCCCCCCCCCC(=O)N 34a_100011215527_200010167045 [0,2,0,0,0,0|2,0,0]=4 7249 B18R0.114 C=CC(C)COCCCCCCCCCCC(=O)N 7a_100011215527_200010167045 [0,2,0,0,0,0|2,0,0]=4 7250 B18R0.114 CC(=O)SCCCCCCCCCCCC(=O)CO 1458a_100000210174_100010140907 [0,2,0,0,0,0|1,0,1]=4 7251 B18R0.114 CC(CN)COCCCCCCCCCCC(=O)N 34a_100000744482_200010167045 [0,2,0,0,0,0|2,0,0]=4 7252 B18R0.114 CC(CO)CNCCCCCCCCCCC(=O)N 34a_100000744482_200010167045 [0,2,0,0,0,0|2,0,0]=4 7253 B18R0.114 CCC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000210414_100010140907 [0,2,0,0,0,0|1,0,1]=4 7254 B18R0.114 CCC(=O)COCCCCCCCCCCC(=O)N 34a_100000725409_200010167045 [0,2,0,0,0,0|1,0,1]=4 7255 B18R0.114 CCC(=O)CSCCCCCCCCCCC(=O)N 62a_100000747405_200010167045 [0,2,0,0,0,0|1,0,1]=4 7256 B18R0.114 CCC(=O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000747405 [0,2,0,0,0,0|1,0,1]=4 7257 B18R0.114 CCC(C)CCCCCOCCCCCCB(O)O 7a_200000035636_100009817187 [0,2,0,0,0,0|1,0,1]=4 7258 B18R0.114 CCC(C)CCCCCOCCCCCOC(=O)C 7a_200000035636_100000033007 [0,2,0,0,0,0|2,0,0]=4 7259 B18R0.114 CCC(C)CNCCCCCCCCCCC(=O)N 2230a_100020588543_200010167045 [0,2,0,0,0,0|1,0,0]=3 7260 B18R0.114 CCC(C)CSCCCCCCCCCCC(=O)N 62a_100000748023_200010167045 [0,2,0,0,0,0|1,0,0]=3 7261 B18R0.114 CCC(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000748023 [0,2,0,0,0,0|1,0,0]=3 7262 B18R0.114 CCC(O)CNCCCCCCCCCCC(=O)N 2230a_100011218483_200010167045 [0,2,0,0,0,0|1,0,0]=3 7263 B18R0.114 CCC(O)CSCCCCCCCCCCC(=O)N 62a_100011218378_200010167045 [0,2,0,0,0,0|1,0,0]=3 7264 B18R0.114 CCC(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011218378 [0,2,0,0,0,0|1,0,0]=3 7265 B18R0.114 CCN(C)CCCCCCCCCCCSC(=O)C 2230a_100000225621_100010140907 [0,2,0,0,0,0|2,0,0]=4 7266 B18R0.114 CCN(C)CCCCCCCCCCCSC(=O)C 269982a_100000225621_100010140907 [0,2,0,0,0,0|2,0,0]=4 7267 B18R0.114 CC[C@H](C)COCCCCCCCCCCC(=O)N 7a_100009816381_200010167045 [0,2,0,0,0,0|1,0,0]=3 7268 B18R0.114 CC[C@H](C)CSCCCCCCCCCCC(=O)N 62a_100009816398_200010167045 [0,2,0,0,0,0|1,0,0]=3 7269 B18R0.114 CC[C@H](C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100009816398 [0,2,0,0,0,0|1,0,0]=3 7270 B18R0.114 COC(=O)CCCCCCCCCCCCC(=O)C 1458a_100000070787_209314222159 [0,2,0,0,0,0|0,0,1]=3 7271 B18R0.114 COC(=O)CCCCCCCCCCCCN(C)C 2230a_100102631434_209314222159 [0,2,0,0,0,0|1,0,0]=3 7272 B18R0.114 COC(=O)CCCCCCCCCCCCN(C)C 269982a_100102631434_209314222159 [0,2,0,0,0,0|1,0,0]=3 7273 B18R0.114 COC(=O)CCCCCCCCCCCNC(=O)C 188690a_200020660844_100015343762 [0,2,0,0,0,0|1,0,1]=4 7274 B18R0.114 COC(=O)CCCCCCCCCCCNC(C)C 2230a_100138425928_100010983606 [0,2,0,0,0,0|1,0,0]=3 7275 B18R0.114 COC(=O)CCCCCCCCCCCNC(C)C 34a_100138425928_100010983606 [0,2,0,0,0,0|1,0,0]=3 7276 B18R0.114 COC(=O)CCCCCCCCCCCOC(C)C 34a_100000212225_100010983606 [0,2,0,0,0,0|1,0,0]=3 7277 B18R0.114 COC(=O)CCCCCCCCCCCSC(C)C 62a_100000210206_100010983606 [0,2,0,0,0,0|1,0,0]=3 7278 B18R0.114 COC(=O)CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009812566 [0,2,0,0,0,0|1,0,1]=4 7279 B18R0.114 COC(=O)CCCCCCCCCCNCC(C)C 2230a_100000210953_100009812566 [0,2,0,0,0,0|1,0,0]=3 7280 B18R0.114 COC(=O)CCCCCCCCCCNCC(C)C 34a_100000210953_100009812566 [0,2,0,0,0,0|1,0,0]=3 7281 B18R0.114 COC(=O)CCCCCCCCCCNCC(C)O 2230a_100000210904_100009812566 [0,2,0,0,0,0|1,0,0]=3 7282 B18R0.114 COC(=O)CCCCCCCCCCNCC(C)O 34a_100000210904_100009812566 [0,2,0,0,0,0|1,0,0]=3 7283 B18R0.114 COC(=O)CCCCCCCCCCNCC(F)F 34a_100000765723_100009812566 [0,2,0,0,0,0|2,0,0]=4 7284 B18R0.114 COC(=O)CCCCCCCCCCOCC(=O)C 34a_100000211253_100009812566 [0,2,0,0,0,0|1,0,1]=4 7285 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)Br 34a_100012180447_100009812566 [0,2,0,0,0,0|1,0,0]=3 7286 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)C 34a_100000210257_100009812566 [0,2,0,0,0,0|1,0,0]=3 7287 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)C 34a_100011003013_100000210624 [0,2,0,0,0,0|1,0,0]=3 7288 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)C 7a_100011003013_100000210760 [0,2,0,0,0,0|1,0,0]=3 7289 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)F 34a_100015925927_100009812566 [0,2,0,0,0,0|1,0,0]=3 7290 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)O 34a_100011003013_100011218427 [0,2,0,0,0,0|1,0,0]=3 7291 B18R0.114 COC(=O)CCCCCCCCCCOCC(C)O 7a_100011003013_100011218427 [0,2,0,0,0,0|1,0,0]=3 7292 B18R0.114 COC(=O)CCCCCCCCCCOCC(F)F 34a_100000743014_100009812566 [0,2,0,0,0,0|2,0,0]=4 7293 B18R0.114 COC(=O)CCCCCCCCCCOCC(F)F 34a_100011003013_100011934356 [0,2,0,0,0,0|2,0,0]=4 7294 B18R0.114 COC(=O)CCCCCCCCCCOCC(F)F 7a_100011003013_100011934356 [0,2,0,0,0,0|2,0,0]=4 7295 B18R0.114 COC(=O)CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100009812566 [0,2,0,0,0,0|1,0,0]=3 7296 B18R0.114 COC(=O)CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100009812566 [0,2,0,0,0,0|1,0,0]=3 7297 B18R0.114 COC(=O)CCCCCCCCCCOC[C@@H](C)O 34a_100011003013_100009817552 [0,2,0,0,0,0|1,0,0]=3 7298 B18R0.114 COC(=O)CCCCCCCCCCOC[C@@H](C)O 7a_100011003013_100009817552 [0,2,0,0,0,0|1,0,0]=3 7299 B18R0.114 COC(=O)CCCCCCCCCCSCC(C)C 62a_100000210624_100009812566 [0,2,0,0,0,0|1,0,0]=3 7300 B18R0.114 COC(=O)CCCCCCCCCCSCC(C)O 62a_100011218427_100009812566 [0,2,0,0,0,0|1,0,0]=3 7301 B18R0.114 COC(=O)CCCCCCCCCCSCC(F)F 62a_100011934356_100009812566 [0,2,0,0,0,0|2,0,0]=4 7302 B18R0.114 COC(=O)CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100009812566 [0,2,0,0,0,0|1,0,0]=3 7303 B18R0.114 COC(=O)CCCCCCCCCNCCC(C)O 2230a_200000755665_100009813843 [0,2,0,0,0,0|1,0,0]=3 7304 B18R0.114 COC(=O)CCCCCCCCCOCCC(=O)C 34a_100000759926_100009813843 [0,2,0,0,0,0|1,0,1]=4 7305 B18R0.114 COC(=O)CCCCCCCCCOCCC(=O)C 7a_100000759926_100009813843 [0,2,0,0,0,0|1,0,1]=4 7306 B18R0.114 COC(=O)CCCCCCCCCOCCC(C)Br 34a_100009893172_100009813843 [0,2,0,0,0,0|1,0,0]=3 7307 B18R0.114 COC(=O)CCCCCCCCCOCCC(C)C 34a_100000210254_100009813843 [0,2,0,0,0,0|1,0,0]=3 7308 B18R0.114 COC(=O)CCCCCCCCCOCCC(C)C 7a_100000210254_100009813843 [0,2,0,0,0,0|1,0,0]=3 7309 B18R0.114 COC(=O)CCCCCCCCCOCCC(F)F 34a_100103093639_100009813843 [0,2,0,0,0,0|2,0,0]=4 7310 B18R0.114 COC(=O)CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100009813843 [0,2,0,0,0,0|1,0,0]=3 7311 B18R0.114 COC(=O)CCCCCCCCCSCCC(=O)C 62a_100000053229_100009813843 [0,2,0,0,0,0|1,0,1]=4 7312 B18R0.114 COC(=O)CCCCCCCCCSCCC(C)C 62a_100000210312_100009813843 [0,2,0,0,0,0|1,0,0]=3 7313 B18R0.114 COC(=O)CCCCCCCCCSCCC(C)O 62a_100012276601_100009813843 [0,2,0,0,0,0|1,0,0]=3 7314 B18R0.114 COC(=O)CCCCCCCCCSCOC(C)C 62a_100000709892_100009813843 [0,2,0,0,0,0|2,0,0]=4 7315 B18R0.114 COC(=O)CCCCCCCCNCCCC(C)C 2230a_200000737386_100010282707 [0,2,0,0,0,0|1,0,0]=3 7316 B18R0.114 COC(=O)CCCCCCCCNCCCC(C)C 34a_200000737386_100010282707 [0,2,0,0,0,0|1,0,0]=3 7317 B18R0.114 COC(=O)CCCCCCCCNCCCS(=O)C 2230a_200000753449_100010282707 [0,2,0,0,0,0|2,0,0]=4 7318 B18R0.114 COC(=O)CCCCCCCCNCCOC(C)C 2230a_100000701111_100010282707 [0,2,0,0,0,0|2,0,0]=4 7319 B18R0.114 COC(=O)CCCCCCCCNCCOC(C)C 34a_100000701111_100010282707 [0,2,0,0,0,0|2,0,0]=4 7320 B18R0.114 COC(=O)CCCCCCCCNCCSC(C)C 2230a_100000731138_100010282707 [0,2,0,0,0,0|2,0,0]=4 7321 B18R0.114 COC(=O)CCCCCCCCNCCSC(C)C 34a_100000731138_100010282707 [0,2,0,0,0,0|2,0,0]=4 7322 B18R0.114 COC(=O)CCCCCCCCOCCCC(=O)C 34a_100000035544_100000685027 [0,2,0,0,0,0|1,0,1]=4 7323 B18R0.114 COC(=O)CCCCCCCCOCCCC(=O)C 34a_100000759063_100010282707 [0,2,0,0,0,0|1,0,1]=4 7324 B18R0.114 COC(=O)CCCCCCCCOCCCC(=O)C 7a_100000035544_100011215641 [0,2,0,0,0,0|1,0,1]=4 7325 B18R0.114 COC(=O)CCCCCCCCOCCCC(=O)C 7a_100000759063_100010282707 [0,2,0,0,0,0|1,0,1]=4 7326 B18R0.114 COC(=O)CCCCCCCCOCCCC(C)C 34a_100000035544_100011214892 [0,2,0,0,0,0|1,0,0]=3 7327 B18R0.114 COC(=O)CCCCCCCCOCCCC(C)C 34a_100000210774_100010282707 [0,2,0,0,0,0|1,0,0]=3 7328 B18R0.114 COC(=O)CCCCCCCCOCCCC(C)C 7a_100000035544_100011214892 [0,2,0,0,0,0|1,0,0]=3 7329 B18R0.114 COC(=O)CCCCCCCCOCCCC(C)C 7a_100000210774_100010282707 [0,2,0,0,0,0|1,0,0]=3 7330 B18R0.114 COC(=O)CCCCCCCCOCCCC(C)O 34a_100000035544_200000718107 [0,2,0,0,0,0|1,0,0]=3 7331 B18R0.114 COC(=O)CCCCCCCCOCCCC(C)O 7a_100000035544_200000718107 [0,2,0,0,0,0|1,0,0]=3 7332 B18R0.114 COC(=O)CCCCCCCCOCCCN(C)C 7a_100000035544_100000757444 [0,2,0,0,0,0|2,0,0]=4 7333 B18R0.114 COC(=O)CCCCCCCCOCCNC(C)C 34a_100000224655_100010282707 [0,2,0,0,0,0|2,0,0]=4 7334 B18R0.114 COC(=O)CCCCCCCCOCCOC(C)C 34a_100000035544_100000211751 [0,2,0,0,0,0|2,0,0]=4 7335 B18R0.114 COC(=O)CCCCCCCCOCCOC(C)C 34a_100000211219_100010282707 [0,2,0,0,0,0|2,0,0]=4 7336 B18R0.114 COC(=O)CCCCCCCCOCCOC(C)C 7a_100000035544_100000211751 [0,2,0,0,0,0|2,0,0]=4 7337 B18R0.114 COC(=O)CCCCCCCCOCCOC(C)C 7a_100000211219_100010282707 [0,2,0,0,0,0|2,0,0]=4 7338 B18R0.114 COC(=O)CCCCCCCCOCCSC(C)C 34a_100000035544_100000730970 [0,2,0,0,0,0|2,0,0]=4 7339 B18R0.114 COC(=O)CCCCCCCCOCCSC(C)C 34a_200011212901_100010282707 [0,2,0,0,0,0|2,0,0]=4 7340 B18R0.114 COC(=O)CCCCCCCCOCCSC(C)C 7a_100000035544_100000730970 [0,2,0,0,0,0|2,0,0]=4 7341 B18R0.114 COC(=O)CCCCCCCCOCCSC(C)C 7a_200011212901_100010282707 [0,2,0,0,0,0|2,0,0]=4 7342 B18R0.114 COC(=O)CCCCCCCCSCCCC(=O)C 62a_100010282707_100011215641 [0,2,0,0,0,0|1,0,1]=4 7343 B18R0.114 COC(=O)CCCCCCCCSCCCC(=O)C 62a_100011215641_100010282707 [0,2,0,0,0,0|1,0,1]=4 7344 B18R0.114 COC(=O)CCCCCCCCSCCCC(C)C 62a_100010282707_100011214892 [0,2,0,0,0,0|1,0,0]=3 7345 B18R0.114 COC(=O)CCCCCCCCSCCCC(C)C 62a_100011214892_100010282707 [0,2,0,0,0,0|1,0,0]=3 7346 B18R0.114 COC(=O)CCCCCCCCSCCCC(C)O 62a_100010282707_200000718107 [0,2,0,0,0,0|1,0,0]=3 7347 B18R0.114 COC(=O)CCCCCCCCSCCCC(C)O 62a_200000718107_100010282707 [0,2,0,0,0,0|1,0,0]=3 7348 B18R0.114 COC(=O)CCCCCCCCSCCCN(C)C 62a_100010282707_100000757444 [0,2,0,0,0,0|2,0,0]=4 7349 B18R0.114 COC(=O)CCCCCCCCSCCOC(C)C 62a_100000211751_100010282707 [0,2,0,0,0,0|2,0,0]=4 7350 B18R0.114 COC(=O)CCCCCCCCSCCOC(C)C 62a_100010282707_100000211751 [0,2,0,0,0,0|2,0,0]=4 7351 B18R0.114 COC(=O)CCCCCCCCSCCSC(C)C 62a_100000730970_100010282707 [0,2,0,0,0,0|2,0,0]=4 7352 B18R0.114 COC(=O)CCCCCCCCSCCSC(C)C 62a_100010282707_100000730970 [0,2,0,0,0,0|2,0,0]=4 7353 B18R0.114 COC(=O)CCCCCCCNCCCOC(C)C 2230a_100000737246_100010004213 [0,2,0,0,0,0|2,0,0]=4 7354 B18R0.114 COC(=O)CCCCCCCNCCCOC(C)C 34a_100000737246_100010004213 [0,2,0,0,0,0|2,0,0]=4 7355 B18R0.114 COC(=O)CCCCCCCOCCCCC(=O)C 34a_100011022521_100009817362 [0,2,0,0,0,0|1,0,1]=4 7356 B18R0.114 COC(=O)CCCCCCCOCCCCC(=O)C 7a_100011022521_100000735457 [0,2,0,0,0,0|1,0,1]=4 7357 B18R0.114 COC(=O)CCCCCCCOCCCCC(C)C 34a_100011022521_100011216152 [0,2,0,0,0,0|1,0,0]=3 7358 B18R0.114 COC(=O)CCCCCCCOCCCCC(C)C 34a_100011214890_100010004213 [0,2,0,0,0,0|1,0,0]=3 7359 B18R0.114 COC(=O)CCCCCCCOCCCCC(C)C 7a_100011022521_100011216152 [0,2,0,0,0,0|1,0,0]=3 7360 B18R0.114 COC(=O)CCCCCCCOCCCCC(C)C 7a_100011214890_100010004213 [0,2,0,0,0,0|1,0,0]=3 7361 B18R0.114 COC(=O)CCCCCCCOCCCNC(C)C 34a_100000182298_100010004213 [0,2,0,0,0,0|2,0,0]=4 7362 B18R0.114 COC(=O)CCCCCCCOCCNCC(C)C 34a_100015185251_100010004213 [0,2,0,0,0,0|2,0,0]=4 7363 B18R0.114 COC(=O)CCCCCCCOCCOCC(C)C 34a_100000703358_100010004213 [0,2,0,0,0,0|2,0,0]=4 7364 B18R0.114 COC(=O)CCCCCCCOCCOCC(C)C 7a_100000703358_100010004213 [0,2,0,0,0,0|2,0,0]=4 7365 B18R0.114 COC(=O)CCCCCCCOCCSCC(C)C 34a_200000230437_100010004213 [0,2,0,0,0,0|2,0,0]=4 7366 B18R0.114 COC(=O)CCCCCCCOCCSCC(C)C 7a_200000230437_100010004213 [0,2,0,0,0,0|2,0,0]=4 7367 B18R0.114 COC(=O)CCCCCCCSCCCCC(=O)C 62a_100000735457_100010004213 [0,2,0,0,0,0|1,0,1]=4 7368 B18R0.114 COC(=O)CCCCCCCSCCCCC(=O)C 62a_100010004213_100000735457 [0,2,0,0,0,0|1,0,1]=4 7369 B18R0.114 COC(=O)CCCCCCCSCCCCC(C)C 62a_100010004213_100011216152 [0,2,0,0,0,0|1,0,0]=3 7370 B18R0.114 COC(=O)CCCCCCCSCCCCC(C)C 62a_100011216152_100010004213 [0,2,0,0,0,0|1,0,0]=3 7371 B18R0.114 COC(=O)CCCCCCCSCCCCN(C)C 62a_100010004213_100000690147 [0,2,0,0,0,0|2,0,0]=4 7372 B18R0.114 COC(=O)CCCCCCNCCCCCC(C)C 2230a_100011290863_100009815986 [0,2,0,0,0,0|1,0,0]=3 7373 B18R0.114 COC(=O)CCCCCCNCCCCCC(C)C 34a_100011290863_100009815986 [0,2,0,0,0,0|1,0,0]=3 7374 B18R0.114 COC(=O)CCCCCCNCCCOCC(C)C 2230a_100000205972_100009815986 [0,2,0,0,0,0|2,0,0]=4 7375 B18R0.114 COC(=O)CCCCCCNCCCOCC(C)C 34a_100000205972_100009815986 [0,2,0,0,0,0|2,0,0]=4 7376 B18R0.114 COC(=O)CCCCCCOCCCCCC(C)C 34a_100009863599_100000210682 [0,2,0,0,0,0|1,0,0]=3 7377 B18R0.114 COC(=O)CCCCCCOCCCCCC(C)C 34a_100011995859_100009815986 [0,2,0,0,0,0|1,0,0]=3 7378 B18R0.114 COC(=O)CCCCCCOCCCCCC(C)C 7a_100009863599_100000210682 [0,2,0,0,0,0|1,0,0]=3 7379 B18R0.114 COC(=O)CCCCCCOCCCCCC(C)C 7a_100011995859_100009815986 [0,2,0,0,0,0|1,0,0]=3 7380 B18R0.114 COC(=O)CCCCCCOCCCCNC(C)C 34a_100011521146_100009815986 [0,2,0,0,0,0|2,0,0]=4 7381 B18R0.114 COC(=O)CCCCCCSCCCCCC(C)C 62a_100000210682_100009815986 [0,2,0,0,0,0|1,0,0]=3 7382 B18R0.114 COC(=O)CCCCCCSCCCCCC(C)C 62a_100009815986_100000210682 [0,2,0,0,0,0|1,0,0]=3 7383 B18R0.114 COC(=O)CCCCCNCCCCCCC(C)C 2230a_100000211014_100009816466 [0,2,0,0,0,0|1,0,0]=3 7384 B18R0.114 COC(=O)CCCCCNCCCCCCC(C)C 34a_100000211014_100009816466 [0,2,0,0,0,0|1,0,0]=3 7385 B18R0.114 COC(=O)CCCCCOCCCCCNC(C)C 34a_100011629493_100009816466 [0,2,0,0,0,0|2,0,0]=4 7386 B18R0.114 COC(=O)CCCCOCCCCCCCC(C)C 34a_200000210741_100000204269 [0,2,0,0,0,0|1,0,0]=3 7387 B18R0.114 COC(=O)CCCCOCCCCCCCC(C)C 7a_200000210741_100000204269 [0,2,0,0,0,0|1,0,0]=3 7388 B18R0.114 COC(=O)COCCOCCCCCCCC(C)C 34a_200000210741_100000090808 [0,2,0,0,0,0|2,0,0]=4 7389 B18R0.114 COC(=O)COCCOCCCCCCCC(C)C 7a_200000210741_100000090808 [0,2,0,0,0,0|2,0,0]=4 7390 B18R0.114 COC(C)COCCCCCCCCCCC(=O)N 34a_100000690652_200010167045 [0,2,0,0,0,0|2,0,0]=4 7391 B18R0.114 CO[C@H](C)CNCCCCCCCCCCC(=O)N 2230a_100020591295_200010167045 [0,2,0,0,0,0|2,0,0]=4 7392 B18R0.114 C[C@@H](CO)CSCCCCCCCCCCC(=O)N 62a_100000059175_200010167045 [0,2,0,0,0,0|2,0,0]=4 7393 B18R0.114 C[C@@H](CO)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000059175 [0,2,0,0,0,0|2,0,0]=4 7394 B18R0.114 NC(=O)CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_200010167045 [0,2,0,0,0,0|2,0,0]=4 7395 B18R0.114 NC(=O)CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_200010167045 [0,2,0,0,0,0|2,0,0]=4 7396 B18R0.114 NC(=O)CCCCCCCCCCOCC(Cl)CCl 34a_100000033668_200010167045 [0,2,0,0,0,0|2,0,0]=4 7397 B18R0.114 NC(=O)CCCCCCCCCCSCC(O)CO 62a_100011219619_200010167045 [0,2,0,0,0,0|2,0,0]=4 7398 B18R0.114 NC(=O)CCCCCCCCCCSCC(O)CO 62a_200010167045_100011219619 [0,2,0,0,0,0|2,0,0]=4 7399 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_200010167045 [0,2,0,0,0,0|2,0,0]=4 7400 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CF 62a_200010167045_100015614560 [0,2,0,0,0,0|2,0,0]=4 7401 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_200010167045 [0,2,0,0,0,0|2,0,0]=4 7402 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CO 62a_200010167045_100009815848 [0,2,0,0,0,0|2,0,0]=4 7403 B18R0.114 NC[C@@H](F)COCCCCCCCCCCC(=O)N 34a_100015665980_200010167045 [0,2,0,0,0,0|2,0,0]=4 7404 B18R0.127 CCCCCCC(C)CCOCCCCCB(O)O 34a_200011024964_200009817188 [0,2,0,0,0,0|1,0,1]=4 7405 B18R0.127 CCCCCCC(C)CCOCCCCCB(O)O 7a_200011024964_200009817188 [0,2,0,0,0,0|1,0,1]=4 7406 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 34a_200011024964_100009817443 [0,2,0,0,0,0|1,0,0]=3 7407 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 7a_200011024964_100009817443 [0,2,0,0,0,0|1,0,0]=3 7408 B18R0.127 CCCCCCC(C)CCOCCCCOC(=O)C 34a_200011024964_100000033659 [0,2,0,0,0,0|2,0,0]=4 7409 B18R0.127 CCCCCCC(C)CCOCCCCOC(=O)C 7a_200011024964_100000033659 [0,2,0,0,0,0|2,0,0]=4 7410 B18R0.127 CCCCCCC(C)CCOCCCCSC(=O)C 34a_200011024964_200010402107 [0,2,0,0,0,0|2,0,0]=4 7411 B18R0.127 CCCCCCC(C)CCOCCCCSC(=O)C 7a_200011024964_200010402107 [0,2,0,0,0,0|2,0,0]=4 7412 B18R0.127 CCCCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100011215978 [0,2,0,0,0,0|2,0,0]=4 7413 B18R0.127 CCCCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000210826 [0,2,0,0,0,0|2,0,0]=4 7414 B18R0.127 CCCCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215978 [0,2,0,0,0,0|2,0,0]=4 7415 B18R0.127 CCCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000210826 [0,2,0,0,0,0|2,0,0]=4 7416 B18R0.127 CCCCCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_100011215978 [0,2,0,0,0,0|2,0,0]=4 7417 B18R0.171 C#CC(=O)CCCCCCCCCCCCCC=C 1458a_100000211873_102495333938 [0,2,0,0,0,0|1,0,1]=4 7418 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [0,2,0,0,0,0|1,0,0]=3 7419 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCO 1458a_100000211873_100009828009 [0,2,0,0,0,0|1,0,0]=3 7420 B18R0.171 C#CC(O)CCCCCNCCCCCCCCC 2230a_100000212291_200010408556 [0,2,0,0,0,0|1,0,1]=4 7421 B18R0.171 C#CC(O)CCCCCNCCCCCCCCC 34a_100000212291_200010408556 [0,2,0,0,0,0|1,0,1]=4 7422 B18R0.171 C#CC(O)CCCCCOCCCCCCCCC 34a_100000210712_200010408556 [0,2,0,0,0,0|1,0,1]=4 7423 B18R0.171 C#CC(O)CCCCCOCCCCCCCCC 7a_100000210712_200010408556 [0,2,0,0,0,0|1,0,1]=4 7424 B18R0.171 C#CC(O)CCCCCSCCCCCCCCC 62a_200010408556_100000210670 [0,2,0,0,0,0|1,0,1]=4 7425 B18R0.171 C#CCCCCCCCCCCOCCC(=O)OC 34a_100000054667_100000742370 [0,2,0,0,0,0|0,0,2]=4 7426 B18R0.171 C#CCCCCCCCCCCOCCC(=O)OC 7a_100000054667_100000204255 [0,2,0,0,0,0|0,0,2]=4 7427 B18R0.171 C#CCCCCCCCCCOCCCC(=O)OC 34a_100000034437_100000742333 [0,2,0,0,0,0|0,0,2]=4 7428 B18R0.171 C#CCCCCCCCCCOCCCC(=O)OC 7a_100000034437_100011218270 [0,2,0,0,0,0|0,0,2]=4 7429 B18R0.171 C#CCCCCCCCCOCCCCC(=O)OC 34a_100000065265_100000204269 [0,2,0,0,0,0|0,0,2]=4 7430 B18R0.171 C#CCCCCCCCCOCCCCC(=O)OC 7a_100000065265_100000204269 [0,2,0,0,0,0|0,0,2]=4 7431 B18R0.171 C#CCCCCCCCOCCCCCC(=O)OC 34a_100000054614_100009816466 [0,2,0,0,0,0|0,0,2]=4 7432 B18R0.171 C#CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100153394163 [0,2,0,0,0,0|0,0,2]=4 7433 B18R0.171 C#CCCCCCCCOCCCCCC(=O)OC 7a_100000054614_100009816466 [0,2,0,0,0,0|0,0,2]=4 7434 B18R0.171 C#CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100153394163 [0,2,0,0,0,0|0,0,2]=4 7435 B18R0.171 C#CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100153394163 [0,2,0,0,0,0|0,0,2]=4 7436 B18R0.171 C#CCCCCCCCSCCCCCC(=O)OC 62a_100153394163_100009816466 [0,2,0,0,0,0|0,0,2]=4 7437 B18R0.171 C#CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100012276617 [0,2,0,0,0,0|0,0,2]=4 7438 B18R0.171 C#CCCCCCCOCCCCCCC(=O)OC 34a_100011217361_100009815986 [0,2,0,0,0,0|0,0,2]=4 7439 B18R0.171 C#CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100012276617 [0,2,0,0,0,0|0,0,2]=4 7440 B18R0.171 C#CCCCCCCOCCCCCCC(=O)OC 7a_100011217361_100009815986 [0,2,0,0,0,0|0,0,2]=4 7441 B18R0.171 C#CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100012276617 [0,2,0,0,0,0|0,0,2]=4 7442 B18R0.171 C#CCCCCCCSCCCCCCC(=O)OC 62a_100012276617_100009815986 [0,2,0,0,0,0|0,0,2]=4 7443 B18R0.171 C#CCCCCCOCCCCCCCC(=O)OC 34a_100000766912_100010004213 [0,2,0,0,0,0|0,0,2]=4 7444 B18R0.171 C#CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100012094781 [0,2,0,0,0,0|0,0,2]=4 7445 B18R0.171 C#CCCCCCOCCCCCCCC(=O)OC 7a_100000766912_100010004213 [0,2,0,0,0,0|0,0,2]=4 7446 B18R0.171 C#CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100012094781 [0,2,0,0,0,0|0,0,2]=4 7447 B18R0.171 C#CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100012094781 [0,2,0,0,0,0|0,0,2]=4 7448 B18R0.171 C#CCCCCCSCCCCCCCC(=O)OC 62a_100012094781_100010004213 [0,2,0,0,0,0|0,0,2]=4 7449 B18R0.171 C#CCCCCNCCCCCCCCC(=O)OC 2230a_100000706060_100010282707 [0,2,0,0,0,0|0,0,2]=4 7450 B18R0.171 C#CCCCCNCCCCCCCCC(=O)OC 34a_100000706060_100010282707 [0,2,0,0,0,0|0,0,2]=4 7451 B18R0.171 C#CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100010269958 [0,2,0,0,0,0|0,0,2]=4 7452 B18R0.171 C#CCCCCOCCCCCCCCC(=O)OC 34a_100000766709_100010282707 [0,2,0,0,0,0|0,0,2]=4 7453 B18R0.171 C#CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100010269958 [0,2,0,0,0,0|0,0,2]=4 7454 B18R0.171 C#CCCCCOCCCCCCCCC(=O)OC 7a_100000766709_100010282707 [0,2,0,0,0,0|0,0,2]=4 7455 B18R0.171 C#CCCCCSCCCCCCCCC(=O)OC 62a_100010269958_100010282707 [0,2,0,0,0,0|0,0,2]=4 7456 B18R0.171 C#CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100010269958 [0,2,0,0,0,0|0,0,2]=4 7457 B18R0.171 C#CCCCNCCCCCCCCCC(=O)OC 34a_100000718082_100009813843 [0,2,0,0,0,0|0,0,2]=4 7458 B18R0.171 C#CCCCOCCCCCCCCCC(=O)OC 34a_100000215630_100009813843 [0,2,0,0,0,0|0,0,2]=4 7459 B18R0.171 C#CCCCOCCCCCCCCCC(=O)OC 7a_100000215630_100009813843 [0,2,0,0,0,0|0,0,2]=4 7460 B18R0.171 C#CCCCSCCCCCCCCCC(=O)OC 62a_100011215417_100009813843 [0,2,0,0,0,0|0,0,2]=4 7461 B18R0.171 C#CCCNCCCCCCCCCCC(=O)OC 34a_100000755551_100009812566 [0,2,0,0,0,0|0,0,2]=4 7462 B18R0.171 C#CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000688953 [0,2,0,0,0,0|0,0,2]=4 7463 B18R0.171 C#CCCOCCCCCCCCCCC(=O)OC 34a_100011215631_100009812566 [0,2,0,0,0,0|0,0,2]=4 7464 B18R0.171 C#CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000688953 [0,2,0,0,0,0|0,0,2]=4 7465 B18R0.171 C#CCCSCCCCCCCCCCC(=O)OC 62a_100000688953_100009812566 [0,2,0,0,0,0|0,0,2]=4 7466 B18R0.171 C#CCNCCCCCCCCCCCC(=O)OC 34a_100000212058_100010983606 [0,2,0,0,0,0|0,0,2]=4 7467 B18R0.171 C#CCOCCCCCCCCCCCC(=O)OC 34a_100000210247_100010983606 [0,2,0,0,0,0|0,0,2]=4 7468 B18R0.171 C#CCSCCCCCCCCCCCC(=O)OC 62a_100000038162_100010983606 [0,2,0,0,0,0|0,0,2]=4 7469 B18R0.171 C/C=C/CCOCCCCCCCCCC(=O)OC 34a_100016278192_100009813843 [0,2,0,0,0,0|0,0,2]=4 7470 B18R0.171 C/C=C/COCCCCCCCCCCC(=O)OC 34a_100011003013_100102629194 [0,2,0,0,0,0|0,0,2]=4 7471 B18R0.171 C/C=C/COCCCCCCCCCCC(=O)OC 34a_100016270725_100009812566 [0,2,0,0,0,0|0,0,2]=4 7472 B18R0.171 C/C=C/COCCCCCCCCCCC(=O)OC 7a_100011003013_100102629194 [0,2,0,0,0,0|0,0,2]=4 7473 B18R0.171 C/C=C/CSCCCCCCCCCCC(=O)OC 62a_100102629194_100009812566 [0,2,0,0,0,0|0,0,2]=4 7474 B18R0.171 C=C(C#N)CNCCCCCCCCCCCCC 2230a_100011215765_100000694840 [0,2,0,0,0,0|2,0,0]=4 7475 B18R0.171 C=C(C#N)CNCCCCCCCCCCCCC 34a_100011215765_100000694840 [0,2,0,0,0,0|2,0,0]=4 7476 B18R0.171 C=C(C#N)COCCCCCCCCCCCCC 34a_100000185773_100000694840 [0,2,0,0,0,0|2,0,0]=4 7477 B18R0.171 C=CC(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000185746 [0,2,0,0,0,0|1,0,0]=3 7478 B18R0.171 C=CC(=O)NCCCCCCCCCCCCCC 240690a_100011217771_200121576911 [0,2,0,0,0,0|1,0,0]=3 7479 B18R0.171 C=CC(=O)NCCCCOCCCCCCCCC 34a_100014118770_100011214924 [0,2,0,0,0,0|2,0,0]=4 7480 B18R0.171 C=CC(=O)NCCNCCCCCCCCCCC 2230a_114873766552_100011215454 [0,2,0,0,0,0|2,0,0]=4 7481 B18R0.171 C=CC(=O)NCCOCCCCCCCCCCC 34a_100011304386_100011215454 [0,2,0,0,0,0|2,0,0]=4 7482 B18R0.171 C=CC(=O)OCCCCCCNCCCCCCC 2230a_100000229938_100009894100 [0,2,0,0,0,0|2,0,0]=4 7483 B18R0.171 C=CC(=O)OCCCCCCOCCCCCCC 34a_100000210272_100009894100 [0,2,0,0,0,0|2,0,0]=4 7484 B18R0.171 C=CC(=O)OCCCCCCOCCCCCCC 7a_100000210272_100009894100 [0,2,0,0,0,0|2,0,0]=4 7485 B18R0.171 C=CC(=O)OCCCCCCSCCCCCCC 62a_100000210614_100009894100 [0,2,0,0,0,0|2,0,0]=4 7486 B18R0.171 C=CC(=O)OCCCCCCSCCCCCCC 62a_100009894100_100000210316 [0,2,0,0,0,0|2,0,0]=4 7487 B18R0.171 C=CC(=O)OCCCCCOCCCCCCCC 7a_200011023508_100000210759 [0,2,0,0,0,0|2,0,0]=4 7488 B18R0.171 C=CC(=O)OCCNCCCCCCCCCCC 2230a_200011215754_100009813456 [0,2,0,0,0,0|2,0,0]=4 7489 B18R0.171 C=CC(=O)OCCNCCCCCCCCCCC 34a_200011215754_100009813456 [0,2,0,0,0,0|2,0,0]=4 7490 B18R0.171 C=CC(=O)OCCOCCCCCCCCCCC 34a_100000210809_100009813456 [0,2,0,0,0,0|2,0,0]=4 7491 B18R0.171 C=CC(=O)OCCOCCCCCCCCCCC 7a_100000210809_100009813456 [0,2,0,0,0,0|2,0,0]=4 7492 B18R0.171 C=CC(=O)OCCSCCCCCCCCCCC 62a_100009813456_100011215454 [0,2,0,0,0,0|2,0,0]=4 7493 B18R0.171 C=CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_102130925996 [0,2,0,0,0,0|0,0,2]=4 7494 B18R0.171 C=CCCCCCCCCCCCSCC(=O)OC 62a_102130925996_100000747449 [0,2,0,0,0,0|0,0,2]=4 7495 B18R0.171 C=CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011093070 [0,2,0,0,0,0|0,0,2]=4 7496 B18R0.171 C=CCCCCCCCCCCSCCC(=O)OC 62a_100011093070_100000204255 [0,2,0,0,0,0|0,0,2]=4 7497 B18R0.171 C=CCCCCCCCCCNCCCC(=O)OC 2230a_100000081888_100011218270 [0,2,0,0,0,0|0,0,2]=4 7498 B18R0.171 C=CCCCCCCCCCNCCCC(=O)OC 34a_100000081888_100000742333 [0,2,0,0,0,0|0,0,2]=4 7499 B18R0.171 C=CCCCCCCCCCOCCCC(=O)OC 34a_100000038209_100000742333 [0,2,0,0,0,0|0,0,2]=4 7500 B18R0.171 C=CCCCCCCCCCOCCCC(=O)OC 7a_100000038209_100011218270 [0,2,0,0,0,0|0,0,2]=4 7501 B18R0.171 C=CCCCCCCCCCSCCCC(=O)OC 62a_100009814027_100011218270 [0,2,0,0,0,0|0,0,2]=4 7502 B18R0.171 C=CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100009814027 [0,2,0,0,0,0|0,0,2]=4 7503 B18R0.171 C=CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011933949 [0,2,0,0,0,0|0,0,2]=4 7504 B18R0.171 C=CCCCCCCCCOCCCCC(=O)OC 34a_100011215194_100000204269 [0,2,0,0,0,0|0,0,2]=4 7505 B18R0.171 C=CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100011933949 [0,2,0,0,0,0|0,0,2]=4 7506 B18R0.171 C=CCCCCCCCCOCCCCC(=O)OC 7a_100011215194_100000204269 [0,2,0,0,0,0|0,0,2]=4 7507 B18R0.171 C=CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100011933949 [0,2,0,0,0,0|0,0,2]=4 7508 B18R0.171 C=CCCCCCCCCSCCCCC(=O)OC 62a_100011933949_100000204269 [0,2,0,0,0,0|0,0,2]=4 7509 B18R0.171 C=CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100012355270 [0,2,0,0,0,0|0,0,2]=4 7510 B18R0.171 C=CCCCCCCCOCCCCCC(=O)OC 34a_100000730831_100009816466 [0,2,0,0,0,0|0,0,2]=4 7511 B18R0.171 C=CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100012355270 [0,2,0,0,0,0|0,0,2]=4 7512 B18R0.171 C=CCCCCCCCOCCCCCC(=O)OC 7a_100000730831_100009816466 [0,2,0,0,0,0|0,0,2]=4 7513 B18R0.171 C=CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100012355270 [0,2,0,0,0,0|0,0,2]=4 7514 B18R0.171 C=CCCCCCCCSCCCCCC(=O)OC 62a_100012355270_100009816466 [0,2,0,0,0,0|0,0,2]=4 7515 B18R0.171 C=CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100011215473 [0,2,0,0,0,0|0,0,2]=4 7516 B18R0.171 C=CCCCCCCOCCCCCCC(=O)OC 34a_200011216477_100009815986 [0,2,0,0,0,0|0,0,2]=4 7517 B18R0.171 C=CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100011215473 [0,2,0,0,0,0|0,0,2]=4 7518 B18R0.171 C=CCCCCCCOCCCCCCC(=O)OC 7a_200011216477_100009815986 [0,2,0,0,0,0|0,0,2]=4 7519 B18R0.171 C=CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100011215473 [0,2,0,0,0,0|0,0,2]=4 7520 B18R0.171 C=CCCCCCCSCCCCCCC(=O)OC 62a_100011215473_100009815986 [0,2,0,0,0,0|0,0,2]=4 7521 B18R0.171 C=CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000700193 [0,2,0,0,0,0|0,0,2]=4 7522 B18R0.171 C=CCCCCCOCCCCCCCC(=O)OC 34a_100011216702_100010004213 [0,2,0,0,0,0|0,0,2]=4 7523 B18R0.171 C=CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000700193 [0,2,0,0,0,0|0,0,2]=4 7524 B18R0.171 C=CCCCCCOCCCCCCCC(=O)OC 7a_100011216702_100010004213 [0,2,0,0,0,0|0,0,2]=4 7525 B18R0.171 C=CCCCCCSCCCCCCCC(=O)OC 62a_100000700193_100010004213 [0,2,0,0,0,0|0,0,2]=4 7526 B18R0.171 C=CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000700193 [0,2,0,0,0,0|0,0,2]=4 7527 B18R0.171 C=CCCCCNCCCCCCCCC(=O)OC 2230a_100000703577_100010282707 [0,2,0,0,0,0|0,0,2]=4 7528 B18R0.171 C=CCCCCNCCCCCCCCC(=O)OC 34a_100000703577_100010282707 [0,2,0,0,0,0|0,0,2]=4 7529 B18R0.171 C=CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100011215482 [0,2,0,0,0,0|0,0,2]=4 7530 B18R0.171 C=CCCCCOCCCCCCCCC(=O)OC 34a_100000766645_100010282707 [0,2,0,0,0,0|0,0,2]=4 7531 B18R0.171 C=CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215482 [0,2,0,0,0,0|0,0,2]=4 7532 B18R0.171 C=CCCCCOCCCCCCCCC(=O)OC 7a_100000766645_100010282707 [0,2,0,0,0,0|0,0,2]=4 7533 B18R0.171 C=CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215482 [0,2,0,0,0,0|0,0,2]=4 7534 B18R0.171 C=CCCCCSCCCCCCCCC(=O)OC 62a_100011215482_100010282707 [0,2,0,0,0,0|0,0,2]=4 7535 B18R0.171 C=CCCCNCCCCCCCCCC(=O)OC 2230a_100000700776_100009813843 [0,2,0,0,0,0|0,0,2]=4 7536 B18R0.171 C=CCCCNCCCCCCCCCC(=O)OC 34a_100000700776_100009813843 [0,2,0,0,0,0|0,0,2]=4 7537 B18R0.171 C=CCCCOCCCCCCCCCC(=O)OC 34a_100000758997_100009813843 [0,2,0,0,0,0|0,0,2]=4 7538 B18R0.171 C=CCCCOCCCCCCCCCC(=O)OC 7a_100000758997_100009813843 [0,2,0,0,0,0|0,0,2]=4 7539 B18R0.171 C=CCCCSCCCCCCCCCC(=O)OC 62a_100011713584_100009813843 [0,2,0,0,0,0|0,0,2]=4 7540 B18R0.171 C=CCCNCCCCCCCCCCC(=O)OC 2230a_100015191253_100009812566 [0,2,0,0,0,0|0,0,2]=4 7541 B18R0.171 C=CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000754431 [0,2,0,0,0,0|0,0,2]=4 7542 B18R0.171 C=CCCOCCCCCCCCCCC(=O)OC 34a_100011205117_100009812566 [0,2,0,0,0,0|0,0,2]=4 7543 B18R0.171 C=CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000754431 [0,2,0,0,0,0|0,0,2]=4 7544 B18R0.171 C=CCCSCCCCCCCCCCC(=O)OC 62a_100000754431_100009812566 [0,2,0,0,0,0|0,0,2]=4 7545 B18R0.171 C=CCNCCCCCCCCCCCC(=O)OC 2230a_100020586998_100010983606 [0,2,0,0,0,0|0,0,2]=4 7546 B18R0.171 C=CCOCCCCCCCCCCCC(=O)OC 34a_200000210373_100010983606 [0,2,0,0,0,0|0,0,2]=4 7547 B18R0.171 C=CCSCCCCCCCCCCCC(=O)OC 62a_100000210623_100010983606 [0,2,0,0,0,0|0,0,2]=4 7548 B18R0.171 CC#CCCOCCCCCCCCCC(=O)OC 34a_100000750427_100009813843 [0,2,0,0,0,0|0,0,2]=4 7549 B18R0.171 CC#CCNCCCCCCCCCCC(=O)OC 2230a_100000685387_100009812566 [0,2,0,0,0,0|0,0,2]=4 7550 B18R0.171 CC#CCNCCCCCCCCCCC(=O)OC 34a_100000685387_100009812566 [0,2,0,0,0,0|0,0,2]=4 7551 B18R0.171 CC#CCOCCCCCCCCCCC(=O)OC 34a_100000761923_100009812566 [0,2,0,0,0,0|0,0,2]=4 7552 B18R0.171 CC#CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000748600 [0,2,0,0,0,0|0,0,2]=4 7553 B18R0.171 CC#CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000748600 [0,2,0,0,0,0|0,0,2]=4 7554 B18R0.171 CC#CCSCCCCCCCCCCC(=O)OC 62a_100000748600_100009812566 [0,2,0,0,0,0|0,0,2]=4 7555 B18R0.171 CC/C=C/CCCOCCCCCCCC(=O)OC 34a_100016287902_100010004213 [0,2,0,0,0,0|0,0,2]=4 7556 B18R0.171 CC/C=C/CCCOCCCCCCCC(=O)OC 7a_100016287902_100010004213 [0,2,0,0,0,0|0,0,2]=4 7557 B18R0.171 CC/C=C\CCCCCOCCCCCC(=O)OC 34a_100016268722_100009816466 [0,2,0,0,0,0|0,0,2]=4 7558 B18R0.171 CC/C=C\CCCCCOCCCCCC(=O)OC 7a_100016268722_100009816466 [0,2,0,0,0,0|0,0,2]=4 7559 B18R0.171 CC/C=C\CCCCOCCCCCCC(=O)OC 34a_100016287862_100009815986 [0,2,0,0,0,0|0,0,2]=4 7560 B18R0.171 CC/C=C\CCCCOCCCCCCC(=O)OC 7a_100016287862_100009815986 [0,2,0,0,0,0|0,0,2]=4 7561 B18R0.171 CC/C=C\CCOCCCCCCCCC(=O)OC 34a_100000035544_100015370543 [0,2,0,0,0,0|0,0,2]=4 7562 B18R0.171 CC/C=C\CCOCCCCCCCCC(=O)OC 34a_100016288707_100010282707 [0,2,0,0,0,0|0,0,2]=4 7563 B18R0.171 CC/C=C\CCOCCCCCCCCC(=O)OC 7a_100000035544_100015370543 [0,2,0,0,0,0|0,0,2]=4 7564 B18R0.171 CC/C=C\CCOCCCCCCCCC(=O)OC 7a_100016288707_100010282707 [0,2,0,0,0,0|0,0,2]=4 7565 B18R0.171 CC/C=C\CCSCCCCCCCCC(=O)OC 62a_100010282707_100015370543 [0,2,0,0,0,0|0,0,2]=4 7566 B18R0.171 CC/C=C\CCSCCCCCCCCC(=O)OC 62a_100015370543_100010282707 [0,2,0,0,0,0|0,0,2]=4 7567 B18R0.171 CC/C=C\COCCCCCCCCCC(=O)OC 34a_100016268518_100009813843 [0,2,0,0,0,0|0,0,2]=4 7568 B18R0.171 CC/C=C\CSCCCCCCCCCC(=O)OC 62a_100103147603_100009813843 [0,2,0,0,0,0|0,0,2]=4 7569 B18R0.171 CC=CCCCOCCCCCCCCC(=O)OC 34a_100020645299_100010282707 [0,2,0,0,0,0|0,0,2]=4 7570 B18R0.171 CC=CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000070051 [0,2,0,0,0,0|0,0,2]=4 7571 B18R0.171 CC=CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000070051 [0,2,0,0,0,0|0,0,2]=4 7572 B18R0.171 CC=CCSCCCCCCCCCCC(=O)OC 62a_100000070051_100009812566 [0,2,0,0,0,0|0,0,2]=4 7573 B18R0.171 CCC#CCCCCCCCCOCCC(=O)OC 34a_200000031908_100000742370 [0,2,0,0,0,0|0,0,2]=4 7574 B18R0.171 CCC#CCCCCCCCCOCCC(=O)OC 7a_200000031908_100000204255 [0,2,0,0,0,0|0,0,2]=4 7575 B18R0.171 CCC#CCCCCCCOCCCCC(=O)OC 34a_100000059025_200000036426 [0,2,0,0,0,0|0,0,2]=4 7576 B18R0.171 CCC#CCCCCCCOCCCCC(=O)OC 7a_100000059025_200000036426 [0,2,0,0,0,0|0,0,2]=4 7577 B18R0.171 CCC#CCCCCCCSCCCCC(=O)OC 62a_100000204269_200000036426 [0,2,0,0,0,0|0,0,2]=4 7578 B18R0.171 CCC#CCCCCCCSCCCCC(=O)OC 62a_200000036426_100000204269 [0,2,0,0,0,0|0,0,2]=4 7579 B18R0.171 CCC#CCCOCCCCCCCCC(=O)OC 34a_100000036655_100010282707 [0,2,0,0,0,0|0,0,2]=4 7580 B18R0.171 CCC#CCCOCCCCCCCCC(=O)OC 7a_100000036655_100010282707 [0,2,0,0,0,0|0,0,2]=4 7581 B18R0.171 CCC#CCOCCCCCCCCCC(=O)OC 34a_100000032950_100009813843 [0,2,0,0,0,0|0,0,2]=4 7582 B18R0.171 CCC#CCSCCCCCCCCCC(=O)OC 62a_100009813939_100009813843 [0,2,0,0,0,0|0,0,2]=4 7583 B18R0.171 CCC/C=C/COCCCCCCCCC(=O)OC 34a_100016278788_100010282707 [0,2,0,0,0,0|0,0,2]=4 7584 B18R0.171 CCC/C=C/COCCCCCCCCC(=O)OC 7a_100016278788_100010282707 [0,2,0,0,0,0|0,0,2]=4 7585 B18R0.171 CCCC#CCCOCCCCCCCC(=O)OC 34a_100000042726_100010004213 [0,2,0,0,0,0|0,0,2]=4 7586 B18R0.171 CCCC#CCCOCCCCCCCC(=O)OC 7a_100000042726_100010004213 [0,2,0,0,0,0|0,0,2]=4 7587 B18R0.171 CCCC#CCOCCCCCCCCC(=O)OC 34a_100000034806_100010282707 [0,2,0,0,0,0|0,0,2]=4 7588 B18R0.171 CCCC#CCOCCCCCCCCC(=O)OC 7a_100000034806_100010282707 [0,2,0,0,0,0|0,0,2]=4 7589 B18R0.171 CCCC/C=C/CCCCOCCCCC(=O)OC 34a_200020645093_100000204269 [0,2,0,0,0,0|0,0,2]=4 7590 B18R0.171 CCCC/C=C/CCCCOCCCCC(=O)OC 7a_200020645093_100000204269 [0,2,0,0,0,0|0,0,2]=4 7591 B18R0.171 CCCC/C=C/COCCCCCCCC(=O)OC 34a_200016272032_100010004213 [0,2,0,0,0,0|0,0,2]=4 7592 B18R0.171 CCCC/C=C/COCCCCCCCC(=O)OC 7a_200016272032_100010004213 [0,2,0,0,0,0|0,0,2]=4 7593 B18R0.171 CCCC/C=C\CCOCCCCCCC(=O)OC 34a_200016286491_100009815986 [0,2,0,0,0,0|0,0,2]=4 7594 B18R0.171 CCCC/C=C\CCOCCCCCCC(=O)OC 7a_200016286491_100009815986 [0,2,0,0,0,0|0,0,2]=4 7595 B18R0.171 CCCCC#CCCCCCCSCCC(=O)OC 62a_100000204255_200000043322 [0,2,0,0,0,0|0,0,2]=4 7596 B18R0.171 CCCCC#CCCCCCCSCCC(=O)OC 62a_200000043322_100000204255 [0,2,0,0,0,0|0,0,2]=4 7597 B18R0.171 CCCCC#CCCCCOCCCCC(=O)OC 34a_200000066234_100000204269 [0,2,0,0,0,0|0,0,2]=4 7598 B18R0.171 CCCCC#CCCCCOCCCCC(=O)OC 7a_200000066234_100000204269 [0,2,0,0,0,0|0,0,2]=4 7599 B18R0.171 CCCCC#CCCCOCCCCCC(=O)OC 34a_100000074720_200000047210 [0,2,0,0,0,0|0,0,2]=4 7600 B18R0.171 CCCCC#CCCCOCCCCCC(=O)OC 7a_100000074720_200000047210 [0,2,0,0,0,0|0,0,2]=4 7601 B18R0.171 CCCCC#CCCCSCCCCCC(=O)OC 62a_100009816466_200000047210 [0,2,0,0,0,0|0,0,2]=4 7602 B18R0.171 CCCCC#CCCCSCCCCCC(=O)OC 62a_200000047210_100009816466 [0,2,0,0,0,0|0,0,2]=4 7603 B18R0.171 CCCCC#CCCOCCCCCCC(=O)OC 34a_100000037610_100009815986 [0,2,0,0,0,0|0,0,2]=4 7604 B18R0.171 CCCCC#CCCOCCCCCCC(=O)OC 7a_100000037610_100009815986 [0,2,0,0,0,0|0,0,2]=4 7605 B18R0.171 CCCCC#CCOCCCCCCCC(=O)OC 34a_200000034558_100010004213 [0,2,0,0,0,0|0,0,2]=4 7606 B18R0.171 CCCCC#CCOCCCCCCCC(=O)OC 7a_200000034558_100010004213 [0,2,0,0,0,0|0,0,2]=4 7607 B18R0.171 CCCCC/C=C/COCCCCCCC(=O)OC 34a_100016258190_100009815986 [0,2,0,0,0,0|0,0,2]=4 7608 B18R0.171 CCCCC/C=C/COCCCCCCC(=O)OC 7a_100016258190_100009815986 [0,2,0,0,0,0|0,0,2]=4 7609 B18R0.171 CCCCC/C=C\CCCOCCCCC(=O)OC 34a_100020655193_100000204269 [0,2,0,0,0,0|0,0,2]=4 7610 B18R0.171 CCCCC/C=C\CCCOCCCCC(=O)OC 7a_100020655193_100000204269 [0,2,0,0,0,0|0,0,2]=4 7611 B18R0.171 CCCCC/C=C\CCOCCCCCC(=O)OC 34a_100016277358_100009816466 [0,2,0,0,0,0|0,0,2]=4 7612 B18R0.171 CCCCC/C=C\CCOCCCCCC(=O)OC 7a_100016277358_100009816466 [0,2,0,0,0,0|0,0,2]=4 7613 B18R0.171 CCCCCC#CCCOCCCCCC(=O)OC 34a_200000042877_100009816466 [0,2,0,0,0,0|0,0,2]=4 7614 B18R0.171 CCCCCC#CCCOCCCCCC(=O)OC 7a_200000042877_100009816466 [0,2,0,0,0,0|0,0,2]=4 7615 B18R0.171 CCCCCC#CCOCCCCCCC(=O)OC 34a_100009863599_100009816472 [0,2,0,0,0,0|0,0,2]=4 7616 B18R0.171 CCCCCC#CCOCCCCCCC(=O)OC 34a_200000033628_100009815986 [0,2,0,0,0,0|0,0,2]=4 7617 B18R0.171 CCCCCC#CCOCCCCCCC(=O)OC 7a_100009863599_100009816472 [0,2,0,0,0,0|0,0,2]=4 7618 B18R0.171 CCCCCC#CCOCCCCCCC(=O)OC 7a_200000033628_100009815986 [0,2,0,0,0,0|0,0,2]=4 7619 B18R0.171 CCCCCC#CCSCCCCCCC(=O)OC 62a_100009815986_100009816472 [0,2,0,0,0,0|0,0,2]=4 7620 B18R0.171 CCCCCC#CCSCCCCCCC(=O)OC 62a_100009816472_100009815986 [0,2,0,0,0,0|0,0,2]=4 7621 B18R0.171 CCCCCC/C=C/COCCCCCC(=O)OC 34a_200016276170_100009816466 [0,2,0,0,0,0|0,0,2]=4 7622 B18R0.171 CCCCCC/C=C/COCCCCCC(=O)OC 7a_200016276170_100009816466 [0,2,0,0,0,0|0,0,2]=4 7623 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)CF 1458a_100020587579_100015361967 [0,2,0,0,0,0|1,0,1]=4 7624 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 11a_106832991635_100020587579 [0,2,0,0,0,0|1,0,1]=4 7625 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 1626a_100102657272_100020587579 [0,2,0,0,0,0|1,0,1]=4 7626 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 240690a_100102657272_100020587579 [0,2,0,0,0,0|1,0,1]=4 7627 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 527a_100102657272_100020587579 [0,2,0,0,0,0|1,0,1]=4 7628 B18R0.171 CCCCCCC#CCCOCCCCC(=O)OC 34a_200000033163_100000204269 [0,2,0,0,0,0|0,0,2]=4 7629 B18R0.171 CCCCCCC#CCCOCCCCC(=O)OC 7a_200000033163_100000204269 [0,2,0,0,0,0|0,0,2]=4 7630 B18R0.171 CCCCCCC#CCOCCCCCC(=O)OC 34a_200000037284_100009816466 [0,2,0,0,0,0|0,0,2]=4 7631 B18R0.171 CCCCCCC#CCOCCCCCC(=O)OC 7a_200000037284_100009816466 [0,2,0,0,0,0|0,0,2]=4 7632 B18R0.171 CCCCCCCC#CCOCCCCC(=O)OC 34a_200000061759_100000204269 [0,2,0,0,0,0|0,0,2]=4 7633 B18R0.171 CCCCCCCC#CCOCCCCC(=O)OC 7a_200000061759_100000204269 [0,2,0,0,0,0|0,0,2]=4 7634 B18R0.171 CCCCCCCC/C=C/COCCCC(=O)OC 34a_200020667288_100000742333 [0,2,0,0,0,0|0,0,2]=4 7635 B18R0.171 CCCCCCCC/C=C/COCCCC(=O)OC 7a_200020667288_100011218270 [0,2,0,0,0,0|0,0,2]=4 7636 B18R0.171 CCCCCCCCC/C=C/COCCC(=O)OC 34a_100015232335_100000742370 [0,2,0,0,0,0|0,0,2]=4 7637 B18R0.171 CCCCCCCCC/C=C/COCCC(=O)OC 7a_100015232335_100000204255 [0,2,0,0,0,0|0,0,2]=4 7638 B18R0.171 CCCCCCCCCC/C=C/COCC(=O)OC 34a_200025761149_100000747449 [0,2,0,0,0,0|0,0,2]=4 7639 B18R0.171 CCCCCCCCCC/C=C/COCC(=O)OC 7a_200025761149_100000747449 [0,2,0,0,0,0|0,0,2]=4 7640 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [0,2,0,0,0,0|1,0,0]=3 7641 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [0,2,0,0,0,0|1,0,0]=3 7642 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [0,2,0,0,0,0|1,0,0]=3 7643 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 11a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 7644 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 1626a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 7645 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 240690a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 7646 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 527a_100011217771_100000210414 [0,2,0,0,0,0|1,0,0]=3 7647 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 240690a_100011217771_100000210174 [0,2,0,0,0,0|0,0,0]=2 7648 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 527a_100011217771_100000210174 [0,2,0,0,0,0|0,0,0]=2 7649 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 2708a_100011217771_106832991635 [0,2,0,0,0,0|1,0,0]=3 7650 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011217771 [0,2,0,0,0,0|1,0,0]=3 7651 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 273464a_100011217771_100102657272 [0,2,0,0,0,0|1,0,0]=3 7652 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011217771 [0,2,0,0,0,0|1,0,0]=3 7653 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 512a_100011217771_100102657272 [0,2,0,0,0,0|1,0,0]=3 7654 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011217771 [0,2,0,0,0,0|1,0,0]=3 7655 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210684 [0,2,0,0,0,0|1,0,0]=3 7656 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 2230a_100011215765_100000183359 [0,2,0,0,0,0|1,0,0]=3 7657 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_200011215488 [0,2,0,0,0,0|1,0,0]=3 7658 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 34a_100011215765_100000183359 [0,2,0,0,0,0|1,0,0]=3 7659 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 2230a_100011215765_100000747449 [0,2,0,0,0,0|0,0,0]=2 7660 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 34a_100011215765_100000747449 [0,2,0,0,0,0|0,0,0]=2 7661 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 34a_100000185773_100000183359 [0,2,0,0,0,0|1,0,0]=3 7662 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210684 [0,2,0,0,0,0|1,0,0]=3 7663 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 7a_100000185773_100000183359 [0,2,0,0,0,0|1,0,0]=3 7664 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 34a_100000185773_100000747449 [0,2,0,0,0,0|0,0,0]=2 7665 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 7a_100000185773_100000747449 [0,2,0,0,0,0|0,0,0]=2 7666 B18R0.171 CCCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011934334 [0,2,0,0,0,0|1,0,0]=3 7667 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [0,2,0,0,0,0|0,0,0]=2 7668 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 2230a_100000210451_100000737683 [0,2,0,0,0,0|1,0,0]=3 7669 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215052 [0,2,0,0,0,0|1,0,0]=3 7670 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 270004a_100000738227_100011218549 [0,2,0,0,0,0|1,0,0]=3 7671 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 34a_100000210451_100012179268 [0,2,0,0,0,0|1,0,0]=3 7672 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000759014 [0,2,0,0,0,0|1,0,0]=3 7673 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 2230a_100000210451_100000204255 [0,2,0,0,0,0|0,0,0]=2 7674 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 34a_100000210451_100000742370 [0,2,0,0,0,0|0,0,0]=2 7675 B18R0.171 CCCCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000759014 [0,2,0,0,0,0|1,0,0]=3 7676 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 34a_100000210810_100012179268 [0,2,0,0,0,0|1,0,0]=3 7677 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000759014 [0,2,0,0,0,0|1,0,0]=3 7678 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 7a_100000210810_100000737683 [0,2,0,0,0,0|1,0,0]=3 7679 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 34a_100000210810_100000742370 [0,2,0,0,0,0|0,0,0]=2 7680 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 7a_100000210810_100000204255 [0,2,0,0,0,0|0,0,0]=2 7681 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 11a_106832991635_100008107568 [0,2,0,0,0,0|1,0,0]=3 7682 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 1626a_100102657272_100008107568 [0,2,0,0,0,0|1,0,0]=3 7683 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 240690a_100102657272_100008107568 [0,2,0,0,0,0|1,0,0]=3 7684 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000759014 [0,2,0,0,0,0|1,0,0]=3 7685 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [0,2,0,0,0,0|0,0,0]=2 7686 B18R0.171 CCCCCCCCCCCNC/C=C/C(=O)OC 2230a_200011215754_100000742655 [0,2,0,0,0,0|0,0,2]=4 7687 B18R0.171 CCCCCCCCCCCNC/C=C/C(=O)OC 34a_200011215754_100000742655 [0,2,0,0,0,0|0,0,2]=4 7688 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011215454 [0,2,0,0,0,0|1,0,0]=3 7689 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_200011215754_100000741757 [0,2,0,0,0,0|1,0,0]=3 7690 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011215454 [0,2,0,0,0,0|1,0,0]=3 7691 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_200011215754_100000741757 [0,2,0,0,0,0|1,0,0]=3 7692 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 2230a_200011215754_100011218270 [0,2,0,0,0,0|0,0,0]=2 7693 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 34a_200011215754_100000742333 [0,2,0,0,0,0|0,0,0]=2 7694 B18R0.171 CCCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100011215454 [0,2,0,0,0,0|2,0,0]=4 7695 B18R0.171 CCCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100011215454 [0,2,0,0,0,0|2,0,0]=4 7696 B18R0.171 CCCCCCCCCCCNCCOC(=O)NC 34a_200011215754_200011997002 [0,2,0,0,0,0|2,0,0]=4 7697 B18R0.171 CCCCCCCCCCCOC/C=C/C(=O)OC 34a_100000210809_100000742655 [0,2,0,0,0,0|0,0,2]=4 7698 B18R0.171 CCCCCCCCCCCOC/C=C/C(=O)OC 7a_100000210809_100000742655 [0,2,0,0,0,0|0,0,2]=4 7699 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 34a_100000210809_100000741757 [0,2,0,0,0,0|1,0,0]=3 7700 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 7a_100000210809_100000741757 [0,2,0,0,0,0|1,0,0]=3 7701 B18R0.171 CCCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011215454 [0,2,0,0,0,0|1,0,0]=3 7702 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 34a_100000210809_100000742333 [0,2,0,0,0,0|0,0,0]=2 7703 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 7a_100000210809_100011218270 [0,2,0,0,0,0|0,0,0]=2 7704 B18R0.171 CCCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100011215454 [0,2,0,0,0,0|2,0,0]=4 7705 B18R0.171 CCCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100011215454 [0,2,0,0,0,0|2,0,0]=4 7706 B18R0.171 CCCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011215454 [0,2,0,0,0,0|1,0,0]=3 7707 B18R0.171 CCCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100011215454 [0,2,0,0,0,0|2,0,0]=4 7708 B18R0.171 CCCCCCCCCCCOCCOC(=O)NC 34a_100000210809_200011997002 [0,2,0,0,0,0|2,0,0]=4 7709 B18R0.171 CCCCCCCCCCCOCCOC(=O)NC 7a_100000210809_200011997002 [0,2,0,0,0,0|2,0,0]=4 7710 B18R0.171 CCCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011215454 [0,2,0,0,0,0|1,0,0]=3 7711 B18R0.171 CCCCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215454 [0,2,0,0,0,0|0,0,2]=4 7712 B18R0.171 CCCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100011215454 [0,2,0,0,0,0|1,0,0]=3 7713 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [0,2,0,0,0,0|0,0,0]=2 7714 B18R0.171 CCCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100011215454 [0,2,0,0,0,0|2,0,0]=4 7715 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 2230a_100000684558_100000204269 [0,2,0,0,0,0|0,0,0]=2 7716 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 34a_100000684558_100000204269 [0,2,0,0,0,0|0,0,0]=2 7717 B18R0.171 CCCCCCCCCCNCCOCC(=O)OC 2230a_100000684558_100000090808 [0,2,0,0,0,0|1,0,0]=3 7718 B18R0.171 CCCCCCCCCCNCCOCC(=O)OC 34a_100000684558_100000090808 [0,2,0,0,0,0|1,0,0]=3 7719 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210320 [0,2,0,0,0,0|0,0,0]=2 7720 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000210711_100000204269 [0,2,0,0,0,0|0,0,0]=2 7721 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210320 [0,2,0,0,0,0|0,0,0]=2 7722 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000210711_100000204269 [0,2,0,0,0,0|0,0,0]=2 7723 B18R0.171 CCCCCCCCCCOCCOCC(=O)OC 34a_100000210711_100000090808 [0,2,0,0,0,0|1,0,0]=3 7724 B18R0.171 CCCCCCCCCCOCCOCC(=O)OC 7a_100000210711_100000090808 [0,2,0,0,0,0|1,0,0]=3 7725 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [0,2,0,0,0,0|0,0,0]=2 7726 B18R0.171 CCCCCCCCCCSCCOCC(=O)NC 34a_100011628728_100000183359 [0,2,0,0,0,0|2,0,0]=4 7727 B18R0.171 CCCCCCCCCCSCCOCC(=O)NC 7a_100011628728_100000183359 [0,2,0,0,0,0|2,0,0]=4 7728 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 34a_100011628728_100000747449 [0,2,0,0,0,0|1,0,0]=3 7729 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210320 [0,2,0,0,0,0|1,0,0]=3 7730 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 7a_100011628728_100000747449 [0,2,0,0,0,0|1,0,0]=3 7731 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 2230a_100000212291_100009816466 [0,2,0,0,0,0|0,0,0]=2 7732 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 34a_100000212291_100009816466 [0,2,0,0,0,0|0,0,0]=2 7733 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011214924 [0,2,0,0,0,0|0,0,0]=2 7734 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000210712_100009816466 [0,2,0,0,0,0|0,0,0]=2 7735 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210328 [0,2,0,0,0,0|0,0,0]=2 7736 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000210712_100009816466 [0,2,0,0,0,0|0,0,0]=2 7737 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [0,2,0,0,0,0|0,0,0]=2 7738 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 2230a_100000229939_100009815986 [0,2,0,0,0,0|0,0,0]=2 7739 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 34a_100000229939_100009815986 [0,2,0,0,0,0|0,0,0]=2 7740 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100000210232_100009815986 [0,2,0,0,0,0|0,0,0]=2 7741 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210759 [0,2,0,0,0,0|0,0,0]=2 7742 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100000210232_100009815986 [0,2,0,0,0,0|0,0,0]=2 7743 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210759 [0,2,0,0,0,0|0,0,0]=2 7744 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [0,2,0,0,0,0|0,0,0]=2 7745 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [0,2,0,0,0,0|0,0,0]=2 7746 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [0,2,0,0,0,0|0,0,0]=2 7747 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [0,2,0,0,0,0|0,0,0]=2 7748 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [0,2,0,0,0,0|0,0,0]=2 7749 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [0,2,0,0,0,0|0,0,0]=2 7750 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [0,2,0,0,0,0|0,0,0]=2 7751 B18R0.171 CCCCCCCOCCOCCOCC(=O)OC 34a_100011023656_100000210614 [0,2,0,0,0,0|2,0,0]=4 7752 B18R0.171 CCCCCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210614 [0,2,0,0,0,0|2,0,0]=4 7753 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [0,2,0,0,0,0|0,0,0]=2 7754 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [0,2,0,0,0,0|0,0,0]=2 7755 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [0,2,0,0,0,0|0,0,0]=2 7756 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [0,2,0,0,0,0|0,0,0]=2 7757 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [0,2,0,0,0,0|0,0,0]=2 7758 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [0,2,0,0,0,0|0,0,0]=2 7759 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [0,2,0,0,0,0|0,0,0]=2 7760 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 34a_100000691444_100009816466 [0,2,0,0,0,0|1,0,0]=3 7761 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 7a_100000691444_100009816466 [0,2,0,0,0,0|1,0,0]=3 7762 B18R0.171 CCCCCCOCCOCCOCCC(=O)OC 34a_100000032842_100000742370 [0,2,0,0,0,0|2,0,0]=4 7763 B18R0.171 CCCCCCOCCOCCOCCC(=O)OC 34a_100010982084_100000210314 [0,2,0,0,0,0|2,0,0]=4 7764 B18R0.171 CCCCCCOCCOCCOCCC(=O)OC 7a_100000032842_100000204255 [0,2,0,0,0,0|2,0,0]=4 7765 B18R0.171 CCCCCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210314 [0,2,0,0,0,0|2,0,0]=4 7766 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [0,2,0,0,0,0|0,0,0]=2 7767 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [0,2,0,0,0,0|0,0,0]=2 7768 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC 2230a_100000209983_100009813843 [0,2,0,0,0,0|0,0,0]=2 7769 B18R0.171 CCCCCNCCOCCCCCCC(=O)OC 34a_100000224656_100009815986 [0,2,0,0,0,0|1,0,0]=3 7770 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 34a_100000210253_100009813843 [0,2,0,0,0,0|0,0,0]=2 7771 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 7a_100000210253_100009813843 [0,2,0,0,0,0|0,0,0]=2 7772 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 34a_100011215259_100009815986 [0,2,0,0,0,0|1,0,0]=3 7773 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 7a_100011215259_100009815986 [0,2,0,0,0,0|1,0,0]=3 7774 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [0,2,0,0,0,0|0,0,0]=2 7775 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 2230a_100000102301_100009812566 [0,2,0,0,0,0|0,0,0]=2 7776 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 7a_106832991798_100009812566 [0,2,0,0,0,0|0,0,0]=2 7777 B18R0.171 CCCCNCCCCOCCCCCC(=O)OC 34a_200011216965_100009816466 [0,2,0,0,0,0|1,0,0]=3 7778 B18R0.171 CCCCNN=CCCCCCCCCC(=O)OC 4a_100025702795_200010166605 [0,2,0,0,0,0|1,0,1]=4 7779 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100000210227_100009812566 [0,2,0,0,0,0|0,0,0]=2 7780 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210210 [0,2,0,0,0,0|0,0,0]=2 7781 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100000210227_100009812566 [0,2,0,0,0,0|0,0,0]=2 7782 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210211 [0,2,0,0,0,0|0,0,0]=2 7783 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 34a_200000760531_100009816466 [0,2,0,0,0,0|1,0,0]=3 7784 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 7a_200000760531_100009816466 [0,2,0,0,0,0|1,0,0]=3 7785 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 2230a_200000211371_100009815986 [0,2,0,0,0,0|1,0,0]=3 7786 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 34a_200000211371_100009815986 [0,2,0,0,0,0|1,0,0]=3 7787 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 34a_200011215613_100009815986 [0,2,0,0,0,0|1,0,0]=3 7788 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 7a_200011215613_100009815986 [0,2,0,0,0,0|1,0,0]=3 7789 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100000210238_100010004213 [0,2,0,0,0,0|1,0,0]=3 7790 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000743108 [0,2,0,0,0,0|1,0,0]=3 7791 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100000210238_100010004213 [0,2,0,0,0,0|1,0,0]=3 7792 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100000743108 [0,2,0,0,0,0|1,0,0]=3 7793 B18R0.171 CCCCOCCOCCOCCCCC(=O)OC 34a_100011215186_100000204269 [0,2,0,0,0,0|2,0,0]=4 7794 B18R0.171 CCCCOCCOCCOCCCCC(=O)OC 7a_100011215186_100000204269 [0,2,0,0,0,0|2,0,0]=4 7795 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100000743108_100010004213 [0,2,0,0,0,0|1,0,0]=3 7796 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100000743108 [0,2,0,0,0,0|1,0,0]=3 7797 B18R0.171 CCCCOCOCCCCCCCCC(=O)OC 34a_100000035544_100011995733 [0,2,0,0,0,0|1,0,0]=3 7798 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100010282707_100011995733 [0,2,0,0,0,0|1,0,0]=3 7799 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100011995733_100010282707 [0,2,0,0,0,0|1,0,0]=3 7800 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [0,2,0,0,0,0|0,0,0]=2 7801 B18R0.171 CCCCSCCNCCCCCCCC(=O)OC 2230a_100025743550_100010004213 [0,2,0,0,0,0|1,0,0]=3 7802 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 34a_200000230436_100010004213 [0,2,0,0,0,0|1,0,0]=3 7803 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 7a_200000230436_100010004213 [0,2,0,0,0,0|1,0,0]=3 7804 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC 34a_100000210258_100010983606 [0,2,0,0,0,0|0,0,0]=2 7805 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 2230a_100011217757_100010004213 [0,2,0,0,0,0|1,0,0]=3 7806 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 34a_100011217757_100010004213 [0,2,0,0,0,0|1,0,0]=3 7807 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 2230a_100161115042_100010282707 [0,2,0,0,0,0|1,0,0]=3 7808 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 34a_100161115042_100010282707 [0,2,0,0,0,0|1,0,0]=3 7809 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100011215938 [0,2,0,0,0,0|1,0,0]=3 7810 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000752267_100010282707 [0,2,0,0,0,0|1,0,0]=3 7811 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215938 [0,2,0,0,0,0|1,0,0]=3 7812 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000752267_100010282707 [0,2,0,0,0,0|1,0,0]=3 7813 B18R0.171 CCCOCCOCCNCCCCCC(=O)OC 2230a_200011904461_100009816466 [0,2,0,0,0,0|2,0,0]=4 7814 B18R0.171 CCCOCCOCCNCCCCCC(=O)OC 34a_200011904461_100009816466 [0,2,0,0,0,0|2,0,0]=4 7815 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215938 [0,2,0,0,0,0|1,0,0]=3 7816 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100011215938_100010282707 [0,2,0,0,0,0|1,0,0]=3 7817 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [0,2,0,0,0,0|0,0,0]=2 7818 B18R0.171 CCCSCCNCCCCCCCCC(=O)OC 2230a_100020603323_100010282707 [0,2,0,0,0,0|1,0,0]=3 7819 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 34a_200000230433_100010282707 [0,2,0,0,0,0|1,0,0]=3 7820 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 7a_200000230433_100010282707 [0,2,0,0,0,0|1,0,0]=3 7821 B18R0.171 CCNCCCCCCCCCCCCC(=O)OC 2230a_100015525214_209314222159 [0,2,0,0,0,0|0,0,0]=2 7822 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC 34a_100121572206_209314222159 [0,2,0,0,0,0|0,0,0]=2 7823 B18R0.171 CCOCCCCCCCCCOCCC(=O)NC 34a_100009875440_100012179268 [0,2,0,0,0,0|2,0,0]=4 7824 B18R0.171 CCOCCCCCCCCCOCCC(=O)NC 7a_100009875440_100000737683 [0,2,0,0,0,0|2,0,0]=4 7825 B18R0.171 CCOCCCCCCCCCOCCC(=O)OC 34a_100009875440_100000742370 [0,2,0,0,0,0|1,0,0]=3 7826 B18R0.171 CCOCCCCCCCCCOCCC(=O)OC 7a_100009875440_100000204255 [0,2,0,0,0,0|1,0,0]=3 7827 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 2230a_100000210961_100010282707 [0,2,0,0,0,0|1,0,0]=3 7828 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 34a_100000210961_100010282707 [0,2,0,0,0,0|1,0,0]=3 7829 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000035544_100012232248 [0,2,0,0,0,0|1,0,0]=3 7830 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000757476_100010282707 [0,2,0,0,0,0|1,0,0]=3 7831 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000035544_100012232248 [0,2,0,0,0,0|1,0,0]=3 7832 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000757476_100010282707 [0,2,0,0,0,0|1,0,0]=3 7833 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100010282707_100012232248 [0,2,0,0,0,0|1,0,0]=3 7834 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100012232248_100010282707 [0,2,0,0,0,0|1,0,0]=3 7835 B18R0.171 CCOCCNCCCCCCCCCC(=O)OC 2230a_102516460346_100009813843 [0,2,0,0,0,0|1,0,0]=3 7836 B18R0.171 CCOCCNCCCCCCCCCC(=O)OC 34a_102516460346_100009813843 [0,2,0,0,0,0|1,0,0]=3 7837 B18R0.171 CCOCCOCCCCCCCCCC(=O)OC 34a_100000210136_100009813843 [0,2,0,0,0,0|1,0,0]=3 7838 B18R0.171 CCOCCOCCCCCCCCCC(=O)OC 7a_100000210136_100009813843 [0,2,0,0,0,0|1,0,0]=3 7839 B18R0.171 CCOCCOCCNCCCCCCC(=O)OC 2230a_100102712874_100009815986 [0,2,0,0,0,0|2,0,0]=4 7840 B18R0.171 CCOCCOCCNCCCCCCC(=O)OC 34a_100102712874_100009815986 [0,2,0,0,0,0|2,0,0]=4 7841 B18R0.171 CCOCCOCCOCCCCCCC(=O)OC 34a_100000210240_100009815986 [0,2,0,0,0,0|2,0,0]=4 7842 B18R0.171 CCOCCOCCOCCCCCCC(=O)OC 34a_100009863599_100011211534 [0,2,0,0,0,0|2,0,0]=4 7843 B18R0.171 CCOCCOCCOCCCCCCC(=O)OC 7a_100000210240_100009815986 [0,2,0,0,0,0|2,0,0]=4 7844 B18R0.171 CCOCCOCCOCCCCCCC(=O)OC 7a_100009863599_100011211534 [0,2,0,0,0,0|2,0,0]=4 7845 B18R0.171 CCOCCOCCSCCCCCCC(=O)OC 62a_100009815986_100011211534 [0,2,0,0,0,0|2,0,0]=4 7846 B18R0.171 CCOCCOCCSCCCCCCC(=O)OC 62a_100011211534_100009815986 [0,2,0,0,0,0|2,0,0]=4 7847 B18R0.171 CCOCCSCCCCCCCCCC(=O)OC 62a_100000210147_100009813843 [0,2,0,0,0,0|1,0,0]=3 7848 B18R0.171 CCOCSCCCCCCCCCCC(=O)OC 62a_100000739092_100009812566 [0,2,0,0,0,0|1,0,0]=3 7849 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [0,2,0,0,0,0|0,0,0]=2 7850 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 34a_100011216438_100010282707 [0,2,0,0,0,0|1,0,0]=3 7851 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 7a_100011216438_100010282707 [0,2,0,0,0,0|1,0,0]=3 7852 B18R0.171 CCSCCNCCCCCCCCCC(=O)OC 2230a_100000106463_100009813843 [0,2,0,0,0,0|1,0,0]=3 7853 B18R0.171 CCSCCOCCCCCCCCCC(=O)OC 34a_100000212035_100009813843 [0,2,0,0,0,0|1,0,0]=3 7854 B18R0.171 CCSCCOCCCCCCCCCC(=O)OC 7a_100000212035_100009813843 [0,2,0,0,0,0|1,0,0]=3 7855 B18R0.171 CCSCCSCCCCCCCCCC(=O)OC 62a_100000757381_100009813843 [0,2,0,0,0,0|1,0,0]=3 7856 B18R0.171 CNC(=O)CCCCCCCCCCCCCCO 240690a_100102657272_100000122395 [0,2,0,0,0,0|1,0,0]=3 7857 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100000741757 [0,2,0,0,0,0|2,0,0]=4 7858 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 2230a_100000740002_100009813290 [0,2,0,0,0,0|2,0,0]=4 7859 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000741757 [0,2,0,0,0,0|2,0,0]=4 7860 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 34a_100000740002_100009813290 [0,2,0,0,0,0|2,0,0]=4 7861 B18R0.171 CNC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000741757 [0,2,0,0,0,0|2,0,0]=4 7862 B18R0.171 CNC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100000741757 [0,2,0,0,0,0|2,0,0]=4 7863 B18R0.171 CNC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000741757 [0,2,0,0,0,0|2,0,0]=4 7864 B18R0.171 CNC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100000741757 [0,2,0,0,0,0|2,0,0]=4 7865 B18R0.171 CNC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000741757 [0,2,0,0,0,0|2,0,0]=4 7866 B18R0.171 CNC(=O)CCCSCCCCCCCCCCO 62a_100000741757_200000033068 [0,2,0,0,0,0|2,0,0]=4 7867 B18R0.171 CNC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100000741757 [0,2,0,0,0,0|2,0,0]=4 7868 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 2230a_100000738227_100009812471 [0,2,0,0,0,0|2,0,0]=4 7869 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 34a_100000738227_100009812471 [0,2,0,0,0,0|2,0,0]=4 7870 B18R0.171 CNC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100012179268 [0,2,0,0,0,0|2,0,0]=4 7871 B18R0.171 CNC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000737683 [0,2,0,0,0,0|2,0,0]=4 7872 B18R0.171 CNC(=O)CCOCCCCCCCCCCCO 34a_100000754576_100009812471 [0,2,0,0,0,0|2,0,0]=4 7873 B18R0.171 CNC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000737683 [0,2,0,0,0,0|2,0,0]=4 7874 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000183359 [0,2,0,0,0,0|2,0,0]=4 7875 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 2230a_100000693194_100009813331 [0,2,0,0,0,0|2,0,0]=4 7876 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000183359 [0,2,0,0,0,0|2,0,0]=4 7877 B18R0.171 CNC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000183359 [0,2,0,0,0,0|2,0,0]=4 7878 B18R0.171 CNC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000183359 [0,2,0,0,0,0|2,0,0]=4 7879 B18R0.171 CNC(=O)COCCCCCCCCCCCCN 34a_100000066677_100000183359 [0,2,0,0,0,0|2,0,0]=4 7880 B18R0.171 CNC(=O)COCCCCCCCCCCCCO 34a_100000750040_100009813331 [0,2,0,0,0,0|2,0,0]=4 7881 B18R0.171 CNC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000183359 [0,2,0,0,0,0|2,0,0]=4 7882 B18R0.171 CNCCCCCOCCCCCCCC(=O)OC 34a_100000722520_100010004213 [0,2,0,0,0,0|1,0,0]=3 7883 B18R0.171 CNCCCOCCCCCCCCCC(=O)OC 34a_100000213112_100009813843 [0,2,0,0,0,0|1,0,0]=3 7884 B18R0.171 CNCCOCCOCCCCCCCC(=O)OC 34a_100000228057_100010004213 [0,2,0,0,0,0|2,0,0]=4 7885 B18R0.171 COC(=O)CCCCCCCCCCCCSCF 62a_100015361967_209314222159 [0,2,0,0,0,0|1,0,0]=3 7886 B18R0.171 COC(=O)CCCCCCCCCCCNCCF 34a_100000724931_100010983606 [0,2,0,0,0,0|1,0,0]=3 7887 B18R0.171 COC(=O)CCCCCCCCCCCNCCO 2230a_100016997473_100010983606 [0,2,0,0,0,0|1,0,0]=3 7888 B18R0.171 COC(=O)CCCCCCCCCCCNCCO 34a_100016990907_100010983606 [0,2,0,0,0,0|1,0,0]=3 7889 B18R0.171 COC(=O)CCCCCCCCCCCOCCBr 34a_100000211926_100010983606 [0,2,0,0,0,0|1,0,0]=3 7890 B18R0.171 COC(=O)CCCCCCCCCCCOCCN 34a_100000210304_100010983606 [0,2,0,0,0,0|1,0,0]=3 7891 B18R0.171 COC(=O)CCCCCCCCCCCSCC#N 62a_100011215382_100010983606 [0,2,0,0,0,0|1,0,1]=4 7892 B18R0.171 COC(=O)CCCCCCCCCCCSCC=O 62a_200015260668_100010983606 [0,2,0,0,0,0|1,0,1]=4 7893 B18R0.171 COC(=O)CCCCCCCCCCCSCCF 62a_100011217306_100010983606 [0,2,0,0,0,0|1,0,0]=3 7894 B18R0.171 COC(=O)CCCCCCCCCCCSCCO 62a_100000211926_100010983606 [0,2,0,0,0,0|1,0,0]=3 7895 B18R0.171 COC(=O)CCCCCCCCCCCSCSC 62a_100011218213_100010983606 [0,2,0,0,0,0|1,0,0]=3 7896 B18R0.171 COC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_100009812566 [0,2,0,0,0,0|1,0,0]=3 7897 B18R0.171 COC(=O)CCCCCCCCCCNCCCF 34a_100015189416_100009812566 [0,2,0,0,0,0|1,0,0]=3 7898 B18R0.171 COC(=O)CCCCCCCCCCNCCSC 2230a_100020590264_100009812566 [0,2,0,0,0,0|1,0,0]=3 7899 B18R0.171 COC(=O)CCCCCCCCCCOCCC#N 7a_100011003013_100000184422 [0,2,0,0,0,0|1,0,1]=4 7900 B18R0.171 COC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_100009812566 [0,2,0,0,0,0|1,0,0]=3 7901 B18R0.171 COC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_100009812566 [0,2,0,0,0,0|1,0,0]=3 7902 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 34a_100000759539_100009812566 [0,2,0,0,0,0|1,0,0]=3 7903 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 34a_100011003013_100011934791 [0,2,0,0,0,0|1,0,0]=3 7904 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 7a_100011003013_100011934791 [0,2,0,0,0,0|1,0,0]=3 7905 B18R0.171 COC(=O)CCCCCCCCCCOCCCN 34a_100000182051_100009812566 [0,2,0,0,0,0|1,0,0]=3 7906 B18R0.171 COC(=O)CCCCCCCCCCOCCCO 34a_100011003013_100000230001 [0,2,0,0,0,0|1,0,0]=3 7907 B18R0.171 COC(=O)CCCCCCCCCCOCCCO 7a_100011003013_100011215043 [0,2,0,0,0,0|1,0,0]=3 7908 B18R0.171 COC(=O)CCCCCCCCCCOCCON 34a_100000700252_100009812566 [0,2,0,0,0,0|2,0,0]=4 7909 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 34a_100000230434_100009812566 [0,2,0,0,0,0|1,0,0]=3 7910 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 34a_100011003013_100000212216 [0,2,0,0,0,0|1,0,0]=3 7911 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 7a_100000230434_100009812566 [0,2,0,0,0,0|1,0,0]=3 7912 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 7a_100011003013_100000212216 [0,2,0,0,0,0|1,0,0]=3 7913 B18R0.171 COC(=O)CCCCCCCCCCSCCC#N 62a_100011215226_100009812566 [0,2,0,0,0,0|1,0,1]=4 7914 B18R0.171 COC(=O)CCCCCCCCCCSCCCF 62a_100011934791_100009812566 [0,2,0,0,0,0|1,0,0]=3 7915 B18R0.171 COC(=O)CCCCCCCCCCSCCCO 62a_100011215043_100009812566 [0,2,0,0,0,0|1,0,0]=3 7916 B18R0.171 COC(=O)CCCCCCCCCCSCCSC 62a_100000212216_100009812566 [0,2,0,0,0,0|1,0,0]=3 7917 B18R0.171 COC(=O)CCCCCCCCCNCCCCO 2230a_100000750430_100009813843 [0,2,0,0,0,0|1,0,0]=3 7918 B18R0.171 COC(=O)CCCCCCCCCNCCCCO 34a_100000750430_100009813843 [0,2,0,0,0,0|1,0,0]=3 7919 B18R0.171 COC(=O)CCCCCCCCCNCCCSC 2230a_100000749238_100009813843 [0,2,0,0,0,0|1,0,0]=3 7920 B18R0.171 COC(=O)CCCCCCCCCOCCCCBr 34a_100011216708_100009813843 [0,2,0,0,0,0|1,0,0]=3 7921 B18R0.171 COC(=O)CCCCCCCCCOCCCCCl 34a_100000210776_100009813843 [0,2,0,0,0,0|1,0,0]=3 7922 B18R0.171 COC(=O)CCCCCCCCCOCCCCCl 7a_100000210776_100009813843 [0,2,0,0,0,0|1,0,0]=3 7923 B18R0.171 COC(=O)CCCCCCCCCOCCCCF 34a_100011995726_100009813843 [0,2,0,0,0,0|1,0,0]=3 7924 B18R0.171 COC(=O)CCCCCCCCCOCCCCF 7a_100011995726_100009813843 [0,2,0,0,0,0|1,0,0]=3 7925 B18R0.171 COC(=O)CCCCCCCCCOCCCCI 34a_200012148704_100009813843 [0,2,0,0,0,0|1,0,0]=3 7926 B18R0.171 COC(=O)CCCCCCCCCOCCCCN 34a_100000750430_100009813843 [0,2,0,0,0,0|1,0,0]=3 7927 B18R0.171 COC(=O)CCCCCCCCCOCCCSC 34a_100000690336_100009813843 [0,2,0,0,0,0|1,0,0]=3 7928 B18R0.171 COC(=O)CCCCCCCCCOCCCSC 7a_100000690336_100009813843 [0,2,0,0,0,0|1,0,0]=3 7929 B18R0.171 COC(=O)CCCCCCCCCSCCCC#N 62a_100000687738_100009813843 [0,2,0,0,0,0|1,0,1]=4 7930 B18R0.171 COC(=O)CCCCCCCCCSCCCC=O 62a_200011292268_100009813843 [0,2,0,0,0,0|1,0,1]=4 7931 B18R0.171 COC(=O)CCCCCCCCCSCCCCF 62a_100000729493_100009813843 [0,2,0,0,0,0|1,0,0]=3 7932 B18R0.171 COC(=O)CCCCCCCCCSCCCCO 62a_100000210776_100009813843 [0,2,0,0,0,0|1,0,0]=3 7933 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 2230a_100000762737_100010282707 [0,2,0,0,0,0|1,0,0]=3 7934 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 34a_100000762737_100010282707 [0,2,0,0,0,0|1,0,0]=3 7935 B18R0.171 COC(=O)CCCCCCCCNCCOCCO 2230a_100000211614_100010282707 [0,2,0,0,0,0|2,0,0]=4 7936 B18R0.171 COC(=O)CCCCCCCCNCCOCCO 34a_100000211614_100010282707 [0,2,0,0,0,0|2,0,0]=4 7937 B18R0.171 COC(=O)CCCCCCCCNCCSCCO 2230a_100011219999_100010282707 [0,2,0,0,0,0|2,0,0]=4 7938 B18R0.171 COC(=O)CCCCCCCCOCCCCC#N 7a_100000035544_100000211819 [0,2,0,0,0,0|1,0,1]=4 7939 B18R0.171 COC(=O)CCCCCCCCOCCCCC=O 7a_100000035544_100000139335 [0,2,0,0,0,0|1,0,1]=4 7940 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 34a_100000746331_100010282707 [0,2,0,0,0,0|1,0,0]=3 7941 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 7a_100000746331_100010282707 [0,2,0,0,0,0|1,0,0]=3 7942 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 34a_100000746330_100010282707 [0,2,0,0,0,0|1,0,0]=3 7943 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 7a_100000746330_100010282707 [0,2,0,0,0,0|1,0,0]=3 7944 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 34a_100000035544_100000729378 [0,2,0,0,0,0|1,0,0]=3 7945 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 7a_100000035544_100000729378 [0,2,0,0,0,0|1,0,0]=3 7946 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 34a_200012148887_100010282707 [0,2,0,0,0,0|1,0,0]=3 7947 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 7a_200012148887_100010282707 [0,2,0,0,0,0|1,0,0]=3 7948 B18R0.171 COC(=O)CCCCCCCCOCCCCCN 34a_100000762737_100010282707 [0,2,0,0,0,0|1,0,0]=3 7949 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 34a_100000035544_100000746330 [0,2,0,0,0,0|1,0,0]=3 7950 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 7a_100000035544_100000746330 [0,2,0,0,0,0|1,0,0]=3 7951 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 34a_100011217163_100010282707 [0,2,0,0,0,0|1,0,0]=3 7952 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 7a_100011217163_100010282707 [0,2,0,0,0,0|1,0,0]=3 7953 B18R0.171 COC(=O)CCCCCCCCOCCOCCBr 34a_100000692535_100010282707 [0,2,0,0,0,0|2,0,0]=4 7954 B18R0.171 COC(=O)CCCCCCCCOCCOCCBr 7a_100000692535_100010282707 [0,2,0,0,0,0|2,0,0]=4 7955 B18R0.171 COC(=O)CCCCCCCCOCCOCCCl 34a_100011215305_100010282707 [0,2,0,0,0,0|2,0,0]=4 7956 B18R0.171 COC(=O)CCCCCCCCOCCOCCCl 7a_100011215305_100010282707 [0,2,0,0,0,0|2,0,0]=4 7957 B18R0.171 COC(=O)CCCCCCCCOCCOCCF 34a_200015357709_100010282707 [0,2,0,0,0,0|2,0,0]=4 7958 B18R0.171 COC(=O)CCCCCCCCOCCOCCF 7a_200015357709_100010282707 [0,2,0,0,0,0|2,0,0]=4 7959 B18R0.171 COC(=O)CCCCCCCCOCCOCCI 34a_100012149058_100010282707 [0,2,0,0,0,0|2,0,0]=4 7960 B18R0.171 COC(=O)CCCCCCCCOCCOCCI 7a_100012149058_100010282707 [0,2,0,0,0,0|2,0,0]=4 7961 B18R0.171 COC(=O)CCCCCCCCOCCOCCN 34a_100000211614_100010282707 [0,2,0,0,0,0|2,0,0]=4 7962 B18R0.171 COC(=O)CCCCCCCCOCCOCCO 34a_100000035544_100000692535 [0,2,0,0,0,0|2,0,0]=4 7963 B18R0.171 COC(=O)CCCCCCCCOCCOCCO 7a_100000035544_100011215305 [0,2,0,0,0,0|2,0,0]=4 7964 B18R0.171 COC(=O)CCCCCCCCSCCCCC#N 62a_100010282707_100000211819 [0,2,0,0,0,0|1,0,1]=4 7965 B18R0.171 COC(=O)CCCCCCCCSCCCCC#N 62a_100011219923_100010282707 [0,2,0,0,0,0|1,0,1]=4 7966 B18R0.171 COC(=O)CCCCCCCCSCCCCC=O 62a_100000139335_100010282707 [0,2,0,0,0,0|1,0,1]=4 7967 B18R0.171 COC(=O)CCCCCCCCSCCCCC=O 62a_100010282707_100000139335 [0,2,0,0,0,0|1,0,1]=4 7968 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100000729378_100010282707 [0,2,0,0,0,0|1,0,0]=3 7969 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100010282707_100000729378 [0,2,0,0,0,0|1,0,0]=3 7970 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100000746330_100010282707 [0,2,0,0,0,0|1,0,0]=3 7971 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100010282707_100000746330 [0,2,0,0,0,0|1,0,0]=3 7972 B18R0.171 COC(=O)CCCCCCCCSCCOCCO 62a_100010282707_100011215305 [0,2,0,0,0,0|2,0,0]=4 7973 B18R0.171 COC(=O)CCCCCCCCSCCOCCO 62a_100011215305_100010282707 [0,2,0,0,0,0|2,0,0]=4 7974 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 2230a_100000686447_100010004213 [0,2,0,0,0,0|1,0,0]=3 7975 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 34a_100000686447_100010004213 [0,2,0,0,0,0|1,0,0]=3 7976 B18R0.171 COC(=O)CCCCCCCOCCCCCC#N 7a_100011022521_100009813376 [0,2,0,0,0,0|1,0,1]=4 7977 B18R0.171 COC(=O)CCCCCCCOCCCCCC=O 7a_100011022521_100000139337 [0,2,0,0,0,0|1,0,1]=4 7978 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 34a_100011215345_100010004213 [0,2,0,0,0,0|1,0,0]=3 7979 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 7a_100011215345_100010004213 [0,2,0,0,0,0|1,0,0]=3 7980 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 34a_100000766143_100010004213 [0,2,0,0,0,0|1,0,0]=3 7981 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 7a_100000766143_100010004213 [0,2,0,0,0,0|1,0,0]=3 7982 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100000732779_100010004213 [0,2,0,0,0,0|1,0,0]=3 7983 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100011022521_100015922095 [0,2,0,0,0,0|1,0,0]=3 7984 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100000732779_100010004213 [0,2,0,0,0,0|1,0,0]=3 7985 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100011022521_100015922095 [0,2,0,0,0,0|1,0,0]=3 7986 B18R0.171 COC(=O)CCCCCCCOCCCCCCN 34a_100000686447_100010004213 [0,2,0,0,0,0|1,0,0]=3 7987 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 34a_100011022521_100000766143 [0,2,0,0,0,0|1,0,0]=3 7988 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 7a_100011022521_100000766143 [0,2,0,0,0,0|1,0,0]=3 7989 B18R0.171 COC(=O)CCCCCCCSCCCCCC#N 62a_100009813376_100010004213 [0,2,0,0,0,0|1,0,1]=4 7990 B18R0.171 COC(=O)CCCCCCCSCCCCCC#N 62a_100010004213_100009813376 [0,2,0,0,0,0|1,0,1]=4 7991 B18R0.171 COC(=O)CCCCCCCSCCCCCC=O 62a_100000139337_100010004213 [0,2,0,0,0,0|1,0,1]=4 7992 B18R0.171 COC(=O)CCCCCCCSCCCCCC=O 62a_100010004213_100000139337 [0,2,0,0,0,0|1,0,1]=4 7993 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100010004213_100015922095 [0,2,0,0,0,0|1,0,0]=3 7994 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100015922095_100010004213 [0,2,0,0,0,0|1,0,0]=3 7995 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100000766143_100010004213 [0,2,0,0,0,0|1,0,0]=3 7996 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100010004213_100000766143 [0,2,0,0,0,0|1,0,0]=3 7997 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 2230a_100011996573_100009815986 [0,2,0,0,0,0|1,0,0]=3 7998 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 34a_100011996573_100009815986 [0,2,0,0,0,0|1,0,0]=3 7999 B18R0.171 COC(=O)CCCCCCNCCCOCCCO 2230a_100011310245_100009815986 [0,2,0,0,0,0|2,0,0]=4 8000 B18R0.171 COC(=O)CCCCCCNCCCOCCCO 34a_100011310245_100009815986 [0,2,0,0,0,0|2,0,0]=4 8001 B18R0.171 COC(=O)CCCCCCOCCCCCCC#N 7a_100009863599_100009813337 [0,2,0,0,0,0|1,0,1]=4 8002 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 34a_100000760002_100009815986 [0,2,0,0,0,0|1,0,0]=3 8003 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 7a_100000760002_100009815986 [0,2,0,0,0,0|1,0,0]=3 8004 B18R0.171 COC(=O)CCCCCCOCCCCCCCN 34a_100011996573_100009815986 [0,2,0,0,0,0|1,0,0]=3 8005 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 34a_100009863599_100000760002 [0,2,0,0,0,0|1,0,0]=3 8006 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 7a_100009863599_100000760002 [0,2,0,0,0,0|1,0,0]=3 8007 B18R0.171 COC(=O)CCCCCCOCCCOCCCN 34a_100011310245_100009815986 [0,2,0,0,0,0|2,0,0]=4 8008 B18R0.171 COC(=O)CCCCCCSCCCCCCC#N 62a_100009813337_100009815986 [0,2,0,0,0,0|1,0,1]=4 8009 B18R0.171 COC(=O)CCCCCCSCCCCCCC#N 62a_100009815986_100009813337 [0,2,0,0,0,0|1,0,1]=4 8010 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100000760002_100009815986 [0,2,0,0,0,0|1,0,0]=3 8011 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100009815986_100000760002 [0,2,0,0,0,0|1,0,0]=3 8012 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009816466 [0,2,0,0,0,0|1,0,0]=3 8013 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009816466 [0,2,0,0,0,0|1,0,0]=3 8014 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009816466 [0,2,0,0,0,0|1,0,0]=3 8015 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009816466 [0,2,0,0,0,0|1,0,0]=3 8016 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009816466 [0,2,0,0,0,0|1,0,0]=3 8017 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009816466 [0,2,0,0,0,0|1,0,0]=3 8018 B18R0.171 COC(=O)CCCCCOCCCCCCCCN 34a_102515433106_100009816466 [0,2,0,0,0,0|1,0,0]=3 8019 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 34a_100000074720_100000033203 [0,2,0,0,0,0|1,0,0]=3 8020 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 7a_100000074720_100000033203 [0,2,0,0,0,0|1,0,0]=3 8021 B18R0.171 COC(=O)CCCCCOCCCCCNCCN 34a_103619048469_100009816466 [0,2,0,0,0,0|2,0,0]=4 8022 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009816466 [0,2,0,0,0,0|1,0,0]=3 8023 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100009816466_100000033203 [0,2,0,0,0,0|1,0,0]=3 8024 B18R0.171 COC(=O)CCCCNCCCCCCCCCO 2230a_100000078944_100000204269 [0,2,0,0,0,0|1,0,0]=3 8025 B18R0.171 COC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100000204269 [0,2,0,0,0,0|1,0,0]=3 8026 B18R0.171 COC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100000204269 [0,2,0,0,0,0|1,0,0]=3 8027 B18R0.171 COC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000204269 [0,2,0,0,0,0|1,0,0]=3 8028 B18R0.171 COC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100000204269 [0,2,0,0,0,0|1,0,0]=3 8029 B18R0.171 COC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000204269 [0,2,0,0,0,0|1,0,0]=3 8030 B18R0.171 COC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100000204269 [0,2,0,0,0,0|1,0,0]=3 8031 B18R0.171 COC(=O)CCCCOCCCCCCCCCO 34a_100000059025_100009813782 [0,2,0,0,0,0|1,0,0]=3 8032 B18R0.171 COC(=O)CCCCOCCCCCCCCCO 7a_100000059025_100009813782 [0,2,0,0,0,0|1,0,0]=3 8033 B18R0.171 COC(=O)CCCCSCCCCCCCCCO 62a_100000204269_100009813782 [0,2,0,0,0,0|1,0,0]=3 8034 B18R0.171 COC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000204269 [0,2,0,0,0,0|1,0,0]=3 8035 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100011218270 [0,2,0,0,0,0|1,0,0]=3 8036 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000742333 [0,2,0,0,0,0|1,0,0]=3 8037 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000742333 [0,2,0,0,0,0|1,0,0]=3 8038 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011218270 [0,2,0,0,0,0|1,0,0]=3 8039 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000742333 [0,2,0,0,0,0|1,0,0]=3 8040 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011218270 [0,2,0,0,0,0|1,0,0]=3 8041 B18R0.171 COC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000742333 [0,2,0,0,0,0|1,0,0]=3 8042 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011218270 [0,2,0,0,0,0|1,0,0]=3 8043 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100011218270_200000033068 [0,2,0,0,0,0|1,0,0]=3 8044 B18R0.171 COC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000742370 [0,2,0,0,0,0|1,0,0]=3 8045 B18R0.171 COC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000204255 [0,2,0,0,0,0|1,0,0]=3 8046 B18R0.171 COC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000204255 [0,2,0,0,0,0|1,0,0]=3 8047 B18R0.171 COC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747449 [0,2,0,0,0,0|1,0,0]=3 8048 B18R0.171 COC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000747449 [0,2,0,0,0,0|1,0,0]=3 8049 B18R0.171 COC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000747449 [0,2,0,0,0,0|1,0,0]=3 8050 B18R0.171 COC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000747449 [0,2,0,0,0,0|1,0,0]=3 8051 B18R0.171 COC(=O)COCCCCCCCCCCCCN 34a_100000066677_100000747449 [0,2,0,0,0,0|1,0,0]=3 8052 B18R0.171 COC(=O)COCCCCCOCCCCCCCl 34a_200132310570_100000747449 [0,2,0,0,0,0|2,0,0]=4 8053 B18R0.171 COC(=O)COCCCCCOCCCCCCCl 7a_200132310570_100000747449 [0,2,0,0,0,0|2,0,0]=4 8054 B18R0.171 COC(=O)COCCNCCCCCCCCCO 2230a_100000078944_100000090808 [0,2,0,0,0,0|2,0,0]=4 8055 B18R0.171 COC(=O)COCCNCCCCCCCCCO 34a_100000078944_100000090808 [0,2,0,0,0,0|2,0,0]=4 8056 B18R0.171 COC(=O)COCCOCCCCCCCCCBr 34a_100009813782_100000090808 [0,2,0,0,0,0|2,0,0]=4 8057 B18R0.171 COC(=O)COCCOCCCCCCCCCBr 7a_100009813782_100000090808 [0,2,0,0,0,0|2,0,0]=4 8058 B18R0.171 COC(=O)COCCOCCCCCCCCCCl 34a_100009868337_100000090808 [0,2,0,0,0,0|2,0,0]=4 8059 B18R0.171 COC(=O)COCCOCCCCCCCCCCl 7a_100009868337_100000090808 [0,2,0,0,0,0|2,0,0]=4 8060 B18R0.171 COC(=O)COCCOCCCCCCCCCN 34a_100000078944_100000090808 [0,2,0,0,0,0|2,0,0]=4 8061 B18R0.171 COC(=O)COCCSCCCCCCCCCO 62a_100000090808_100009813782 [0,2,0,0,0,0|2,0,0]=4 8062 B18R0.171 COC(=O)COCCSCCCCCCCCCO 62a_100009813782_100000090808 [0,2,0,0,0,0|2,0,0]=4 8063 B18R0.171 COC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747449 [0,2,0,0,0,0|1,0,0]=3 8064 B18R0.171 COC(=O)CSCCCCCCOCCCCCO 62a_100000747449_200132310570 [0,2,0,0,0,0|2,0,0]=4 8065 B18R0.171 COC(=O)CSCCCCCCOCCCCCO 62a_200132310570_100000747449 [0,2,0,0,0,0|2,0,0]=4 8066 B18R0.171 COC(=O)NCCOCCCCCCCCCCO 34a_100000757965_100009813290 [0,2,0,0,0,0|2,0,0]=4 8067 B18R0.171 COC(=O)OCCOCCCCCCCCCCO 34a_100010262106_100009813290 [0,2,0,0,0,0|2,0,0]=4 8068 B18R0.171 COC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000139417 [0,2,0,0,0,0|2,0,0]=4 8069 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100011998445 [0,2,0,0,0,0|1,0,0]=3 8070 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_200012092642_100009815986 [0,2,0,0,0,0|1,0,0]=3 8071 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100011998445 [0,2,0,0,0,0|1,0,0]=3 8072 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_200012092642_100009815986 [0,2,0,0,0,0|1,0,0]=3 8073 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100011998445 [0,2,0,0,0,0|1,0,0]=3 8074 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100011998445_100009815986 [0,2,0,0,0,0|1,0,0]=3 8075 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 2230a_100000747528_100010004213 [0,2,0,0,0,0|1,0,0]=3 8076 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 34a_100000747528_100010004213 [0,2,0,0,0,0|1,0,0]=3 8077 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000755781 [0,2,0,0,0,0|1,0,0]=3 8078 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000740925_100010282707 [0,2,0,0,0,0|1,0,0]=3 8079 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000730899 [0,2,0,0,0,0|1,0,0]=3 8080 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100000730899_100010282707 [0,2,0,0,0,0|1,0,0]=3 8081 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000730899 [0,2,0,0,0,0|1,0,0]=3 8082 B18R0.171 COCCCNCCCCCCCCCC(=O)OC 34a_100150723488_100009813843 [0,2,0,0,0,0|1,0,0]=3 8083 B18R0.171 COCCCOCCCCCCCCCC(=O)OC 34a_100000740835_100009813843 [0,2,0,0,0,0|1,0,0]=3 8084 B18R0.171 COCCCOCCCOCCCCCC(=O)OC 34a_200011215475_100009816466 [0,2,0,0,0,0|2,0,0]=4 8085 B18R0.171 COCCCOCCCOCCCCCC(=O)OC 7a_200011215475_100009816466 [0,2,0,0,0,0|2,0,0]=4 8086 B18R0.171 COCCCSCCCCCCCCCC(=O)OC 62a_100000709357_100009813843 [0,2,0,0,0,0|1,0,0]=3 8087 B18R0.171 COCCNCCCCCCCCCCC(=O)OC 2230a_100000209980_100009812566 [0,2,0,0,0,0|1,0,0]=3 8088 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 34a_100000210237_100009812566 [0,2,0,0,0,0|1,0,0]=3 8089 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100011201679 [0,2,0,0,0,0|1,0,0]=3 8090 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000233755 [0,2,0,0,0,0|1,0,0]=3 8091 B18R0.171 COCCOCCCNCCCCCCC(=O)OC 2230a_100000206027_100009815986 [0,2,0,0,0,0|2,0,0]=4 8092 B18R0.171 COCCOCCCNCCCCCCC(=O)OC 34a_100000206027_100009815986 [0,2,0,0,0,0|2,0,0]=4 8093 B18R0.171 COCCOCCCOCCCCCCC(=O)OC 34a_100009863599_100011216529 [0,2,0,0,0,0|2,0,0]=4 8094 B18R0.171 COCCOCCCOCCCCCCC(=O)OC 7a_100009863599_100011216529 [0,2,0,0,0,0|2,0,0]=4 8095 B18R0.171 COCCOCCCSCCCCCCC(=O)OC 62a_100009815986_100011216529 [0,2,0,0,0,0|2,0,0]=4 8096 B18R0.171 COCCOCCCSCCCCCCC(=O)OC 62a_100011216529_100009815986 [0,2,0,0,0,0|2,0,0]=4 8097 B18R0.171 COCCOCCNCCCCCCCC(=O)OC 2230a_100000745349_100010004213 [0,2,0,0,0,0|2,0,0]=4 8098 B18R0.171 COCCOCCNCCCCCCCC(=O)OC 34a_100000745349_100010004213 [0,2,0,0,0,0|2,0,0]=4 8099 B18R0.171 COCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000695917 [0,2,0,0,0,0|2,0,0]=4 8100 B18R0.171 COCCOCCOCCCCCCCC(=O)OC 34a_100011215163_100010004213 [0,2,0,0,0,0|2,0,0]=4 8101 B18R0.171 COCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100000695917 [0,2,0,0,0,0|2,0,0]=4 8102 B18R0.171 COCCOCCOCCCCCCCC(=O)OC 7a_100011215163_100010004213 [0,2,0,0,0,0|2,0,0]=4 8103 B18R0.171 COCCOCCSCCCCCCCC(=O)OC 62a_100000695917_100010004213 [0,2,0,0,0,0|2,0,0]=4 8104 B18R0.171 COCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100000695917 [0,2,0,0,0,0|2,0,0]=4 8105 B18R0.171 COCCOCSCCCCCCCCC(=O)OC 62a_100000231047_100010282707 [0,2,0,0,0,0|2,0,0]=4 8106 B18R0.171 COCCOCSCCCCCCCCC(=O)OC 62a_100010282707_100000231047 [0,2,0,0,0,0|2,0,0]=4 8107 B18R0.171 COCCSCCCCCCCCCCC(=O)OC 62a_100000233755_100009812566 [0,2,0,0,0,0|1,0,0]=3 8108 B18R0.171 COCSCCCCCCCCCCCC(=O)OC 62a_100000766300_100010983606 [0,2,0,0,0,0|1,0,0]=3 8109 B18R0.171 NC(=NO)CCOCCCCCCCCCCCO 34a_100000749954_100009812471 [0,2,0,0,0,0|2,0,0]=4 8110 B18R0.171 NNC(=O)CCCOCCCCCCCCCCO 34a_100000211488_100009813290 [0,2,0,0,0,0|2,0,0]=4 8111 B18R0.174 C=C(Br)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100009813364 [0,2,0,0,0,0|2,0,0]=4 8112 B18R0.174 C=C(Br)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100009813364 [0,2,0,0,0,0|2,0,0]=4 8113 B18R0.174 C=C(C)C(=O)CCCCCCCCCCCCCO 1458a_100000185857_100009812470 [0,2,0,0,0,0|2,0,0]=4 8114 B18R0.174 C=C(C)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100000185857 [0,2,0,0,0,0|2,0,0]=4 8115 B18R0.174 C=C(C)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185857 [0,2,0,0,0,0|2,0,0]=4 8116 B18R0.174 C=C(C)C(C)NCCCCCCCCCCCCC 269862a_100011215765_100011216138 [0,2,0,0,0,0|2,0,0]=4 8117 B18R0.174 C=C(Cl)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100000039160 [0,2,0,0,0,0|2,0,0]=4 8118 B18R0.174 C=C(Cl)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000039160 [0,2,0,0,0,0|2,0,0]=4 8119 B18R0.174 C=C(F)C(=O)NCCCCCCCCCCCCC 11a_100011215765_100000036797 [0,2,0,0,0,0|2,0,0]=4 8120 B18R0.174 C=C(F)C(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000036797 [0,2,0,0,0,0|2,0,0]=4 8121 B18R0.174 C=CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_102130925996 [0,2,0,0,0,0|0,0,2]=4 8122 B18R0.174 C=CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011093070 [0,2,0,0,0,0|0,0,2]=4 8123 B18R0.174 C=CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011093070 [0,2,0,0,0,0|0,0,2]=4 8124 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 34a_100000032740_100009812471 [0,2,0,0,0,0|2,0,0]=4 8125 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 7a_100000032740_100009812471 [0,2,0,0,0,0|2,0,0]=4 8126 B18R0.174 CC(=O)C(C)NCCCCCCCCCCCCO 2230a_100000066677_100009814033 [0,2,0,0,0,0|2,0,0]=4 8127 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCBr 7a_100009813331_100000179758 [0,2,0,0,0,0|2,0,0]=4 8128 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCO 34a_100000212229_100009813331 [0,2,0,0,0,0|2,0,0]=4 8129 B18R0.174 CC(=O)C(C)SCCCCCCCCCCCCO 62a_100009813331_100009814033 [0,2,0,0,0,0|2,0,0]=4 8130 B18R0.174 CC(C)C(=O)CCCCCCCCCCCCCO 1458a_100000210198_100009812470 [0,2,0,0,0,0|2,0,0]=4 8131 B18R0.174 CC(CNCCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009812471 [0,2,0,0,0,0|1,0,0]=3 8132 B18R0.174 CC(F)C(=O)CCCCCCCCCCCCCO 1458a_100000062450_100009812470 [0,2,0,0,0,0|2,0,0]=4 8133 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 2230a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 8134 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 34a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 8135 B18R0.174 CC(OCCCCCCCCCCCCBr)C(=O)N 34a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 8136 B18R0.174 CC(OCCCCCCCCCCCCBr)C(=O)N 7a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 8137 B18R0.174 CC(OCCCCCCCCCCCCN)C(=O)N 34a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 8138 B18R0.174 CC(SCCCCCCCCCCCCO)C(=O)N 62a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 8139 B18R0.174 CCCCC#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_200000043322 [0,2,0,0,0,0|0,0,2]=4 8140 B18R0.174 CCCCC#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_200000043322 [0,2,0,0,0,0|0,0,2]=4 8141 B18R0.174 CCCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215471 [0,2,0,0,0,0|0,0,0]=2 8142 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000297455 [0,2,0,0,0,0|1,0,0]=3 8143 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000297455 [0,2,0,0,0,0|1,0,0]=3 8144 B18R0.174 CCCCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000297455 [0,2,0,0,0,0|1,0,0]=3 8145 B18R0.174 CCCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215471 [0,2,0,0,0,0|0,0,0]=2 8146 B18R0.174 CCCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215471 [0,2,0,0,0,0|0,0,0]=2 8147 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)N 240690a_100011215765_100011215815 [0,2,0,0,0,0|1,0,1]=4 8148 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 11a_100011215765_100000210198 [0,2,0,0,0,0|2,0,0]=4 8149 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 1626a_100011215765_100000210198 [0,2,0,0,0,0|2,0,0]=4 8150 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 240690a_100011215765_100000210198 [0,2,0,0,0,0|2,0,0]=4 8151 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)C 527a_100011215765_100000210198 [0,2,0,0,0,0|2,0,0]=4 8152 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 11a_100011215765_100000062450 [0,2,0,0,0,0|2,0,0]=4 8153 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 1626a_100011215765_100000062450 [0,2,0,0,0,0|2,0,0]=4 8154 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 240690a_100011215765_100000062450 [0,2,0,0,0,0|2,0,0]=4 8155 B18R0.174 CCCCCCCCCCCCCNC(=O)C(C)F 527a_100011215765_100000062450 [0,2,0,0,0,0|2,0,0]=4 8156 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 11a_100011215765_100000210393 [0,2,0,0,0,0|2,0,0]=4 8157 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 1626a_100011215765_100000210393 [0,2,0,0,0,0|2,0,0]=4 8158 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 240690a_100011215765_100000210393 [0,2,0,0,0,0|2,0,0]=4 8159 B18R0.174 CCCCCCCCCCCCCNC(=O)C(F)F 527a_100011215765_100000210393 [0,2,0,0,0,0|2,0,0]=4 8160 B18R0.174 CCCCCCCCCCCCCNC(=O)C(O)O 240690a_100011215765_100000233687 [0,2,0,0,0,0|1,0,0]=3 8161 B18R0.174 CCCCCCCCCCCCCNC(=O)N(C)C 2708a_100011215765_100102631434 [0,2,0,0,0,0|2,0,0]=4 8162 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100011215765_100000717761 [0,2,0,0,0,0|1,0,0]=3 8163 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100011215765_217856618621 [0,2,0,0,0,0|1,0,0]=3 8164 B18R0.174 CCCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100011215765_217856618621 [0,2,0,0,0,0|1,0,0]=3 8165 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)C 2230a_100011215765_100009814033 [0,2,0,0,0,0|1,0,0]=3 8166 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 2230a_100011215765_100000702099 [0,2,0,0,0,0|1,0,0]=3 8167 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 34a_100011215765_100000702099 [0,2,0,0,0,0|1,0,0]=3 8168 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 2230a_100011215765_100009813875 [0,2,0,0,0,0|1,0,0]=3 8169 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 34a_100011215765_100009813875 [0,2,0,0,0,0|1,0,0]=3 8170 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100011215765_100020610796 [0,2,0,0,0,0|0,0,1]=3 8171 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [0,2,0,0,0,0|0,0,0]=2 8172 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210684 [0,2,0,0,0,0|1,0,0]=3 8173 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_200011215488 [0,2,0,0,0,0|1,0,0]=3 8174 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210684 [0,2,0,0,0,0|1,0,0]=3 8175 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210684 [0,2,0,0,0,0|1,0,0]=3 8176 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 7a_100000185773_100000179758 [0,2,0,0,0,0|1,0,0]=3 8177 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 34a_100000185773_100000702099 [0,2,0,0,0,0|1,0,0]=3 8178 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 7a_100000185773_100000702099 [0,2,0,0,0,0|1,0,0]=3 8179 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 34a_100000185773_100009813875 [0,2,0,0,0,0|1,0,0]=3 8180 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 7a_100000185773_100009813875 [0,2,0,0,0,0|1,0,0]=3 8181 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000185773_100020610796 [0,2,0,0,0,0|0,0,1]=3 8182 B18R0.174 CCCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210684 [0,2,0,0,0,0|0,0,1]=3 8183 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210684 [0,2,0,0,0,0|1,0,0]=3 8184 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210684 [0,2,0,0,0,0|1,0,0]=3 8185 B18R0.174 CCCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011934334 [0,2,0,0,0,0|1,0,0]=3 8186 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011934334 [0,2,0,0,0,0|1,0,0]=3 8187 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011934334 [0,2,0,0,0,0|0,0,1]=3 8188 B18R0.174 CCCCCCCCCCCCNCC(=O)C(=O)C 34a_100000210451_100011261029 [0,2,0,0,0,0|1,0,1]=4 8189 B18R0.174 CCCCCCCCCCCCNCC(=O)C(C)C 2230a_100000210451_100000753385 [0,2,0,0,0,0|2,0,0]=4 8190 B18R0.174 CCCCCCCCCCCCNCC(=O)C(C)C 34a_100000210451_100000753385 [0,2,0,0,0,0|2,0,0]=4 8191 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 2230a_100000210451_100000185267 [0,2,0,0,0,0|2,0,0]=4 8192 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215052 [0,2,0,0,0,0|2,0,0]=4 8193 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 270004a_100015183351_100011218549 [0,2,0,0,0,0|2,0,0]=4 8194 B18R0.174 CCCCCCCCCCCCNCC(=O)N(C)C 34a_100000210451_100000692301 [0,2,0,0,0,0|2,0,0]=4 8195 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [0,2,0,0,0,0|0,0,0]=2 8196 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [0,2,0,0,0,0|0,0,0]=2 8197 B18R0.174 CCCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210810_100011261029 [0,2,0,0,0,0|1,0,1]=4 8198 B18R0.174 CCCCCCCCCCCCOCC(=O)C(C)C 34a_100000210810_100000753385 [0,2,0,0,0,0|2,0,0]=4 8199 B18R0.174 CCCCCCCCCCCCOCC(=O)C(C)C 7a_100000210810_100000753385 [0,2,0,0,0,0|2,0,0]=4 8200 B18R0.174 CCCCCCCCCCCCOCC(=O)N(C)C 34a_100000210810_100000692301 [0,2,0,0,0,0|2,0,0]=4 8201 B18R0.174 CCCCCCCCCCCCOCC(=O)N(C)C 7a_100000210810_100000692301 [0,2,0,0,0,0|2,0,0]=4 8202 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000759014 [0,2,0,0,0,0|1,0,0]=3 8203 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000759014 [0,2,0,0,0,0|1,0,0]=3 8204 B18R0.174 CCCCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000759014 [0,2,0,0,0,0|1,0,1]=4 8205 B18R0.174 CCCCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000759014 [0,2,0,0,0,0|1,0,1]=4 8206 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000759014 [0,2,0,0,0,0|1,0,0]=3 8207 B18R0.174 CCCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000759014 [0,2,0,0,0,0|1,0,1]=4 8208 B18R0.174 CCCCCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000759014 [0,2,0,0,0,0|2,0,0]=4 8209 B18R0.174 CCCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000759014 [0,2,0,0,0,0|2,0,0]=4 8210 B18R0.174 CCCCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011215454 [0,2,0,0,0,0|2,0,0]=4 8211 B18R0.174 CCCCCCCCCCCNCCC(=O)N(C)C 2230a_200011215754_100000737620 [0,2,0,0,0,0|2,0,0]=4 8212 B18R0.174 CCCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011215454 [0,2,0,0,0,0|2,0,0]=4 8213 B18R0.174 CCCCCCCCCCCOCCC(=O)N(C)C 7a_100000210809_100000737620 [0,2,0,0,0,0|2,0,0]=4 8214 B18R0.174 CCCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100011215454 [0,2,0,0,0,0|2,0,0]=4 8215 B18R0.174 CCCCCCCCCCNCCCC(=O)N(C)C 2230a_100000684558_100000737642 [0,2,0,0,0,0|2,0,0]=4 8216 B18R0.174 CCCCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210320 [0,2,0,0,0,0|2,0,0]=4 8217 B18R0.174 CCCCCCCCCCOCCCC(=O)N(C)C 7a_100000210711_100000737642 [0,2,0,0,0,0|2,0,0]=4 8218 B18R0.174 CCCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210320 [0,2,0,0,0,0|2,0,0]=4 8219 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)C 7a_100011628728_100000179758 [0,2,0,0,0,0|2,0,0]=4 8220 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)N 34a_100011628728_100000702099 [0,2,0,0,0,0|2,0,0]=4 8221 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)N 7a_100011628728_100000702099 [0,2,0,0,0,0|2,0,0]=4 8222 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)N 34a_100011628728_100009813875 [0,2,0,0,0,0|2,0,0]=4 8223 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)N 7a_100011628728_100009813875 [0,2,0,0,0,0|2,0,0]=4 8224 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)[O-] 34a_100011628728_100020610796 [0,2,0,0,0,0|1,0,1]=4 8225 B18R0.174 CCCCCCCCCNCCCCC(=O)N(C)C 34a_100000212291_100000752486 [0,2,0,0,0,0|2,0,0]=4 8226 B18R0.174 CCCCCCCCCOCCCCC(=O)N(C)C 34a_100000210712_100000752486 [0,2,0,0,0,0|2,0,0]=4 8227 B18R0.174 CCCCCCCCCOCCCCC(=O)N(C)C 7a_100000210712_100000752486 [0,2,0,0,0,0|2,0,0]=4 8228 B18R0.174 CCCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210670 [0,2,0,0,0,0|2,0,0]=4 8229 B18R0.174 CN(C)C(=O)CCCCCCCCCCCCCO 240690a_100102631434_100020644313 [0,2,0,0,0,0|2,0,0]=4 8230 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813331 [0,2,0,0,0,0|2,0,0]=4 8231 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813331 [0,2,0,0,0,0|2,0,0]=4 8232 B18R0.174 C[C@@H](O)C(=O)CCCCCCCCCCCCCO 1458a_100000717761_100009812470 [0,2,0,0,0,0|1,0,0]=3 8233 B18R0.174 C[C@@H](O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000717761 [0,2,0,0,0,0|2,0,0]=4 8234 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813331 [0,2,0,0,0,0|2,0,0]=4 8235 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813331 [0,2,0,0,0,0|2,0,0]=4 8236 B18R0.174 C[C@H](NCCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813331 [0,2,0,0,0,0|1,0,0]=3 8237 B18R0.174 C[C@H](NCCCCCCOCCCCCO)C(=O)O 269956a_100000743915_200132310570 [0,2,0,0,0,0|2,0,0]=4 8238 B18R0.174 C[C@H](O)C(=O)CCCCCCCCCCCCCO 1458a_217856618621_100009812470 [0,2,0,0,0,0|1,0,0]=3 8239 B18R0.174 C[C@H](O)C(=O)NCCCCCCCCCCCCO 240690a_100000066677_217856618621 [0,2,0,0,0,0|2,0,0]=4 8240 B18R0.174 C[C@H](OCCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813331 [0,2,0,0,0,0|1,0,1]=4 8241 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 2230a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 8242 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 34a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 8243 B18R0.174 NC(=O)C(F)OCCCCCCCCCCCCBr 34a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 8244 B18R0.174 NC(=O)C(F)OCCCCCCCCCCCCBr 7a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 8245 B18R0.174 NC(=O)C(F)SCCCCCCCCCCCCO 62a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 8246 B18R0.174 NC(=O)[C@@H](N)COCCCCCCCCCCCO 34a_100000729942_100009812471 [0,2,0,0,0,0|2,0,0]=4 8247 B18R0.174 NCCCCCCCCCCCCOC(F)C(=O)N 34a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 8248 B18R0.174 NCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066677_100020610796 [0,2,0,0,0,0|1,0,1]=4 8249 B18R0.174 O=C(CCCCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812470 [0,2,0,0,0,0|1,0,0]=3 8250 B18R0.174 O=C(NCCCCCCCCCCCCO)C(O)O 240690a_100000066677_100000233687 [0,2,0,0,0,0|2,0,0]=4 8251 B18R0.174 O=C(O)C(F)CNCCCCCCCCCCCO 269956a_100000084737_100009812471 [0,2,0,0,0,0|1,0,0]=3 8252 B18R0.174 O=C([O-])C(F)NCCCCCCCCCCCCO 34a_100000066677_100020610796 [0,2,0,0,0,0|1,0,1]=4 8253 B18R0.174 O=C([O-])C(F)OCCCCCCCCCCCCBr 34a_100009813331_100020610796 [0,2,0,0,0,0|1,0,1]=4 8254 B18R0.174 O=C([O-])C(F)SCCCCCCCCCCCCO 62a_100009813331_100020610796 [0,2,0,0,0,0|1,0,1]=4 8255 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)C 34a_100000054667_100000685027 [0,2,0,0,0,0|1,0,1]=4 8256 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)C 7a_100000054667_100011215641 [0,2,0,0,0,0|1,0,1]=4 8257 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)N 34a_100000054667_100102525003 [0,2,0,0,0,0|1,0,1]=4 8258 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)N 7a_100000054667_100102525003 [0,2,0,0,0,0|1,0,1]=4 8259 B18R0.176 C#CCCCCCCCCCOCCCCC(=O)C 34a_100000034437_100009817362 [0,2,0,0,0,0|1,0,1]=4 8260 B18R0.176 C#CCCCCCCCCCOCCCCC(=O)C 7a_100000034437_100000735457 [0,2,0,0,0,0|1,0,1]=4 8261 B18R0.176 C#CCCCCCCCCOCCCCCC(=O)N 34a_100000065265_100009817443 [0,2,0,0,0,0|1,0,1]=4 8262 B18R0.176 C#CCCCCCCCCOCCCCCC(=O)N 7a_100000065265_100009817443 [0,2,0,0,0,0|1,0,1]=4 8263 B18R0.176 C#CCCCNCCCCCCCCCCC(=O)N 34a_100000718082_200010167045 [0,2,0,0,0,0|1,0,1]=4 8264 B18R0.176 C#CCCCOCCCCCCCCCCC(=O)N 34a_100000215630_200010167045 [0,2,0,0,0,0|1,0,1]=4 8265 B18R0.176 C#CCCCOCCCCCCCCCCC(=O)N 7a_100000215630_200010167045 [0,2,0,0,0,0|1,0,1]=4 8266 B18R0.176 C#CCCCSCCCCCCCCCCC(=O)N 62a_100011215417_200010167045 [0,2,0,0,0,0|1,0,1]=4 8267 B18R0.176 C#CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215417 [0,2,0,0,0,0|1,0,1]=4 8268 B18R0.176 C/C=C/CCOCCCCCCCCCCC(=O)N 34a_100016278192_200010167045 [0,2,0,0,0,0|1,0,1]=4 8269 B18R0.176 CC#CCCOCCCCCCCCCCC(=O)N 34a_100000750427_200010167045 [0,2,0,0,0,0|1,0,1]=4 8270 B18R0.176 CC(=O)NCCCCCCNCCCCCCCO 2230a_200011996284_100000760002 [0,2,0,0,0,0|2,0,0]=4 8271 B18R0.176 CC(=O)NCCCCCCNCCCCCCCO 34a_200011996284_100000760002 [0,2,0,0,0,0|2,0,0]=4 8272 B18R0.176 CC(=O)NCCCCCNCCCCCCCCO 2230a_200012022750_100000033203 [0,2,0,0,0,0|2,0,0]=4 8273 B18R0.176 CC(=O)NCCCCCNCCCCCCCCO 34a_200012022750_100000033203 [0,2,0,0,0,0|2,0,0]=4 8274 B18R0.176 CC(=O)NCCCCNCCCCCCCCCO 2230a_200011368371_100009813782 [0,2,0,0,0,0|2,0,0]=4 8275 B18R0.176 CC(=O)NCCCCNCCCCCCCCCO 34a_200011368371_100009813782 [0,2,0,0,0,0|2,0,0]=4 8276 B18R0.176 CC(=O)NCCCNCCCCCCCCCCO 34a_100000736810_100009813290 [0,2,0,0,0,0|2,0,0]=4 8277 B18R0.176 CC(=O)NCCCOCCCCCCCCCCO 34a_100000752032_100009813290 [0,2,0,0,0,0|2,0,0]=4 8278 B18R0.176 CC(=O)NCCNCCCCCCCCCCCO 2230a_100000209853_100009812471 [0,2,0,0,0,0|2,0,0]=4 8279 B18R0.176 CC(=O)NCCOCCCCCCCCCCCBr 7a_100009812471_100000189650 [0,2,0,0,0,0|2,0,0]=4 8280 B18R0.176 CC(=O)NCCOCCCCCCCCCCCO 34a_100000158858_100009812471 [0,2,0,0,0,0|2,0,0]=4 8281 B18R0.176 CC(=O)NCCSCCCCCCCCCCCO 62a_100009812471_100000189650 [0,2,0,0,0,0|2,0,0]=4 8282 B18R0.176 CC(=O)OCCCCCNCCCCCCCCO 2230a_102515433106_100009813381 [0,2,0,0,0,0|2,0,0]=4 8283 B18R0.176 CC(=O)OCCCCCNCCCCCCCCO 34a_102515433106_100000033007 [0,2,0,0,0,0|2,0,0]=4 8284 B18R0.176 CC(=O)OCCCCCOCCCCCCCCBr 34a_100009813846_100000033007 [0,2,0,0,0,0|2,0,0]=4 8285 B18R0.176 CC(=O)OCCCCCOCCCCCCCCBr 7a_100009813846_100000033007 [0,2,0,0,0,0|2,0,0]=4 8286 B18R0.176 CC(=O)OCCCCCOCCCCCCCCCl 34a_100000033203_100000033007 [0,2,0,0,0,0|2,0,0]=4 8287 B18R0.176 CC(=O)OCCCCCOCCCCCCCCCl 7a_100000033203_100000033007 [0,2,0,0,0,0|2,0,0]=4 8288 B18R0.176 CC(=O)OCCCCCOCCCCCCCCN 34a_102515433106_100000033007 [0,2,0,0,0,0|2,0,0]=4 8289 B18R0.176 CC(=O)OCCCCCSCCCCCCCCO 62a_100000033007_100000033203 [0,2,0,0,0,0|2,0,0]=4 8290 B18R0.176 CC(=O)OCCCCCSCCCCCCCCO 62a_100000033203_100000033007 [0,2,0,0,0,0|2,0,0]=4 8291 B18R0.176 CC(=O)OCCCCNCCCCCCCCCO 34a_100000078944_100000033659 [0,2,0,0,0,0|2,0,0]=4 8292 B18R0.176 CC(=O)OCCCCOCCCCCCCCCBr 34a_100009813782_100000033659 [0,2,0,0,0,0|2,0,0]=4 8293 B18R0.176 CC(=O)OCCCCOCCCCCCCCCBr 7a_100009813782_100000033659 [0,2,0,0,0,0|2,0,0]=4 8294 B18R0.176 CC(=O)OCCCCOCCCCCCCCCCl 34a_100009868337_100000033659 [0,2,0,0,0,0|2,0,0]=4 8295 B18R0.176 CC(=O)OCCCCOCCCCCCCCCCl 7a_100009868337_100000033659 [0,2,0,0,0,0|2,0,0]=4 8296 B18R0.176 CC(=O)OCCCCOCCCCCCCCCN 34a_100000078944_100000033659 [0,2,0,0,0,0|2,0,0]=4 8297 B18R0.176 CC(=O)OCCCCOCCCCCCCCCO 34a_100000073216_100009813782 [0,2,0,0,0,0|2,0,0]=4 8298 B18R0.176 CC(=O)OCCCCOCCCCCCCCCO 7a_100000073216_100009813782 [0,2,0,0,0,0|2,0,0]=4 8299 B18R0.176 CC(=O)OCCCCSCCCCCCCCCO 62a_100000033659_100009813782 [0,2,0,0,0,0|2,0,0]=4 8300 B18R0.176 CC(=O)OCCCCSCCCCCCCCCO 62a_100009813782_100000033659 [0,2,0,0,0,0|2,0,0]=4 8301 B18R0.176 CC(=O)OCCCNCCCCCCCCCCO 34a_100000066964_100000042594 [0,2,0,0,0,0|2,0,0]=4 8302 B18R0.176 CC(=O)OCCCOCCCCCCCCCCBr 34a_100009813290_100000042594 [0,2,0,0,0,0|2,0,0]=4 8303 B18R0.176 CC(=O)OCCCOCCCCCCCCCCBr 7a_100009813290_100000042594 [0,2,0,0,0,0|2,0,0]=4 8304 B18R0.176 CC(=O)OCCCOCCCCCCCCCCCl 34a_200000033068_100000042594 [0,2,0,0,0,0|2,0,0]=4 8305 B18R0.176 CC(=O)OCCCOCCCCCCCCCCCl 7a_200000033068_100000042594 [0,2,0,0,0,0|2,0,0]=4 8306 B18R0.176 CC(=O)OCCCOCCCCCCCCCCN 34a_100000066964_100000042594 [0,2,0,0,0,0|2,0,0]=4 8307 B18R0.176 CC(=O)OCCCSCCCCCCCCCCO 62a_100000042594_200000033068 [0,2,0,0,0,0|2,0,0]=4 8308 B18R0.176 CC(=O)OCCCSCCCCCCCCCCO 62a_100009813290_100000042594 [0,2,0,0,0,0|2,0,0]=4 8309 B18R0.176 CC(=O)OCCOCCCCCCCCCCCBr 34a_100009812471_100009814007 [0,2,0,0,0,0|2,0,0]=4 8310 B18R0.176 CC(=O)OCCOCCCCCCCCCCCBr 7a_100009812471_100009814007 [0,2,0,0,0,0|2,0,0]=4 8311 B18R0.176 CC(=O)OCCSCCCCCCCCCCCO 62a_100009812471_100009814007 [0,2,0,0,0,0|2,0,0]=4 8312 B18R0.176 CC(=O)OCNCCCCCCCCCCCCO 34a_100000066677_100009813279 [0,2,0,0,0,0|2,0,0]=4 8313 B18R0.176 CC(=O)OCOCCCCCCCCCCCCBr 34a_100009813331_100009813279 [0,2,0,0,0,0|2,0,0]=4 8314 B18R0.176 CC(=O)OCOCCCCCCCCCCCCN 34a_100000066677_100009813279 [0,2,0,0,0,0|2,0,0]=4 8315 B18R0.176 CC(=O)OCSCCCCCCCCCCCCO 62a_100009813331_100000076356 [0,2,0,0,0,0|2,0,0]=4 8316 B18R0.176 CC(=O)SCCCCCCCCCCCNCCF 34a_100000724931_100010140907 [0,2,0,0,0,0|2,0,0]=4 8317 B18R0.176 CC(=O)SCCCCCCCCCCCNCCO 2230a_100016997473_100010140907 [0,2,0,0,0,0|2,0,0]=4 8318 B18R0.176 CC(=O)SCCCCCCCCCCCNCCO 34a_100016990907_100010140907 [0,2,0,0,0,0|2,0,0]=4 8319 B18R0.176 CC(=O)SCCCCCCCCCCCOCCBr 34a_100000211926_100010140907 [0,2,0,0,0,0|2,0,0]=4 8320 B18R0.176 CC(=O)SCCCCCCCCCCCOCCN 34a_100000210304_100010140907 [0,2,0,0,0,0|2,0,0]=4 8321 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100010140907_100011217306 [0,2,0,0,0,0|2,0,0]=4 8322 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100011217306_100010140907 [0,2,0,0,0,0|2,0,0]=4 8323 B18R0.176 CC(=O)SCCCCCCCCCCCSCCO 62a_100000211926_100010140907 [0,2,0,0,0,0|2,0,0]=4 8324 B18R0.176 CC(=O)SCCCCCCCCCCCSCCO 62a_100010140907_100000211926 [0,2,0,0,0,0|2,0,0]=4 8325 B18R0.176 CC(=O)SCCCCNCCCCCCCCCO 2230a_100000078944_200010402107 [0,2,0,0,0,0|2,0,0]=4 8326 B18R0.176 CC(=O)SCCCCNCCCCCCCCCO 34a_100000078944_200010402107 [0,2,0,0,0,0|2,0,0]=4 8327 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 34a_100009813782_200010402107 [0,2,0,0,0,0|2,0,0]=4 8328 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 7a_100009813782_200010402107 [0,2,0,0,0,0|2,0,0]=4 8329 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 34a_100009868337_200010402107 [0,2,0,0,0,0|2,0,0]=4 8330 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 7a_100009868337_200010402107 [0,2,0,0,0,0|2,0,0]=4 8331 B18R0.176 CC(=O)SCCCCOCCCCCCCCCN 34a_100000078944_200010402107 [0,2,0,0,0,0|2,0,0]=4 8332 B18R0.176 CC(=O)SCCCCSCCCCCCCCCO 62a_100009813782_200010402107 [0,2,0,0,0,0|2,0,0]=4 8333 B18R0.176 CC(=O)SCCCCSCCCCCCCCCO 62a_200010402107_100009813782 [0,2,0,0,0,0|2,0,0]=4 8334 B18R0.176 CC(=O)SCCCNCCCCCCCCCCO 2230a_100000066964_100000038929 [0,2,0,0,0,0|2,0,0]=4 8335 B18R0.176 CC(=O)SCCCNCCCCCCCCCCO 34a_100000066964_100000038929 [0,2,0,0,0,0|2,0,0]=4 8336 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 34a_100009813290_100000038929 [0,2,0,0,0,0|2,0,0]=4 8337 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 7a_100009813290_100000038929 [0,2,0,0,0,0|2,0,0]=4 8338 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 34a_200000033068_100000038929 [0,2,0,0,0,0|2,0,0]=4 8339 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 7a_200000033068_100000038929 [0,2,0,0,0,0|2,0,0]=4 8340 B18R0.176 CC(=O)SCCCOCCCCCCCCCCN 34a_100000066964_100000038929 [0,2,0,0,0,0|2,0,0]=4 8341 B18R0.176 CC(=O)SCCCSCCCCCCCCCCO 62a_100000038929_200000033068 [0,2,0,0,0,0|2,0,0]=4 8342 B18R0.176 CC(=O)SCCCSCCCCCCCCCCO 62a_100009813290_100000038929 [0,2,0,0,0,0|2,0,0]=4 8343 B18R0.176 CC/C=C/CCCCCCCCCCOCC(=O)N 34a_200025759790_100000187820 [0,2,0,0,0,0|1,0,1]=4 8344 B18R0.176 CC/C=C/CCCCCCCCCCOCC(=O)N 7a_200025759790_100000187820 [0,2,0,0,0,0|1,0,1]=4 8345 B18R0.176 CC/C=C/CCCCCCCCCCOCC(=O)[O-] 34a_200025759790_100020667443 [0,2,0,0,0,0|0,0,2]=4 8346 B18R0.176 CC/C=C\CCCCCCCNCCCCC(=O)N 269862a_100000696515_200025770492 [0,2,0,0,0,0|1,0,1]=4 8347 B18R0.176 CC/C=C\COCCCCCCCCCCC(=O)N 34a_100016268518_200010167045 [0,2,0,0,0,0|1,0,1]=4 8348 B18R0.176 CC/C=C\CSCCCCCCCCCCC(=O)N 62a_100103147603_200010167045 [0,2,0,0,0,0|1,0,1]=4 8349 B18R0.176 CC/C=C\CSCCCCCCCCCCC(=O)N 62a_200010167045_100103147603 [0,2,0,0,0,0|1,0,1]=4 8350 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)C 34a_200000031908_100000685027 [0,2,0,0,0,0|1,0,1]=4 8351 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)C 7a_200000031908_100011215641 [0,2,0,0,0,0|1,0,1]=4 8352 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)N 34a_200000031908_100102525003 [0,2,0,0,0,0|1,0,1]=4 8353 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)N 7a_200000031908_100102525003 [0,2,0,0,0,0|1,0,1]=4 8354 B18R0.176 CCC#CCCCCCCOCCCCCC(=O)N 34a_100000123541_200000036426 [0,2,0,0,0,0|1,0,1]=4 8355 B18R0.176 CCC#CCCCCCCOCCCCCC(=O)N 7a_100000123541_200000036426 [0,2,0,0,0,0|1,0,1]=4 8356 B18R0.176 CCC#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_200000036426 [0,2,0,0,0,0|0,0,2]=4 8357 B18R0.176 CCC#CCCCCCCSCCCCCC(=O)N 62a_100009817443_200000036426 [0,2,0,0,0,0|1,0,1]=4 8358 B18R0.176 CCC#CCCCCCCSCCCCCC(=O)N 62a_200000036426_100009817443 [0,2,0,0,0,0|1,0,1]=4 8359 B18R0.176 CCC#CCOCCCCCCCCCCC(=O)N 34a_100000032950_200010167045 [0,2,0,0,0,0|1,0,1]=4 8360 B18R0.176 CCC#CCSCCCCCCCCCCC(=O)N 62a_100009813939_200010167045 [0,2,0,0,0,0|1,0,1]=4 8361 B18R0.176 CCC#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100009813939 [0,2,0,0,0,0|1,0,1]=4 8362 B18R0.176 CCCC/C=C/CCCCOCCCCCC(=O)N 34a_200020645093_100009817443 [0,2,0,0,0,0|1,0,1]=4 8363 B18R0.176 CCCC/C=C/CCCCOCCCCCC(=O)N 7a_200020645093_100009817443 [0,2,0,0,0,0|1,0,1]=4 8364 B18R0.176 CCCC/C=C\CCCCCCCCOCC(=O)N 34a_100020587526_100000187820 [0,2,0,0,0,0|1,0,1]=4 8365 B18R0.176 CCCC/C=C\CCCCCCCCOCC(=O)N 7a_100020587526_100000187820 [0,2,0,0,0,0|1,0,1]=4 8366 B18R0.176 CCCC/C=C\CCCCCCCCOCC(=O)[O-] 34a_100020587526_100020667443 [0,2,0,0,0,0|0,0,2]=4 8367 B18R0.176 CCCCC#CCCCCCCNCCCC(=O)N 34a_100000739312_200000043322 [0,2,0,0,0,0|1,0,1]=4 8368 B18R0.176 CCCCC#CCCCCCCOCCCC(=O)C 34a_100000759063_200000043322 [0,2,0,0,0,0|1,0,1]=4 8369 B18R0.176 CCCCC#CCCCCCCOCCCC(=O)C 7a_100000759063_200000043322 [0,2,0,0,0,0|1,0,1]=4 8370 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000043322 [0,2,0,0,0,0|1,0,1]=4 8371 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_200000043322_100011215641 [0,2,0,0,0,0|1,0,1]=4 8372 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)N 62a_100102525003_200000043322 [0,2,0,0,0,0|1,0,1]=4 8373 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)N 62a_200000043322_100102525003 [0,2,0,0,0,0|1,0,1]=4 8374 B18R0.176 CCCCC#CCCCCOCCCCCC(=O)N 34a_200000066234_100009817443 [0,2,0,0,0,0|1,0,1]=4 8375 B18R0.176 CCCCC#CCCCCOCCCCCC(=O)N 7a_200000066234_100009817443 [0,2,0,0,0,0|1,0,1]=4 8376 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 34a_100020655193_100009817443 [0,2,0,0,0,0|1,0,1]=4 8377 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 7a_100020655193_100009817443 [0,2,0,0,0,0|1,0,1]=4 8378 B18R0.176 CCCCCCC#CCCOCCCCCC(=O)N 34a_200000033163_100009817443 [0,2,0,0,0,0|1,0,1]=4 8379 B18R0.176 CCCCCCC#CCCOCCCCCC(=O)N 7a_200000033163_100009817443 [0,2,0,0,0,0|1,0,1]=4 8380 B18R0.176 CCCCCCCC#CCOCCCCCC(=O)N 34a_200000061759_100009817443 [0,2,0,0,0,0|1,0,1]=4 8381 B18R0.176 CCCCCCCC#CCOCCCCCC(=O)N 7a_200000061759_100009817443 [0,2,0,0,0,0|1,0,1]=4 8382 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 34a_200020667288_100009817362 [0,2,0,0,0,0|1,0,1]=4 8383 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 7a_200020667288_100000735457 [0,2,0,0,0,0|1,0,1]=4 8384 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 34a_100015232335_100000685027 [0,2,0,0,0,0|1,0,1]=4 8385 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 7a_100015232335_100011215641 [0,2,0,0,0,0|1,0,1]=4 8386 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)N 34a_100015232335_100102525003 [0,2,0,0,0,0|1,0,1]=4 8387 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)N 7a_100015232335_100102525003 [0,2,0,0,0,0|1,0,1]=4 8388 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)C 7a_200025761149_100000053229 [0,2,0,0,0,0|1,0,1]=4 8389 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)N 34a_200025761149_100000731001 [0,2,0,0,0,0|1,0,1]=4 8390 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)N 7a_200025761149_100000744528 [0,2,0,0,0,0|1,0,1]=4 8391 B18R0.176 CCCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_200011216147 [0,2,0,0,0,0|1,0,1]=4 8392 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [0,2,0,0,0,0|1,0,0]=3 8393 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [0,2,0,0,0,0|1,0,0]=3 8394 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [0,2,0,0,0,0|1,0,0]=3 8395 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [0,2,0,0,0,0|1,0,0]=3 8396 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 2230a_100011215765_100000761012 [0,2,0,0,0,0|2,0,0]=4 8397 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_200011215488 [0,2,0,0,0,0|2,0,0]=4 8398 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210684 [0,2,0,0,0,0|2,0,0]=4 8399 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100011215765_100000761012 [0,2,0,0,0,0|2,0,0]=4 8400 B18R0.176 CCCCCCCCCCCCCNCOC(=O)C 34a_100011215765_100009813279 [0,2,0,0,0,0|1,0,0]=3 8401 B18R0.176 CCCCCCCCCCCCCOCOC(=O)C 34a_100000185773_100009813279 [0,2,0,0,0,0|1,0,0]=3 8402 B18R0.176 CCCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011934334 [0,2,0,0,0,0|1,0,0]=3 8403 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 2230a_100000210451_100011217483 [0,2,0,0,0,0|2,0,0]=4 8404 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 34a_100000210451_100011217483 [0,2,0,0,0,0|2,0,0]=4 8405 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 2230a_100000210451_200009816681 [0,2,0,0,0,0|2,0,0]=4 8406 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 34a_100000210451_200009816681 [0,2,0,0,0,0|2,0,0]=4 8407 B18R0.176 CCCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215052 [0,2,0,0,0,0|1,0,0]=3 8408 B18R0.176 CCCCCCCCCCCCNCCNC(=O)C 2230a_100000210451_100000189650 [0,2,0,0,0,0|1,0,0]=3 8409 B18R0.176 CCCCCCCCCCCCNCCNC(=O)N 2230a_100000210451_200000034859 [0,2,0,0,0,0|1,0,0]=3 8410 B18R0.176 CCCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000759014 [0,2,0,0,0,0|1,0,0]=3 8411 B18R0.176 CCCCCCCCCCCCNCCOC(=O)C 34a_100000210451_100009814007 [0,2,0,0,0,0|1,0,0]=3 8412 B18R0.176 CCCCCCCCCCCCNCCOC(=O)N 34a_100000210451_200011214921 [0,2,0,0,0,0|1,0,0]=3 8413 B18R0.176 CCCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000759014 [0,2,0,0,0,0|1,0,0]=3 8414 B18R0.176 CCCCCCCCCCCCOCCNC(=O)C 7a_100000210810_100000189650 [0,2,0,0,0,0|1,0,0]=3 8415 B18R0.176 CCCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000759014 [0,2,0,0,0,0|1,0,0]=3 8416 B18R0.176 CCCCCCCCCCCCOCCNC(=O)N 7a_100000210810_200000034859 [0,2,0,0,0,0|1,0,0]=3 8417 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 34a_100000210810_100009814007 [0,2,0,0,0,0|1,0,0]=3 8418 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 7a_100000210810_100009814007 [0,2,0,0,0,0|1,0,0]=3 8419 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 34a_100000210810_200011214921 [0,2,0,0,0,0|1,0,0]=3 8420 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 7a_100000210810_200011214921 [0,2,0,0,0,0|1,0,0]=3 8421 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000759014 [0,2,0,0,0,0|1,0,0]=3 8422 B18R0.176 CCCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000759014 [0,2,0,0,0,0|1,0,0]=3 8423 B18R0.176 CCCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000759014 [0,2,0,0,0,0|1,0,0]=3 8424 B18R0.176 CCCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000759014 [0,2,0,0,0,0|1,0,0]=3 8425 B18R0.176 CCCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000759014 [0,2,0,0,0,0|1,0,0]=3 8426 B18R0.176 CCCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011215454 [0,2,0,0,0,0|1,0,0]=3 8427 B18R0.176 CCCCCCCCCCCNCCCOC(=O)C 34a_200011215754_100000042594 [0,2,0,0,0,0|1,0,0]=3 8428 B18R0.176 CCCCCCCCCCCNCCCOC(=S)C 2230a_200011215754_200135323944 [0,2,0,0,0,0|1,1,0]=4 8429 B18R0.176 CCCCCCCCCCCNCCCOC(=S)C 34a_200011215754_200135323944 [0,2,0,0,0,0|1,1,0]=4 8430 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 2230a_200011215754_100000038929 [0,2,0,0,0,0|1,0,0]=3 8431 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 34a_200011215754_100000038929 [0,2,0,0,0,0|1,0,0]=3 8432 B18R0.176 CCCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011215454 [0,2,0,0,0,0|1,0,0]=3 8433 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 34a_100000210809_100000042594 [0,2,0,0,0,0|1,0,0]=3 8434 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 7a_100000210809_100000042594 [0,2,0,0,0,0|1,0,0]=3 8435 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 34a_100000210809_200135323944 [0,2,0,0,0,0|1,1,0]=4 8436 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 7a_100000210809_200135323944 [0,2,0,0,0,0|1,1,0]=4 8437 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 34a_100000210809_100000038929 [0,2,0,0,0,0|1,0,0]=3 8438 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 7a_100000210809_100000038929 [0,2,0,0,0,0|1,0,0]=3 8439 B18R0.176 CCCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100011215454 [0,2,0,0,0,0|1,0,0]=3 8440 B18R0.176 CCCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100011215454 [0,2,0,0,0,0|1,0,0]=3 8441 B18R0.176 CCCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210320 [0,2,0,0,0,0|1,0,0]=3 8442 B18R0.176 CCCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210320 [0,2,0,0,0,0|1,0,0]=3 8443 B18R0.176 CCCCCCCCCCNCCCCOC(=O)C 34a_100000684558_100000033659 [0,2,0,0,0,0|1,0,0]=3 8444 B18R0.176 CCCCCCCCCCNCCCCSC(=O)C 2230a_100000684558_200010402107 [0,2,0,0,0,0|1,0,0]=3 8445 B18R0.176 CCCCCCCCCCNCCCCSC(=O)C 34a_100000684558_200010402107 [0,2,0,0,0,0|1,0,0]=3 8446 B18R0.176 CCCCCCCCCCNCOCCOC(=O)C 34a_100000684558_100000076355 [0,2,0,0,0,0|2,0,0]=4 8447 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210320 [0,2,0,0,0,0|1,0,0]=3 8448 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000210711_100000033659 [0,2,0,0,0,0|1,0,0]=3 8449 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210320 [0,2,0,0,0,0|1,0,0]=3 8450 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000210711_100000033659 [0,2,0,0,0,0|1,0,0]=3 8451 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 34a_100000210711_200010402107 [0,2,0,0,0,0|1,0,0]=3 8452 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 7a_100000210711_200010402107 [0,2,0,0,0,0|1,0,0]=3 8453 B18R0.176 CCCCCCCCCCOCOCCOC(=O)C 34a_100000210711_100000076355 [0,2,0,0,0,0|2,0,0]=4 8454 B18R0.176 CCCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210320 [0,2,0,0,0,0|1,0,0]=3 8455 B18R0.176 CCCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210320 [0,2,0,0,0,0|1,0,0]=3 8456 B18R0.176 CCCCCCCCCCSCCOCOC(=O)C 34a_100011628728_100009813279 [0,2,0,0,0,0|2,0,0]=4 8457 B18R0.176 CCCCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210320 [0,2,0,0,0,0|2,0,0]=4 8458 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011214924 [0,2,0,0,0,0|1,0,0]=3 8459 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011214924 [0,2,0,0,0,0|1,0,0]=3 8460 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 2230a_100000212291_100009813381 [0,2,0,0,0,0|1,0,0]=3 8461 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 34a_100000212291_100000033007 [0,2,0,0,0,0|1,0,0]=3 8462 B18R0.176 CCCCCCCCCNCCOCCOC(=O)C 2230a_100000212291_200000083610 [0,2,0,0,0,0|2,0,0]=4 8463 B18R0.176 CCCCCCCCCNCCOCCOC(=O)C 34a_100000212291_200000083610 [0,2,0,0,0,0|2,0,0]=4 8464 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 34a_100000210712_100000033007 [0,2,0,0,0,0|1,0,0]=3 8465 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 7a_100000210712_100000033007 [0,2,0,0,0,0|1,0,0]=3 8466 B18R0.176 CCCCCCCCCOCCOCCOC(=O)C 34a_100000210712_200000083610 [0,2,0,0,0,0|2,0,0]=4 8467 B18R0.176 CCCCCCCCCOCCOCCOC(=O)C 7a_100000210712_200000083610 [0,2,0,0,0,0|2,0,0]=4 8468 B18R0.176 CCCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210670 [0,2,0,0,0,0|1,0,0]=3 8469 B18R0.176 CCCCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210670 [0,2,0,0,0,0|2,0,0]=4 8470 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210759 [0,2,0,0,0,0|1,0,0]=3 8471 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210759 [0,2,0,0,0,0|1,0,0]=3 8472 B18R0.176 CCCCCCOCCOCCCCCOC(=O)C 34a_100000691444_100000033007 [0,2,0,0,0,0|2,0,0]=4 8473 B18R0.176 CCCCCCOCCOCCCCCOC(=O)C 7a_100000691444_100000033007 [0,2,0,0,0,0|2,0,0]=4 8474 B18R0.176 CCCCNCCCCOCCCCCOC(=O)C 34a_200011216965_100000033007 [0,2,0,0,0,0|2,0,0]=4 8475 B18R0.176 CCCCOCCCCOCCCCCOC(=O)C 34a_200000760531_100000033007 [0,2,0,0,0,0|2,0,0]=4 8476 B18R0.176 CCCCOCCCCOCCCCCOC(=O)C 7a_200000760531_100000033007 [0,2,0,0,0,0|2,0,0]=4 8477 B18R0.176 CCCOCCCCCCCCCCCSC(=O)C 34a_100000210258_100010140907 [0,2,0,0,0,0|1,0,0]=3 8478 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100000210303_100010140907 [0,2,0,0,0,0|1,0,0]=3 8479 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210303 [0,2,0,0,0,0|1,0,0]=3 8480 B18R0.176 CCOCCCCCCCCCOCCNC(=O)C 7a_100009875440_100000189650 [0,2,0,0,0,0|2,0,0]=4 8481 B18R0.176 CCOCCCCCCCCCOCCNC(=O)N 7a_100009875440_200000034859 [0,2,0,0,0,0|2,0,0]=4 8482 B18R0.176 CCOCCCCCCCCCOCCOC(=O)C 34a_100009875440_100009814007 [0,2,0,0,0,0|2,0,0]=4 8483 B18R0.176 CCOCCCCCCCCCOCCOC(=O)C 7a_100009875440_100009814007 [0,2,0,0,0,0|2,0,0]=4 8484 B18R0.176 CCOCCCCCCCCCOCCOC(=O)N 34a_100009875440_200011214921 [0,2,0,0,0,0|2,0,0]=4 8485 B18R0.176 CCOCCCCCCCCCOCCOC(=O)N 7a_100009875440_200011214921 [0,2,0,0,0,0|2,0,0]=4 8486 B18R0.176 COCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100011998445 [0,2,0,0,0,0|2,0,0]=4 8487 B18R0.176 COCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100011998445 [0,2,0,0,0,0|2,0,0]=4 8488 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100000766300_100010140907 [0,2,0,0,0,0|2,0,0]=4 8489 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000766300 [0,2,0,0,0,0|2,0,0]=4 8490 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100011218213 [0,2,0,0,0,0|2,0,0]=4 8491 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100011218213_100010140907 [0,2,0,0,0,0|2,0,0]=4 8492 B18R0.176 N#CCCCSCCCCCCCCCCC(=O)N 62a_100000687738_200010167045 [0,2,0,0,0,0|1,0,1]=4 8493 B18R0.176 N#CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000687738 [0,2,0,0,0,0|1,0,1]=4 8494 B18R0.176 NC(=O)NCCNCCCCCCCCCCCO 34a_100020590234_100009812471 [0,2,0,0,0,0|2,0,0]=4 8495 B18R0.176 NC(=O)NCCOCCCCCCCCCCCBr 7a_100009812471_200000034859 [0,2,0,0,0,0|2,0,0]=4 8496 B18R0.176 NC(=O)NCCOCCCCCCCCCCCO 34a_100000181757_100009812471 [0,2,0,0,0,0|2,0,0]=4 8497 B18R0.176 NC(=O)NCCSCCCCCCCCCCCO 62a_100009812471_200000034859 [0,2,0,0,0,0|2,0,0]=4 8498 B18R0.176 NC(=O)OCCOCCCCCCCCCCCBr 34a_100009812471_200011214921 [0,2,0,0,0,0|2,0,0]=4 8499 B18R0.176 NC(=O)OCCOCCCCCCCCCCCBr 7a_100009812471_200011214921 [0,2,0,0,0,0|2,0,0]=4 8500 B18R0.176 NC(=O)OCCOCCCCCCCCCCCO 7a_100000766696_100009812471 [0,2,0,0,0,0|2,0,0]=4 8501 B18R0.176 NC(=O)OCCSCCCCCCCCCCCO 62a_100009812471_200011214921 [0,2,0,0,0,0|2,0,0]=4 8502 B18R0.182 CCCCCCCCCCCCCCNS(=O)(=O)C 40a_100011217771_100000738038 [0,2,0,0,0,0|1,0,1]=4 8503 B18R0.182 CCCCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210684 [0,2,0,0,0,0|1,0,1]=4 8504 B18R0.182 CCCCCCCCCCCCCNCC(C)(C)O 270004a_100000751335_200011215488 [0,2,0,0,0,0|1,0,1]=4 8505 B18R0.182 CCCCCCCCCCCCCNCC(C)(C)O 34a_100011215765_100000764493 [0,2,0,0,0,0|1,0,1]=4 8506 B18R0.182 CCCCCCCCCCCCCNCS(=O)(=O)[O-] 34a_100011215765_100009817235 [0,2,0,0,0,0|1,0,1]=4 8507 B18R0.182 CCCCCCCCCCCCCOCC(C)(C)O 34a_100000185773_100000764493 [0,2,0,0,0,0|1,0,1]=4 8508 B18R0.182 CCCCCCCCCCCCCOCC(C)(C)O 7a_100000185773_100000764493 [0,2,0,0,0,0|1,0,1]=4 8509 B18R0.182 CCCCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000185773_100009817235 [0,2,0,0,0,0|1,0,1]=4 8510 B18R0.182 CCCCCCCCCCCCCSCC(C)(C)O 62a_100000764493_100011934334 [0,2,0,0,0,0|1,0,1]=4 8511 B18R0.182 CCCCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100011934334 [0,2,0,0,0,0|1,0,1]=4 8512 B18R0.182 CCCCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011934334 [0,2,0,0,0,0|1,0,1]=4 8513 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)O 2230a_100000210451_100000702414 [0,2,0,0,0,0|1,0,1]=4 8514 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)O 270004a_100000707701_100011218549 [0,2,0,0,0,0|1,0,1]=4 8515 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)O 34a_100000210451_100000702414 [0,2,0,0,0,0|1,0,1]=4 8516 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000210451_100000731031 [0,2,0,0,0,0|1,0,1]=4 8517 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215052 [0,2,0,0,0,0|1,0,1]=4 8518 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 270004a_100000740961_100011218549 [0,2,0,0,0,0|1,0,1]=4 8519 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 34a_100000210451_100000731031 [0,2,0,0,0,0|1,0,1]=4 8520 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000759014 [0,2,0,0,0,0|1,0,1]=4 8521 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215052 [0,2,0,0,0,0|1,0,1]=4 8522 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 270004a_100000738205_100011218549 [0,2,0,0,0,0|1,0,1]=4 8523 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000759014 [0,2,0,0,0,0|1,0,1]=4 8524 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000210451_100000737633 [0,2,0,0,0,0|1,0,1]=4 8525 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000210451_100000762736 [0,2,0,0,0,0|1,0,1]=4 8526 B18R0.182 CCCCCCCCCCCCOCCC(C)(C)O 34a_100000210810_100000702414 [0,2,0,0,0,0|1,0,1]=4 8527 B18R0.182 CCCCCCCCCCCCOCCC(C)(C)O 7a_100000210810_100000702414 [0,2,0,0,0,0|1,0,1]=4 8528 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210810_100000731031 [0,2,0,0,0,0|1,0,1]=4 8529 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000759014 [0,2,0,0,0,0|1,0,1]=4 8530 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210810_100000230027 [0,2,0,0,0,0|1,0,1]=4 8531 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000759014 [0,2,0,0,0,0|1,0,1]=4 8532 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000759014 [0,2,0,0,0,0|1,0,1]=4 8533 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210810_100000762736 [0,2,0,0,0,0|1,0,1]=4 8534 B18R0.182 CCCCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100000759014 [0,2,0,0,0,0|1,0,1]=4 8535 B18R0.182 CCCCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000759014 [0,2,0,0,0,0|1,0,1]=4 8536 B18R0.182 CCCCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000759014 [0,2,0,0,0,0|1,0,1]=4 8537 B18R0.182 CCCCCCCCCCCNCCCC(C)(C)O 2230a_200011215754_100009888830 [0,2,0,0,0,0|1,0,1]=4 8538 B18R0.182 CCCCCCCCCCCNCCCC(C)(C)O 34a_200011215754_100009888830 [0,2,0,0,0,0|1,0,1]=4 8539 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011215454 [0,2,0,0,0,0|1,0,1]=4 8540 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 2230a_200011215754_100000754308 [0,2,0,0,0,0|1,0,1]=4 8541 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100011215454 [0,2,0,0,0,0|1,0,1]=4 8542 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 34a_200011215754_100000754308 [0,2,0,0,0,0|1,0,1]=4 8543 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)N 2230a_200011215754_100000750626 [0,2,0,0,0,0|1,0,1]=4 8544 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)N 34a_200011215754_100000750626 [0,2,0,0,0,0|1,0,1]=4 8545 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)[O-] 34a_200011215754_100009813499 [0,2,0,0,0,0|1,0,1]=4 8546 B18R0.182 CCCCCCCCCCCOCCCC(C)(C)O 34a_100000210809_100009888830 [0,2,0,0,0,0|1,0,1]=4 8547 B18R0.182 CCCCCCCCCCCOCCCC(C)(C)O 7a_100000210809_100009888830 [0,2,0,0,0,0|1,0,1]=4 8548 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 34a_100000210809_100000754308 [0,2,0,0,0,0|1,0,1]=4 8549 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100011215454 [0,2,0,0,0,0|1,0,1]=4 8550 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 7a_100000210809_100000754308 [0,2,0,0,0,0|1,0,1]=4 8551 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100011215454 [0,2,0,0,0,0|1,0,1]=4 8552 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)N 34a_100000210809_100000750626 [0,2,0,0,0,0|1,0,1]=4 8553 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)N 7a_100000210809_100000750626 [0,2,0,0,0,0|1,0,1]=4 8554 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210809_100009813499 [0,2,0,0,0,0|1,0,1]=4 8555 B18R0.182 CCCCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100011215454 [0,2,0,0,0,0|1,0,1]=4 8556 B18R0.182 CCCCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100011215454 [0,2,0,0,0,0|1,0,1]=4 8557 B18R0.182 CCCCCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100011215454 [0,2,0,0,0,0|1,0,1]=4 8558 B18R0.182 CCCCCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100011215454 [0,2,0,0,0,0|1,0,1]=4 8559 B18R0.182 CCCCCCCCCNCCCCCC(C)(C)O 2230a_100000212291_100010402123 [0,2,0,0,0,0|1,0,1]=4 8560 B18R0.182 CCCCCCCCCNCCCCCC(C)(C)O 34a_100000212291_100010402123 [0,2,0,0,0,0|1,0,1]=4 8561 B18R0.182 CCCCCCCCCOCCCCCC(C)(C)O 34a_100000210712_100010402123 [0,2,0,0,0,0|1,0,1]=4 8562 B18R0.182 CCCCCCCCCOCCCCCC(C)(C)O 7a_100000210712_100010402123 [0,2,0,0,0,0|1,0,1]=4 8563 B18R0.182 CCCCCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210670 [0,2,0,0,0,0|1,0,1]=4 8564 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 2230a_100000225649_100000210684 [0,2,0,0,0,0|2,0,0]=4 8565 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 269982a_100000225649_100000210684 [0,2,0,0,0,0|2,0,0]=4 8566 B18R0.220 C=C(C)CN(C)CCCCCCCCCCCCC 270004a_100000225649_200011215488 [0,2,0,0,0,0|2,0,0]=4 8567 B18R0.220 C=CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_102130925996 [0,2,0,0,0,0|0,0,2]=4 8568 B18R0.220 C=CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009814027 [0,2,0,0,0,0|0,0,2]=4 8569 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100000756256_100000187820 [0,2,0,0,0,0|1,0,0]=3 8570 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210684 [0,2,0,0,0,0|1,0,0]=3 8571 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000756256_100020667443 [0,2,0,0,0,0|0,0,1]=3 8572 B18R0.220 CCCCCCCCCCCCCC(=O)CC(C)O 1458a_100000756256_100011218427 [0,2,0,0,0,0|1,0,1]=4 8573 B18R0.220 CCCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210684 [0,2,0,0,0,0|1,0,1]=4 8574 B18R0.220 CCCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000756256_100000761209 [0,2,0,0,0,0|1,0,1]=4 8575 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210684 [0,2,0,0,0,0|1,0,0]=3 8576 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_200011215488 [0,2,0,0,0,0|1,0,0]=3 8577 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [0,2,0,0,0,0|0,0,0]=2 8578 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210684 [0,2,0,0,0,0|1,0,1]=4 8579 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210684 [0,2,0,0,0,0|1,0,1]=4 8580 B18R0.220 CCCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_200011215488 [0,2,0,0,0,0|1,0,1]=4 8581 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)N 240690a_100000210451_100134613110 [0,2,0,0,0,0|1,0,1]=4 8582 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)N 527a_100000210451_100134613110 [0,2,0,0,0,0|1,0,1]=4 8583 B18R0.220 CCCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000759014 [0,2,0,0,0,0|2,0,0]=4 8584 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [0,2,0,0,0,0|0,0,0]=2 8585 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813331 [0,2,0,0,0,0|2,0,0]=4 8586 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813331 [0,2,0,0,0,0|1,0,0]=3 8587 B18R0.220 CN(CCCCCCOCCCCCO)CC(=O)O 269956a_100000746989_200132310570 [0,2,0,0,0,0|2,0,0]=4 8588 B18R0.220 NC(=O)CC(=O)CCCCCCCCCCCCO 1458a_100134613110_100009813331 [0,2,0,0,0,0|1,0,1]=4 8589 B18R0.220 O=C(O)CC(O)CNCCCCCCCCCCO 269956a_100011218706_100009813290 [0,2,0,0,0,0|1,0,0]=3 8590 B18R0.974 C=C(C)CCOCCCCCCCCCCC(=O)N 34a_100000764851_200010167045 [0,2,0,0,0,0|1,0,1]=4 8591 B18R0.974 C=C(C)CCSCCCCCCCCCCC(=O)N 62a_100000730704_200010167045 [0,2,0,0,0,0|1,0,1]=4 8592 B18R0.974 C=C(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000730704 [0,2,0,0,0,0|1,0,1]=4 8593 B18R0.974 CC(=O)CCOCCCCCCCCCCC(=O)N 34a_100000759926_200010167045 [0,2,0,0,0,0|1,0,1]=4 8594 B18R0.974 CC(=O)CCOCCCCCCCCCCC(=O)N 7a_100000759926_200010167045 [0,2,0,0,0,0|1,0,1]=4 8595 B18R0.974 CC(=O)CCSCCCCCCCCCCC(=O)N 62a_100000053229_200010167045 [0,2,0,0,0,0|1,0,1]=4 8596 B18R0.974 CC(=O)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000053229 [0,2,0,0,0,0|1,0,1]=4 8597 B18R0.974 CC(=O)NCCCCCCNCCCCCC(C)C 2230a_200011996284_100000210682 [0,2,0,0,0,0|2,0,0]=4 8598 B18R0.974 CC(=O)NCCCCCCNCCCCCC(C)C 34a_200011996284_100000210682 [0,2,0,0,0,0|2,0,0]=4 8599 B18R0.974 CC(=O)OCCCCCNCCCCCCC(C)C 2230a_100000211014_100009813381 [0,2,0,0,0,0|2,0,0]=4 8600 B18R0.974 CC(=O)OCCCCCNCCCCCCC(C)C 34a_100000211014_100000033007 [0,2,0,0,0,0|2,0,0]=4 8601 B18R0.974 CC(=O)OCCCCOCCCCCCCC(C)C 34a_200000210741_100000033659 [0,2,0,0,0,0|2,0,0]=4 8602 B18R0.974 CC(=O)OCCCCOCCCCCCCC(C)C 7a_200000210741_100000033659 [0,2,0,0,0,0|2,0,0]=4 8603 B18R0.974 CC(=O)SCCCCCCCCCCCNC(C)C 2230a_100138425928_100010140907 [0,2,0,0,0,0|2,0,0]=4 8604 B18R0.974 CC(=O)SCCCCCCCCCCCNC(C)C 34a_100138425928_100010140907 [0,2,0,0,0,0|2,0,0]=4 8605 B18R0.974 CC(=O)SCCCCCCCCCCCOC(C)C 34a_100000212225_100010140907 [0,2,0,0,0,0|2,0,0]=4 8606 B18R0.974 CC(=O)SCCCCCCCCCCCSC(C)C 62a_100000210206_100010140907 [0,2,0,0,0,0|2,0,0]=4 8607 B18R0.974 CC(=O)SCCCCCCCCCCCSC(C)C 62a_100010140907_100000210206 [0,2,0,0,0,0|2,0,0]=4 8608 B18R0.974 CC(=O)SCCCCOCCCCCCCC(C)C 34a_200000210741_200010402107 [0,2,0,0,0,0|2,0,0]=4 8609 B18R0.974 CC(=O)SCCCCOCCCCCCCC(C)C 7a_200000210741_200010402107 [0,2,0,0,0,0|2,0,0]=4 8610 B18R0.974 CC(Br)CCOCCCCCCCCCCC(=O)N 34a_100009893172_200010167045 [0,2,0,0,0,0|1,0,0]=3 8611 B18R0.974 CC(C)CCCCCCCOCCCCCB(O)O 34a_200000210741_200009817188 [0,2,0,0,0,0|1,0,1]=4 8612 B18R0.974 CC(C)CCCCCCCOCCCCCB(O)O 7a_200000210741_200009817188 [0,2,0,0,0,0|1,0,1]=4 8613 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 34a_200000210741_100009817443 [0,2,0,0,0,0|1,0,0]=3 8614 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 7a_200000210741_100009817443 [0,2,0,0,0,0|1,0,0]=3 8615 B18R0.974 CC(C)CCCCCCNCCCCCCB(O)O 2230a_100000211014_100009817187 [0,2,0,0,0,0|1,0,1]=4 8616 B18R0.974 CC(C)CCCCCCNCCCCCCB(O)O 34a_100000211014_100009817187 [0,2,0,0,0,0|1,0,1]=4 8617 B18R0.974 CC(C)CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210682 [0,2,0,0,0,0|2,0,0]=4 8618 B18R0.974 CC(C)CCOCCCCCCCCCCC(=O)N 34a_100000210254_200010167045 [0,2,0,0,0,0|1,0,0]=3 8619 B18R0.974 CC(C)CCOCCCCCCCCCCC(=O)N 7a_100000210254_200010167045 [0,2,0,0,0,0|1,0,0]=3 8620 B18R0.974 CC(C)CCSCCCCCCCCCCC(=O)N 62a_100000210312_200010167045 [0,2,0,0,0,0|1,0,0]=3 8621 B18R0.974 CC(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210312 [0,2,0,0,0,0|1,0,0]=3 8622 B18R0.974 CC(C)OCSCCCCCCCCCCC(=O)N 62a_100000709892_200010167045 [0,2,0,0,0,0|2,0,0]=4 8623 B18R0.974 CC(C)OCSCCCCCCCCCCC(=O)N 62a_200010167045_100000709892 [0,2,0,0,0,0|2,0,0]=4 8624 B18R0.974 CC(O)CCNCCCCCCCCCCC(=O)N 2230a_200000755665_200010167045 [0,2,0,0,0,0|1,0,0]=3 8625 B18R0.974 CC(O)CCSCCCCCCCCCCC(=O)N 62a_100012276601_200010167045 [0,2,0,0,0,0|1,0,0]=3 8626 B18R0.974 CC(O)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100012276601 [0,2,0,0,0,0|1,0,0]=3 8627 B18R0.974 CN(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000755713 [0,2,0,0,0,0|2,0,0]=4 8628 B18R0.974 C[C@@H](N)CCOCCCCCCCCCCC(=O)N 34a_100000706166_200010167045 [0,2,0,0,0,0|1,0,0]=3 8629 B18R0.974 NC(=O)CCCCCCCCCCOCCC(F)F 34a_100103093639_200010167045 [0,2,0,0,0,0|2,0,0]=4 8630 B18R0.7250 CCCCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011218727 [0,2,0,0,0,0|2,0,0]=4 8631 B18R0.7250 CCCCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210596 [0,2,0,0,0,0|2,0,0]=4 8632 B18R0.7250 CCCCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011218727 [0,2,0,0,0,0|2,0,0]=4 8633 B18R0.7250 CCCCCCCC(C)OCCCCCCB(O)O 34a_200011215852_100009817187 [0,2,0,0,0,0|1,0,1]=4 8634 B18R0.7250 CCCCCCCC(C)OCCCCCCB(O)O 7a_200011215852_100009817187 [0,2,0,0,0,0|1,0,1]=4 8635 B18R0.7250 CCCCCCCC(C)OCCCCCOC(=O)C 34a_200011215852_100000033007 [0,2,0,0,0,0|2,0,0]=4 8636 B18R0.7250 CCCCCCCC(C)OCCCCCOC(=O)C 7a_200011215852_100000033007 [0,2,0,0,0,0|2,0,0]=4 8637 B18R0.7250 CCCCCCCC(C)SCCCCCCB(O)O 62a_100009817187_200011218727 [0,2,0,0,0,0|1,0,1]=4 8638 B18R0.7250 CCCCCCCC(C)SCCCCCCB(O)O 62a_200011218727_100009817187 [0,2,0,0,0,0|1,0,1]=4 8639 B18R0.7250 CCCCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011218727 [0,2,0,0,0,0|2,0,0]=4 8640 B18R0.7250 CCCCCCCC(C)SCCCCCOC(=O)C 62a_200011218727_100000033007 [0,2,0,0,0,0|2,0,0]=4 8641 B18R0.11628 CCCCCCCCCC(=O)CCCCCB(O)O 1458a_100000210558_200009817188 [0,2,0,0,0,0|1,0,1]=4 8642 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210558_100009817443 [0,2,0,0,0,0|1,0,0]=3 8643 B18R0.11628 CCCCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210670 [0,2,0,0,0,0|1,0,1]=4 8644 B18R0.11628 CCCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210558_100000033659 [0,2,0,0,0,0|1,0,1]=4 8645 B18R0.11628 CCCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210558_200010402107 [0,2,0,0,0,0|1,0,1]=4 8646 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 8647 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 8648 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 8649 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 8650 B18R0.11628 CCCCCCCCCC(C)CNCCCS(=O)C 270004a_200000753449_200011218516 [0,2,0,0,0,0|2,0,0]=4 8651 B18R0.11628 CCCCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011215753 [0,2,0,0,0,0|1,0,0]=3 8652 B18R0.11628 CCCCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100011215753 [0,2,0,0,0,0|2,0,0]=4 8653 B18R0.11628 CCCCCCCCCC(C)OCCCCB(O)O 34a_100011218016_200009817182 [0,2,0,0,0,0|1,0,1]=4 8654 B18R0.11628 CCCCCCCCCC(C)OCCCCB(O)O 7a_100011218016_200009817182 [0,2,0,0,0,0|1,0,1]=4 8655 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 34a_100011218016_100009817362 [0,2,0,0,0,0|1,0,0]=3 8656 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 7a_100011218016_100000735457 [0,2,0,0,0,0|1,0,0]=3 8657 B18R0.11628 CCCCCCCCCC(C)OCCCOC(=O)C 34a_100011218016_100000042594 [0,2,0,0,0,0|2,0,0]=4 8658 B18R0.11628 CCCCCCCCCC(C)OCCCOC(=O)C 7a_100011218016_100000042594 [0,2,0,0,0,0|2,0,0]=4 8659 B18R0.11628 CCCCCCCCCC(C)OCCCSC(=O)C 34a_100011218016_100000038929 [0,2,0,0,0,0|2,0,0]=4 8660 B18R0.11628 CCCCCCCCCC(C)OCCCSC(=O)C 7a_100011218016_100000038929 [0,2,0,0,0,0|2,0,0]=4 8661 B18R0.11628 CCCCCCCCCC(C)OCCOCC(=O)N 34a_100011218016_100000076697 [0,2,0,0,0,0|2,0,0]=4 8662 B18R0.11628 CCCCCCCCCC(C)OCCOCC(=O)N 7a_100011218016_100000076697 [0,2,0,0,0,0|2,0,0]=4 8663 B18R0.11628 CCCCCCCCCN(C)CCCCCB(O)O 2230a_100000232482_200009817188 [0,2,0,0,0,0|1,0,1]=4 8664 B18R0.11628 CCCCCCCCCN(C)CCCCCB(O)O 269982a_100000232482_200009817188 [0,2,0,0,0,0|1,0,1]=4 8665 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 2230a_100000232482_100009817443 [0,2,0,0,0,0|1,0,0]=3 8666 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 269982a_100000232482_100009817443 [0,2,0,0,0,0|1,0,0]=3 8667 B18R0.11628 CCCCCCCCCN(C)CCCCOC(=O)C 269982a_100000232482_100000033659 [0,2,0,0,0,0|2,0,0]=4 8668 B18R0.11628 CCCCCCCCCN(C)CCCCSC(=O)C 2230a_100000232482_200010402107 [0,2,0,0,0,0|2,0,0]=4 8669 B18R0.11628 CCCCCCCCCN(C)CCCCSC(=O)C 269982a_100000232482_200010402107 [0,2,0,0,0,0|2,0,0]=4 8670 B18R0.17430 CC(=O)CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000735457 [0,2,0,0,0,0|1,0,1]=4 8671 B18R0.17430 CCCCCCCCCCC(=O)CCCCB(O)O 1458a_100000210375_200009817182 [0,2,0,0,0,0|1,0,1]=4 8672 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210375_100000735457 [0,2,0,0,0,0|1,0,0]=3 8673 B18R0.17430 CCCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210319 [0,2,0,0,0,0|1,0,1]=4 8674 B18R0.17430 CCCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210375_100000042594 [0,2,0,0,0,0|1,0,1]=4 8675 B18R0.17430 CCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210375_100000038929 [0,2,0,0,0,0|1,0,1]=4 8676 B18R0.17430 CCCCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210375_100000076697 [0,2,0,0,0,0|1,0,1]=4 8677 B18R0.17430 CCCCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210319 [0,2,0,0,0,0|1,0,1]=4 8678 B18R0.17430 CCCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210375 [0,2,0,0,0,0|1,0,1]=4 8679 B18R0.17430 CCCCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_200011219864 [0,2,0,0,0,0|2,0,0]=4 8680 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 34a_100011215000_100000685027 [0,2,0,0,0,0|1,0,0]=3 8681 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 7a_100011215000_100011215641 [0,2,0,0,0,0|1,0,0]=3 8682 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 34a_100011215000_100102525003 [0,2,0,0,0,0|1,0,0]=3 8683 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 7a_100011215000_100102525003 [0,2,0,0,0,0|1,0,0]=3 8684 B18R0.17430 CCCCCCCCCCC(C)OCCCC(C)O 34a_100011215000_200000718107 [0,2,0,0,0,0|1,0,1]=4 8685 B18R0.17430 CCCCCCCCCCC(C)OCCCC(C)O 7a_100011215000_200000718107 [0,2,0,0,0,0|1,0,1]=4 8686 B18R0.17430 CCCCCCCCCCC(C)OCCNC(=O)C 7a_100011215000_100000189650 [0,2,0,0,0,0|2,0,0]=4 8687 B18R0.17430 CCCCCCCCCCC(C)OCCNC(=O)N 7a_100011215000_200000034859 [0,2,0,0,0,0|2,0,0]=4 8688 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)C 34a_100011215000_100009814007 [0,2,0,0,0,0|2,0,0]=4 8689 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)C 7a_100011215000_100009814007 [0,2,0,0,0,0|2,0,0]=4 8690 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)N 34a_100011215000_200011214921 [0,2,0,0,0,0|2,0,0]=4 8691 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)N 7a_100011215000_200011214921 [0,2,0,0,0,0|2,0,0]=4 8692 B18R0.17430 CCCCCCCCCCN(C)CCCCB(O)O 2230a_100000207566_200009817182 [0,2,0,0,0,0|1,0,1]=4 8693 B18R0.17430 CCCCCCCCCCN(C)CCCCB(O)O 269982a_100000207566_200009817182 [0,2,0,0,0,0|1,0,1]=4 8694 B18R0.17430 CCCCCCCCCCN(C)CCCCC(=O)C 269982a_100000207566_100000735457 [0,2,0,0,0,0|1,0,0]=3 8695 B18R0.17430 CCCCCCCCCCN(C)CCCOC(=O)C 269982a_100000207566_100000042594 [0,2,0,0,0,0|2,0,0]=4 8696 B18R0.17430 CCCCCCCCCCN(C)CCCSC(=O)C 2230a_100000207566_100000038929 [0,2,0,0,0,0|2,0,0]=4 8697 B18R0.17430 CCCCCCCCCCN(C)CCCSC(=O)C 269982a_100000207566_100000038929 [0,2,0,0,0,0|2,0,0]=4 8698 B18R0.17430 CCCCCCCCCCN(C)CCOCC(=O)N 2230a_100000207566_100000076697 [0,2,0,0,0,0|2,0,0]=4 8699 B18R0.17430 CCCCCCCCCCN(C)CCOCC(=O)N 269982a_100000207566_100000076697 [0,2,0,0,0,0|2,0,0]=4 8700 B18R0.17430 CCCCCCCCOCC(=O)CCCCC(=O)C 1458a_100000759886_100000735457 [0,2,0,0,0,0|1,0,1]=4 8701 B18R0.19183 C=C(C)CCC(C)NCCCCCCCCCCC 270004a_200011215754_100011215600 [0,2,0,0,0,0|2,0,0]=4 8702 B18R0.19183 C=C(C)CCN(C)CCCCCCCCCCCC 2230a_100000227908_100000730704 [0,2,0,0,0,0|2,0,0]=4 8703 B18R0.19183 C=C(C)CCN(C)CCCCCCCCCCCC 269982a_100000227908_100000730704 [0,2,0,0,0,0|2,0,0]=4 8704 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000759014 [0,2,0,0,0,0|1,0,0]=3 8705 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(C)O 1458a_100011215791_100012276601 [0,2,0,0,0,0|1,0,1]=4 8706 B18R0.19183 CCCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000759014 [0,2,0,0,0,0|1,0,1]=4 8707 B18R0.19183 CCCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000759014 [0,2,0,0,0,0|1,0,1]=4 8708 B18R0.19183 CCCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000759014 [0,2,0,0,0,0|1,0,1]=4 8709 B18R0.19183 CCCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000759014 [0,2,0,0,0,0|1,0,1]=4 8710 B18R0.19183 CCCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000759014 [0,2,0,0,0,0|1,0,1]=4 8711 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100011215791 [0,2,0,0,0,0|1,0,1]=4 8712 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011215791 [0,2,0,0,0,0|1,0,1]=4 8713 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011217028 [0,2,0,0,0,0|1,0,0]=3 8714 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [0,2,0,0,0,0|0,0,0]=2 8715 B18R0.19183 CCCCCCCCCCCCC(C)NCC(C)O 2230a_100000210904_200011217028 [0,2,0,0,0,0|1,0,1]=4 8716 B18R0.19183 CCCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011219199 [0,2,0,0,0,0|1,0,1]=4 8717 B18R0.19183 CCCCCCCCCCCCC(C)NCC(C)O 34a_100000210904_200011217028 [0,2,0,0,0,0|1,0,1]=4 8718 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)C 34a_100000211253_200011217028 [0,2,0,0,0,0|1,0,0]=3 8719 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 34a_200011215752_100000187820 [0,2,0,0,0,0|1,0,0]=3 8720 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 7a_200011215752_100000187820 [0,2,0,0,0,0|1,0,0]=3 8721 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)[O-] 34a_200011215752_100020667443 [0,2,0,0,0,0|0,0,1]=3 8722 B18R0.19183 CCCCCCCCCCCCC(C)OCC(C)O 34a_200011215752_100011218427 [0,2,0,0,0,0|1,0,1]=4 8723 B18R0.19183 CCCCCCCCCCCCC(C)OCC(C)O 7a_200011215752_100011218427 [0,2,0,0,0,0|1,0,1]=4 8724 B18R0.19183 CCCCCCCCCCCCC(C)OC[C@@H](C)O 34a_200011215752_100009817552 [0,2,0,0,0,0|1,0,1]=4 8725 B18R0.19183 CCCCCCCCCCCCC(C)OC[C@@H](C)O 7a_200011215752_100009817552 [0,2,0,0,0,0|1,0,1]=4 8726 B18R0.19183 CCCCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215752_100000761209 [0,2,0,0,0,0|1,0,1]=4 8727 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_100000747473_200011217028 [0,2,0,0,0,0|1,0,0]=3 8728 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_200011217028_100000747473 [0,2,0,0,0,0|1,0,0]=3 8729 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011217028 [0,2,0,0,0,0|0,0,1]=3 8730 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_200011217028_100020667443 [0,2,0,0,0,0|0,0,1]=3 8731 B18R0.19183 CCCCCCCCCCCCC(C)SCC(C)O 62a_100011218427_200011217028 [0,2,0,0,0,0|1,0,1]=4 8732 B18R0.19183 CCCCCCCCCCCCC(C)SCC(C)O 62a_200011217028_100011218427 [0,2,0,0,0,0|1,0,1]=4 8733 B18R0.19183 CCCCCCCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011217028 [0,2,0,0,0,0|1,0,1]=4 8734 B18R0.19183 CCCCCCCCCCCCC(C)SC[C@@H](C)O 62a_200011217028_100009817552 [0,2,0,0,0,0|1,0,1]=4 8735 B18R0.19183 CCCCCCCCCCCCC(C)SC[N+](=O)[O-] 62a_200011217028_100000761209 [0,2,0,0,0,0|1,0,1]=4 8736 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)C 269982a_100000227908_100000053229 [0,2,0,0,0,0|1,0,0]=3 8737 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000227908_100000744528 [0,2,0,0,0,0|1,0,0]=3 8738 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215052 [0,2,0,0,0,0|1,0,0]=3 8739 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 269982a_100000227908_100000744528 [0,2,0,0,0,0|1,0,0]=3 8740 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 270004a_100000730477_100011218549 [0,2,0,0,0,0|1,0,0]=3 8741 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)O 2230a_100000227908_100012276601 [0,2,0,0,0,0|1,0,1]=4 8742 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)O 269982a_100000227908_100012276601 [0,2,0,0,0,0|1,0,1]=4 8743 B18R0.19183 CCCCCCCCCCCCN(C)COC(=O)C 269982a_100000227908_100000076356 [0,2,0,0,0,0|2,0,0]=4 8744 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(=O)N 240690a_200011215754_100011215257 [0,2,0,0,0,0|1,0,1]=4 8745 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(=O)N 527a_200011215754_100011215257 [0,2,0,0,0,0|1,0,1]=4 8746 B18R0.19183 CCCCCCCCCCCNC(C)COC(=O)C 270004a_200011215754_100000000629 [0,2,0,0,0,0|2,0,0]=4 8747 B18R0.19183 CCCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210320 [0,2,0,0,0,0|1,0,1]=4 8748 B18R0.19183 CCCCCCCCCCNCC(C)CSC(=O)C 2230a_100000684558_200000116872 [0,2,0,0,0,0|2,0,0]=4 8749 B18R0.19183 CCCCCCCCCCNCC(C)CSC(=O)C 34a_100000684558_200000116872 [0,2,0,0,0,0|2,0,0]=4 8750 B18R0.19183 CCCCCCCCCCNCC(O)COC(=O)C 34a_100000684558_200000139349 [0,2,0,0,0,0|2,0,0]=4 8751 B18R0.19183 CCCCCCCCCCOCC(C)CSC(=O)C 34a_100000210711_200000116872 [0,2,0,0,0,0|2,0,0]=4 8752 B18R0.19183 CCCCCCCCCCOCC(C)CSC(=O)C 7a_100000210711_200000116872 [0,2,0,0,0,0|2,0,0]=4 8753 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 34a_100000210711_200000139349 [0,2,0,0,0,0|2,0,0]=4 8754 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 7a_100000210711_200000139349 [0,2,0,0,0,0|2,0,0]=4 8755 B18R0.19183 CCCCCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210320 [0,2,0,0,0,0|2,0,0]=4 8756 B18R0.19183 CCCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210320 [0,2,0,0,0,0|2,0,0]=4 8757 B18R0.19183 CCCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210670 [0,2,0,0,0,0|1,0,1]=4 8758 B18R0.19183 CN(CCCCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009812471 [0,2,0,0,0,0|2,0,0]=4 8759 B18R0.19183 NC(=O)CCC(=O)CCCCCCCCCCCO 1458a_100011215257_100009812471 [0,2,0,0,0,0|1,0,1]=4 8760 B18R0.19354 CC(CCBr)OCCCCCCCCCCC(=O)N 34a_100012276601_200010167045 [0,2,0,0,0,0|2,0,0]=4 8761 B18R0.19354 CC(CCO)SCCCCCCCCCCC(=O)N 62a_100009893172_200010167045 [0,2,0,0,0,0|2,0,0]=4 8762 B18R0.19354 CC(CCO)SCCCCCCCCCCC(=O)N 62a_200010167045_100009893172 [0,2,0,0,0,0|2,0,0]=4 8763 B18R0.19354 CCCC(C)NCCCCCCCCCCC(=O)N 2230a_100000741246_200010167045 [0,2,0,0,0,0|1,0,0]=3 8764 B18R0.19354 CCCC(C)OCCCCCCCCCCC(=O)N 34a_100000764384_200010167045 [0,2,0,0,0,0|1,0,0]=3 8765 B18R0.19354 CCCC(C)OCCCCCCCCCCC(=O)N 7a_100000764384_200010167045 [0,2,0,0,0,0|1,0,0]=3 8766 B18R0.19354 CCCC(C)SCCCCCCCCCCC(=O)N 62a_100000766640_200010167045 [0,2,0,0,0,0|1,0,0]=3 8767 B18R0.19354 CCCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000766640 [0,2,0,0,0,0|1,0,0]=3 8768 B18R0.19354 CCOC(=O)CCCCCCCCCCCC(=O)C 1458a_100000070787_100103168309 [0,2,0,0,0,0|1,0,1]=4 8769 B18R0.19354 CCOC(=O)CCCCCCCCCNCC(=O)O 269956a_100016091260_100009828014 [0,2,0,0,0,0|1,0,1]=4 8770 B18R0.19354 COCC(C)SCCCCCCCCCCC(=O)N 62a_100000765312_200010167045 [0,2,0,0,0,0|2,0,0]=4 8771 B18R0.19354 COCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000765312 [0,2,0,0,0,0|2,0,0]=4 8772 B18R0.19354 COC[C@@H](C)NCCCCCCCCCCC(=O)N 2230a_100000764878_200010167045 [0,2,0,0,0,0|2,0,0]=4 8773 B18R0.19354 COC[C@@H](C)OCCCCCCCCCCC(=O)N 34a_100011934205_200010167045 [0,2,0,0,0,0|2,0,0]=4 8774 B18R0.19354 C[C@H](CCO)NCCCCCCCCCCC(=O)N 2230a_100000706166_200010167045 [0,2,0,0,0,0|2,0,0]=4 8775 B18R0.19354 C[C@H](CCO)NCCCCCCCCCCC(=O)N 34a_100000706166_200010167045 [0,2,0,0,0,0|2,0,0]=4 8776 B18R0.6867 CCCCCCCC(C)(C)OCCCCCC(=O)N 34a_100000123541_200000046972 [0,2,0,0,0,0|2,0,0]=4 8777 B18R0.6867 CCCCCCCC(C)(C)OCCCCCC(=O)N 7a_100000123541_200000046972 [0,2,0,0,0,0|2,0,0]=4 8778 B18R0.6867 CCCCCCCC(C)(C)OCCCCCC(=O)[O-] 7a_100102619762_200000046972 [0,2,0,0,0,0|1,0,1]=4 8779 B18R0.6867 CCCCCCCC(C)(C)SCCCCCC(=O)N 62a_100009817443_200000046972 [0,2,0,0,0,0|2,0,0]=4 8780 B18R0.6867 CCCCCCCC(C)(C)SCCCCCC(=O)N 62a_200000046972_100009817443 [0,2,0,0,0,0|2,0,0]=4 8781 B18R0.9621 CCCCCCCC(O)CC(=O)CCCCC(=O)C 1458a_200011667753_100000735457 [0,2,0,0,0,0|1,0,1]=4 8782 B18R0.12744 CC(C)CCCCCCC(=O)CCCCCC(=O)N 1458a_100000040743_100009817443 [0,2,0,0,0,0|1,0,1]=4 8783 B18R0.19335 CCCCCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210614 [0,2,0,0,0,0|0,0,1]=3 8784 B18R0.19335 CCCCCCCC(=O)CCCCCCC(=O)OC 1458a_100000211969_100009815986 [0,2,0,0,0,0|0,0,1]=3 8785 B18R0.19335 CCCCCCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000211969 [0,2,0,0,0,0|1,0,1]=4 8786 B18R0.19335 CCCCCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011218727 [0,2,0,0,0,0|1,0,0]=3 8787 B18R0.19335 CCCCCCCC(C)OCCCCCC(=O)OC 34a_200011215852_100009816466 [0,2,0,0,0,0|1,0,0]=3 8788 B18R0.19335 CCCCCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011218727 [0,2,0,0,0,0|1,0,0]=3 8789 B18R0.19335 CCCCCCCC(C)OCCCCCC(=O)OC 7a_200011215852_100009816466 [0,2,0,0,0,0|1,0,0]=3 8790 B18R0.19335 CCCCCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011218727 [0,2,0,0,0,0|1,0,0]=3 8791 B18R0.19335 CCCCCCCC(C)SCCCCCC(=O)OC 62a_200011218727_100009816466 [0,2,0,0,0,0|1,0,0]=3 8792 B18R0.19335 CCCCCCCN(C)CCCCCCC(=O)OC 2230a_100000228206_100009815986 [0,2,0,0,0,0|1,0,0]=3 8793 B18R0.19335 CCCCCCCN(C)CCCCCCC(=O)OC 269982a_100000228206_100009815986 [0,2,0,0,0,0|1,0,0]=3 8794 B18R0.19335 CCCCCCNC(=O)CCCCCCC(=O)OC 11a_100000210581_100000036694 [0,2,0,0,0,0|1,0,1]=4 8795 B18R0.19335 CCCCCCNC(=O)CCCCCCC(=O)OC 1626a_100000210581_100000036694 [0,2,0,0,0,0|1,0,1]=4 8796 B18R0.19335 CCCCCCNC(=O)CCCCCCC(=O)OC 240690a_100000210581_100000036694 [0,2,0,0,0,0|1,0,1]=4 8797 B18R0.19335 CCCCOCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000743108 [0,2,0,0,0,0|1,0,1]=4 8798 B18R0.19335 COC(=O)CCCCCCC(=O)CCCCCCF 1458a_100000036694_100015922095 [0,2,0,0,0,0|1,0,1]=4 8799 B18R0.19335 COC(=O)CCCCCCC(=O)CCCCCCO 1458a_100000036694_100000766143 [0,2,0,0,0,0|1,0,1]=4 8800 B18R0.19335 COC(=O)CCCCCCC(=O)CCCCCCO 1458a_100011996774_100009815986 [0,2,0,0,0,0|1,0,1]=4 8801 B18R0.19335 COCCCCCC(=O)CCCCCCC(=O)OC 1458a_100011935119_100009815986 [0,2,0,0,0,0|1,0,1]=4 8802 B18R0.19489 C=CC(CCCCCCC)OCCCCCC(=O)N 34a_200011934235_100009817443 [0,2,0,0,0,0|2,0,0]=4 8803 B18R0.19489 C=CC(CCCCCCC)OCCCCCC(=O)N 7a_200011934235_100009817443 [0,2,0,0,0,0|2,0,0]=4 8804 B18R0.19489 CCCCCCCC(CC)OCCCCCC(=O)N 34a_200011217053_100009817443 [0,2,0,0,0,0|2,0,0]=4 8805 B18R0.19489 CCCCCCCC(CC)OCCCCCC(=O)N 7a_200011217053_100009817443 [0,2,0,0,0,0|2,0,0]=4 8806 B18R0.101 CCCCCCCCC(=O)CCCCCC(=O)OC 1458a_100000210188_100009816466 [0,2,0,0,0,0|0,0,1]=3 8807 B18R0.101 CCCCCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210759 [0,2,0,0,0,0|0,0,1]=3 8808 B18R0.101 CCCCCCCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210188 [0,2,0,0,0,0|1,0,1]=4 8809 B18R0.101 CCCCCCCCC(C)CNCCCC(=O)NC 270004a_100000740002_100011995885 [0,2,0,0,0,0|2,0,0]=4 8810 B18R0.101 CCCCCCCCC(C)COCCCC(=O)NC 34a_200012125181_100000741757 [0,2,0,0,0,0|2,0,0]=4 8811 B18R0.101 CCCCCCCCC(C)COCCCC(=O)NC 7a_200012125181_100000741757 [0,2,0,0,0,0|2,0,0]=4 8812 B18R0.101 CCCCCCCCC(C)COCCCC(=O)OC 34a_200012125181_100000742333 [0,2,0,0,0,0|1,0,0]=3 8813 B18R0.101 CCCCCCCCC(C)COCCCC(=O)OC 7a_200012125181_100011218270 [0,2,0,0,0,0|1,0,0]=3 8814 B18R0.101 CCCCCCCCC(C)OCCCCC(=O)OC 34a_100000210740_100000204269 [0,2,0,0,0,0|1,0,0]=3 8815 B18R0.101 CCCCCCCCC(C)OCCCCC(=O)OC 7a_100000210740_100000204269 [0,2,0,0,0,0|1,0,0]=3 8816 B18R0.101 CCCCCCCCC(C)OCCOCC(=O)OC 34a_100000210740_100000090808 [0,2,0,0,0,0|2,0,0]=4 8817 B18R0.101 CCCCCCCCC(C)OCCOCC(=O)OC 7a_100000210740_100000090808 [0,2,0,0,0,0|2,0,0]=4 8818 B18R0.101 CCCCCCCCN(C)CCCCCC(=O)OC 2230a_100000207567_100009816466 [0,2,0,0,0,0|1,0,0]=3 8819 B18R0.101 CCCCCCCCN(C)CCCCCC(=O)OC 269982a_100000207567_100009816466 [0,2,0,0,0,0|1,0,0]=3 8820 B18R0.101 CCCCCCCNC(=O)CCCCCC(=O)OC 11a_100000229938_100009848860 [0,2,0,0,0,0|1,0,1]=4 8821 B18R0.101 CCCCCCCNC(=O)CCCCCC(=O)OC 1626a_100000229938_100009848860 [0,2,0,0,0,0|1,0,1]=4 8822 B18R0.101 CCCCCCCNC(=O)CCCCCC(=O)OC 240690a_100000229938_100009848860 [0,2,0,0,0,0|1,0,1]=4 8823 B18R0.101 COC(=O)CCCCCC(=O)CCCCCCCO 1458a_100009848860_100000760002 [0,2,0,0,0,0|1,0,1]=4 8824 B18R0.101 COC(=O)CCCCCC(=O)CCCCCCCO 1458a_100011219782_100009816466 [0,2,0,0,0,0|1,0,1]=4 8825 B18R0.101 COCCCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100011998445 [0,2,0,0,0,0|1,0,1]=4 8826 B18R0.6445 CCCCCCCCC(O)C(=O)CCCCC(=O)C 1458a_200011995895_100000735457 [0,2,0,0,0,0|1,0,1]=4 8827 B18R0.11020 CCCCCCCCC(CC)NCCCCC(=O)N 270004a_100000696515_200011217995 [0,2,0,0,0,0|2,0,0]=4 8828 B18R0.11020 CCCCCCCCC(CC)OCCCCC(=O)C 34a_200011216270_100009817362 [0,2,0,0,0,0|2,0,0]=4 8829 B18R0.11020 CCCCCCCCC(CC)OCCCCC(=O)C 7a_200011216270_100000735457 [0,2,0,0,0,0|2,0,0]=4 8830 B18R0.13157 CCCCCC(C)CCC(=O)CCCCCC(=O)N 1458a_100000034243_100009817443 [0,2,0,0,0,0|1,0,1]=4 8831 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)CC 1458a_100011215791_100000747405 [0,2,0,0,0,0|1,0,1]=4 8832 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)NC 1458a_100011215791_100000183359 [0,2,0,0,0,0|1,0,1]=4 8833 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000759014 [0,2,0,0,0,0|0,0,1]=3 8834 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100011215791_100000747449 [0,2,0,0,0,0|0,0,1]=3 8835 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)CC 269982a_100000227908_100000747405 [0,2,0,0,0,0|2,0,0]=4 8836 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215052 [0,2,0,0,0,0|2,0,0]=4 8837 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 2230a_100000227908_100000183359 [0,2,0,0,0,0|2,0,0]=4 8838 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 269982a_100000227908_100000183359 [0,2,0,0,0,0|2,0,0]=4 8839 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 270004a_100000189611_100011218549 [0,2,0,0,0,0|2,0,0]=4 8840 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215052 [0,2,0,0,0,0|1,0,0]=3 8841 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000227908_100000747449 [0,2,0,0,0,0|1,0,0]=3 8842 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 269982a_100000227908_100000747449 [0,2,0,0,0,0|1,0,0]=3 8843 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 270004a_100000198492_100011218549 [0,2,0,0,0,0|1,0,0]=3 8844 B18R0.175 CCCCCCCCCCCNC(=O)CC(=O)OC 240690a_200011215754_100000211351 [0,2,0,0,0,0|1,0,1]=4 8845 B18R0.175 CCCCCCCCCCCNC(C)CC(=O)OC 2230a_200011215754_100009817358 [0,2,0,0,0,0|1,0,0]=3 8846 B18R0.175 CCCCCCCCCCCNC(C)CC(=O)OC 34a_200011215754_100009817358 [0,2,0,0,0,0|1,0,0]=3 8847 B18R0.175 CCCCCCCCCCCOC(C)CC(=O)OC 34a_100000210809_100009817358 [0,2,0,0,0,0|1,0,0]=3 8848 B18R0.175 CCCCCCCCCCCOC(C)CC(=O)OC 7a_100000210809_100009817358 [0,2,0,0,0,0|1,0,0]=3 8849 B18R0.175 CCCCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100011215454 [0,2,0,0,0,0|1,0,0]=3 8850 B18R0.175 CCCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000684558_100000754131 [0,2,0,0,0,0|1,0,0]=3 8851 B18R0.175 CCCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210711_100000754131 [0,2,0,0,0,0|1,0,0]=3 8852 B18R0.175 CCCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210711_100000754131 [0,2,0,0,0,0|1,0,0]=3 8853 B18R0.175 CCCCCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210320 [0,2,0,0,0,0|1,0,1]=4 8854 B18R0.175 CCCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210320 [0,2,0,0,0,0|1,0,0]=3 8855 B18R0.175 COC(=O)CC(=O)CCCCCCCCCCCO 1458a_100000211351_100009812471 [0,2,0,0,0,0|1,0,1]=4 8856 B18R0.175 COC(=O)CC(C)NCCCCCCCCCCO 2230a_100000066964_100009817358 [0,2,0,0,0,0|2,0,0]=4 8857 B18R0.175 COC(=O)CC(C)NCCCCCCCCCCO 34a_100000066964_100009817358 [0,2,0,0,0,0|2,0,0]=4 8858 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCBr 34a_100009813290_100009817358 [0,2,0,0,0,0|2,0,0]=4 8859 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCBr 7a_100009813290_100009817358 [0,2,0,0,0,0|2,0,0]=4 8860 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCCl 34a_200000033068_100009817358 [0,2,0,0,0,0|2,0,0]=4 8861 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCCl 7a_200000033068_100009817358 [0,2,0,0,0,0|2,0,0]=4 8862 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCN 34a_100000066964_100009817358 [0,2,0,0,0,0|2,0,0]=4 8863 B18R0.175 COC(=O)CC(C)SCCCCCCCCCCO 62a_100009813290_100009817358 [0,2,0,0,0,0|2,0,0]=4 8864 B18R0.175 COC(=O)CC(C)SCCCCCCCCCCO 62a_100009817358_200000033068 [0,2,0,0,0,0|2,0,0]=4 8865 B18R0.175 COC(=O)CN(C)CCCCCCCCCCCO 2230a_100000198492_100009812471 [0,2,0,0,0,0|2,0,0]=4 8866 B18R0.175 COC(=O)C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100000754131 [0,2,0,0,0,0|2,0,0]=4 8867 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100000754131 [0,2,0,0,0,0|2,0,0]=4 8868 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100000754131 [0,2,0,0,0,0|2,0,0]=4 8869 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100000754131 [0,2,0,0,0,0|2,0,0]=4 8870 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100000754131 [0,2,0,0,0,0|2,0,0]=4 8871 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100000754131 [0,2,0,0,0,0|2,0,0]=4 8872 B18R0.175 COC(=O)C[C@@H](O)CSCCCCCCCCCO 62a_100000754131_100009813782 [0,2,0,0,0,0|2,0,0]=4 8873 B18R0.175 COC(=O)C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100000754131 [0,2,0,0,0,0|2,0,0]=4 8874 B18R0.3148 CC(C)CC(=O)CCCCCCCCCCC(=O)N 1458a_100000210554_200010167045 [0,2,0,0,0,0|1,0,1]=4 8875 B18R0.3148 CC(C)CN(C)CCCCCCCCCCC(=O)N 2230a_100000747067_200010167045 [0,2,0,0,0,0|2,0,0]=4 8876 B18R0.3148 CC(C)CN(C)CCCCCCCCCCC(=O)N 269982a_100000747067_200010167045 [0,2,0,0,0,0|2,0,0]=4 8877 B18R0.3148 CC(O)CN(C)CCCCCCCCCCC(=O)N 2230a_100000227577_200010167045 [0,2,0,0,0,0|2,0,0]=4 8878 B18R0.3148 CC(O)CN(C)CCCCCCCCCCC(=O)N 269982a_100000227577_200010167045 [0,2,0,0,0,0|2,0,0]=4 8879 B18R0.3148 C[C@@H](O)CC(=O)CCCCCCCCCCC(=O)N 1458a_100011933948_200010167045 [0,2,0,0,0,0|1,0,1]=4 8880 B18R0.3151 CCCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000759014 [0,2,0,0,0,0|1,0,0]=3 8881 B18R0.3151 CCCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000759014 [0,2,0,0,0,0|1,0,1]=4 8882 B18R0.3151 CCCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100011215454 [0,2,0,0,0,0|1,0,0]=3 8883 B18R0.3151 CCCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215454 [0,2,0,0,0,0|1,0,0]=3 8884 B18R0.3151 CCN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746405_100009812471 [0,2,0,0,0,0|2,0,0]=4 8885 B18R0.3151 CC[C@H](CC(=O)O)NCCCCCCCCCCO 269956a_100016995926_100009813290 [0,2,0,0,0,0|2,0,0]=4 8886 B18R0.3151 O=C(O)C[C@@H](CO)NCCCCCCCCCCO 269956a_100009816507_100009813290 [0,2,0,0,0,0|2,0,0]=4 8887 B18R0.6543 CCCCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011216755 [0,2,0,0,0,0|2,0,0]=4 8888 B18R0.13761 CC(C)(CC(=O)O)NCCCCCCCCCCO 269956a_100000755897_100009813290 [0,2,0,0,0,0|2,0,0]=4 8889 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100011215454 [0,2,0,0,0,0|2,0,0]=4 8890 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215454 [0,2,0,0,0,0|1,0,0]=3 8891 B18R0.13761 CCCCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100011215454 [0,2,0,0,0,0|2,0,0]=4 8892 B18R0.19787 CC(C(=O)O)N(C)CCCCCCCCCCCO 269956a_100000749554_100009812471 [0,2,0,0,0,0|2,0,0]=4 8893 B18R0.19787 CCCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100011215791_100000179758 [0,2,0,0,0,0|1,0,1]=4 8894 B18R0.19787 CCCCCCCCCCCCC(=O)C(C)C(=O)N 1458a_100011215791_100000702099 [0,2,0,0,0,0|1,0,1]=4 8895 B18R0.19787 CCCCCCCCCCCCC(=O)C(F)C(=O)N 1458a_100011215791_100009813875 [0,2,0,0,0,0|1,0,1]=4 8896 B18R0.19787 CCCCCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100011215791_100020610796 [0,2,0,0,0,0|0,0,2]=4 8897 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)C 2230a_100000227908_100009814033 [0,2,0,0,0,0|2,0,0]=4 8898 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)C 269982a_100000227908_100009814033 [0,2,0,0,0,0|2,0,0]=4 8899 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)N 2230a_100000227908_100000702099 [0,2,0,0,0,0|2,0,0]=4 8900 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)N 269982a_100000227908_100000184083 [0,2,0,0,0,0|2,0,0]=4 8901 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000759014 [0,2,0,0,0,0|1,0,0]=3 8902 B18R0.19787 CCCCCCCCCCCCN(C)C(F)C(=O)N 2230a_100000227908_100009813875 [0,2,0,0,0,0|2,0,0]=4 8903 B18R0.19787 CCCCCCCCCCCCN(C)C(F)C(=O)N 269982a_100000227908_100009813875 [0,2,0,0,0,0|2,0,0]=4 8904 B18R0.19787 CCCCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011215454 [0,2,0,0,0,0|2,0,0]=4 8905 B18R0.126 CCCCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210757 [0,2,0,0,0,0|0,0,1]=3 8906 B18R0.126 CCCCCCC(=O)CCCCCCCC(=O)OC 1458a_100102632555_100010004213 [0,2,0,0,0,0|0,0,1]=3 8907 B18R0.126 CCCCCCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100102632555 [0,2,0,0,0,0|1,0,1]=4 8908 B18R0.126 CCCCCCC(C)CCOCCCCC(=O)OC 34a_200011024964_100000204269 [0,2,0,0,0,0|1,0,0]=3 8909 B18R0.126 CCCCCCC(C)CCOCCCCC(=O)OC 7a_200011024964_100000204269 [0,2,0,0,0,0|1,0,0]=3 8910 B18R0.126 CCCCCCC(C)CCOCCOCC(=O)OC 34a_200011024964_100000090808 [0,2,0,0,0,0|2,0,0]=4 8911 B18R0.126 CCCCCCC(C)CCOCCOCC(=O)OC 7a_200011024964_100000090808 [0,2,0,0,0,0|2,0,0]=4 8912 B18R0.126 CCCCCCC(C)NCCCCCCC(=O)OC 2230a_100000210919_100009815986 [0,2,0,0,0,0|1,0,0]=3 8913 B18R0.126 CCCCCCC(C)NCCCCCCC(=O)OC 34a_100000210919_100009815986 [0,2,0,0,0,0|1,0,0]=3 8914 B18R0.126 CCCCCCC(C)OCCCCCCC(=O)OC 34a_100000210265_100009815986 [0,2,0,0,0,0|1,0,0]=3 8915 B18R0.126 CCCCCCC(C)OCCCCCCC(=O)OC 34a_100009863599_100011215978 [0,2,0,0,0,0|1,0,0]=3 8916 B18R0.126 CCCCCCC(C)OCCCCCCC(=O)OC 7a_100000210265_100009815986 [0,2,0,0,0,0|1,0,0]=3 8917 B18R0.126 CCCCCCC(C)OCCCCCCC(=O)OC 7a_100009863599_100011215978 [0,2,0,0,0,0|1,0,0]=3 8918 B18R0.126 CCCCCCC(C)SCCCCCCC(=O)OC 62a_100009815986_100011215978 [0,2,0,0,0,0|1,0,0]=3 8919 B18R0.126 CCCCCCC(C)SCCCCCCC(=O)OC 62a_100011215978_100009815986 [0,2,0,0,0,0|1,0,0]=3 8920 B18R0.126 CCCCCCN(C)CCCCCCCC(=O)OC 2230a_106256046315_100010004213 [0,2,0,0,0,0|1,0,0]=3 8921 B18R0.126 CCCCCCN(C)CCCCCCCC(=O)OC 269982a_106256046315_100010004213 [0,2,0,0,0,0|1,0,0]=3 8922 B18R0.126 CCCCCNC(=O)CCCCCCCC(=O)OC 11a_100000209983_100000033222 [0,2,0,0,0,0|1,0,1]=4 8923 B18R0.126 CCCCCNC(=O)CCCCCCCC(=O)OC 1626a_100000209983_100000033222 [0,2,0,0,0,0|1,0,1]=4 8924 B18R0.126 CCCCCNC(=O)CCCCCCCC(=O)OC 240690a_100000209983_100000033222 [0,2,0,0,0,0|1,0,1]=4 8925 B18R0.126 CCCCOCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100011995733 [0,2,0,0,0,0|1,0,1]=4 8926 B18R0.126 CCCCOCC(=O)CCCCCCCC(=O)OC 1458a_100000757543_100010004213 [0,2,0,0,0,0|1,0,1]=4 8927 B18R0.126 CCCCOCC(C)OCCCCCCC(=O)OC 34a_100011217071_100009815986 [0,2,0,0,0,0|2,0,0]=4 8928 B18R0.126 CCCCOCC(C)OCCCCCCC(=O)OC 7a_100011217071_100009815986 [0,2,0,0,0,0|2,0,0]=4 8929 B18R0.126 CCCCSCC(=O)CCCCCCCC(=O)OC 1458a_100000191162_100010004213 [0,2,0,0,0,0|1,0,1]=4 8930 B18R0.126 CCCOCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100011215938 [0,2,0,0,0,0|1,0,1]=4 8931 B18R0.126 CCOCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100012232248 [0,2,0,0,0,0|1,0,1]=4 8932 B18R0.126 COC(=O)CCCCCCCC(=O)CCCCCF 1458a_100000033222_100000729378 [0,2,0,0,0,0|1,0,1]=4 8933 B18R0.126 COC(=O)CCCCCCCC(=O)CCCCCO 1458a_100000033222_100000746330 [0,2,0,0,0,0|1,0,1]=4 8934 B18R0.126 COC(=O)CCCCCCCC(=O)CCCCCO 1458a_100102619762_100010004213 [0,2,0,0,0,0|1,0,1]=4 8935 B18R0.126 COC(=O)CCCCCCCN(C)CCCCCO 2230a_100000722520_100010004213 [0,2,0,0,0,0|2,0,0]=4 8936 B18R0.126 COC(=O)CCCCCCCN(C)CCCCCO 269982a_100000722520_100010004213 [0,2,0,0,0,0|2,0,0]=4 8937 B18R0.126 COCCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000755781 [0,2,0,0,0,0|1,0,1]=4 8938 B18R0.6585 CCCCC(CC)CCCCNCCCCC(=O)N 34a_100000696515_200012094884 [0,2,0,0,0,0|2,0,0]=4 8939 B18R0.6585 CCCCC(CC)CCCCNCCOCC(=O)O 269956a_100000700818_200012094884 [0,2,0,0,0,0|2,0,0]=4 8940 B18R0.6585 CCCCC(CC)CCCCOCCCCC(=O)N 34a_100012022536_200012094884 [0,2,0,0,0,0|2,0,0]=4 8941 B18R0.6585 CCCCC(CC)CCCCOCCCCC(=O)N 7a_100012022536_200012094884 [0,2,0,0,0,0|2,0,0]=4 8942 B18R0.6585 CCCCC(CC)CCCCSCCCCC(=O)C 62a_100000735457_200012094884 [0,2,0,0,0,0|2,0,0]=4 8943 B18R0.6585 CCCCC(CC)CCCCSCCCCC(=O)C 62a_200012094884_100000735457 [0,2,0,0,0,0|2,0,0]=4 8944 B18R0.19859 CCCCC(=O)CCCCCCCCCC(=O)OC 1458a_100000210183_100009813843 [0,2,0,0,0,0|0,0,1]=3 8945 B18R0.19859 CCCCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210211 [0,2,0,0,0,0|0,0,1]=3 8946 B18R0.19859 CCCCC(C)CCCCOCCCCC(=O)OC 34a_200011021034_100000204269 [0,2,0,0,0,0|1,0,0]=3 8947 B18R0.19859 CCCCC(C)CCCCOCCCCC(=O)OC 7a_200011021034_100000204269 [0,2,0,0,0,0|1,0,0]=3 8948 B18R0.19859 CCCCC(C)CCCCOCCOCC(=O)OC 34a_200011021034_100000090808 [0,2,0,0,0,0|2,0,0]=4 8949 B18R0.19859 CCCCC(C)CCCCOCCOCC(=O)OC 7a_200011021034_100000090808 [0,2,0,0,0,0|2,0,0]=4 8950 B18R0.19859 CCCCC(C)COCCCCCCCC(=O)OC 34a_100011995851_100010004213 [0,2,0,0,0,0|1,0,0]=3 8951 B18R0.19859 CCCCC(C)COCCCCCCCC(=O)OC 7a_100011995851_100010004213 [0,2,0,0,0,0|1,0,0]=3 8952 B18R0.19859 CCCCC(C)NCCCCCCCCC(=O)OC 2230a_100000126638_100010282707 [0,2,0,0,0,0|1,0,0]=3 8953 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_200011215066 [0,2,0,0,0,0|1,0,0]=3 8954 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 34a_100000687866_100010282707 [0,2,0,0,0,0|1,0,0]=3 8955 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_200011215066 [0,2,0,0,0,0|1,0,0]=3 8956 B18R0.19859 CCCCC(C)OCCCCCCCCC(=O)OC 7a_100000687866_100010282707 [0,2,0,0,0,0|1,0,0]=3 8957 B18R0.19859 CCCCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_200011215066 [0,2,0,0,0,0|1,0,0]=3 8958 B18R0.19859 CCCCC(C)SCCCCCCCCC(=O)OC 62a_200011215066_100010282707 [0,2,0,0,0,0|1,0,0]=3 8959 B18R0.19859 CCCCN(C)CCCCCCCCCC(=O)OC 2230a_100000207549_100009813843 [0,2,0,0,0,0|1,0,0]=3 8960 B18R0.19859 CCCCN(C)CCCCCCCCCC(=O)OC 269982a_100000207549_100009813843 [0,2,0,0,0,0|1,0,0]=3 8961 B18R0.19859 CCCC[C@H](N)COCCCCCCCC(=O)OC 34a_100011934283_100010004213 [0,2,0,0,0,0|1,0,0]=3 8962 B18R0.19859 CCCNC(=O)CCCCCCCCCC(=O)OC 11a_100020643023_100009997464 [0,2,0,0,0,0|1,0,1]=4 8963 B18R0.19859 CCCNC(=O)CCCCCCCCCC(=O)OC 1626a_100020643023_100009997464 [0,2,0,0,0,0|1,0,1]=4 8964 B18R0.19859 CCCNC(=O)CCCCCCCCCC(=O)OC 240690a_100020643023_100009997464 [0,2,0,0,0,0|1,0,1]=4 8965 B18R0.19859 CCCOC(C)CNCCCCCCCC(=O)OC 2230a_100015185124_100010004213 [0,2,0,0,0,0|2,0,0]=4 8966 B18R0.19859 CCCOC(C)CNCCCCCCCC(=O)OC 34a_100015185124_100010004213 [0,2,0,0,0,0|2,0,0]=4 8967 B18R0.19859 CCOCC(=O)CCCCCCCCCC(=O)OC 1458a_100000211967_100009813843 [0,2,0,0,0,0|1,0,1]=4 8968 B18R0.19859 CCOCC(C)OCCCCCCCCC(=O)OC 34a_100000718985_100010282707 [0,2,0,0,0,0|2,0,0]=4 8969 B18R0.19859 CCOCC(C)OCCCCCCCCC(=O)OC 7a_100000718985_100010282707 [0,2,0,0,0,0|2,0,0]=4 8970 B18R0.19859 CCOCC(O)CNCCCCCCCC(=O)OC 2230a_102515437182_100010004213 [0,2,0,0,0,0|2,0,0]=4 8971 B18R0.19859 CCOCC(O)CNCCCCCCCC(=O)OC 34a_102515437182_100010004213 [0,2,0,0,0,0|2,0,0]=4 8972 B18R0.19859 CCSCC(=O)CCCCCCCCCC(=O)OC 1458a_100000230394_100009813843 [0,2,0,0,0,0|1,0,1]=4 8973 B18R0.19859 COC(=O)CCCCCCCCCC(=O)CCCF 1458a_100009997464_100011934791 [0,2,0,0,0,0|1,0,1]=4 8974 B18R0.19859 COC(=O)CCCCCCCCCC(=O)CCCO 1458a_100009997464_100011215043 [0,2,0,0,0,0|1,0,1]=4 8975 B18R0.19859 COC(=O)CCCCCCCCCC(=O)CCSC 1458a_100000174002_100009813843 [0,2,0,0,0,0|1,0,1]=4 8976 B18R0.19859 COC(=O)CCCCCCCCCC(=O)CCSC 1458a_100009997464_100000751147 [0,2,0,0,0,0|1,0,1]=4 8977 B18R0.19859 COC(=O)CCCCCCCCCN(C)CCCO 2230a_100000213112_100009813843 [0,2,0,0,0,0|2,0,0]=4 8978 B18R0.19859 COC(=O)CCCCCCCCCN(C)CCCO 269982a_100000213112_100009813843 [0,2,0,0,0,0|2,0,0]=4 8979 B18R0.19859 COC(=O)CCCCCCCCCN(C)CCSC 2230a_100000686725_100009813843 [0,2,0,0,0,0|2,0,0]=4 8980 B18R0.19859 COC(=O)CCCCCCCCCN(C)CCSC 269982a_100000686725_100009813843 [0,2,0,0,0,0|2,0,0]=4 8981 B18R0.19859 COC(=O)CCCCCCCCOC(C)CCCCl 34a_200000718107_100010282707 [0,2,0,0,0,0|2,0,0]=4 8982 B18R0.19859 COC(=O)CCCCCCCCOC(C)CCCCl 7a_200000718107_100010282707 [0,2,0,0,0,0|2,0,0]=4 8983 B18R0.19859 COC(=O)CCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100010004213 [0,2,0,0,0,0|2,0,0]=4 8984 B18R0.19859 COC(=O)CCCCCCCNC[C@H](C)CCCO 34a_100160569302_100010004213 [0,2,0,0,0,0|2,0,0]=4 8985 B18R0.19859 COC(=O)CCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100010004213 [0,2,0,0,0,0|2,0,0]=4 8986 B18R0.19859 COCCC(=O)CCCCCCCCCC(=O)OC 1458a_100000749529_100009813843 [0,2,0,0,0,0|1,0,1]=4 8987 B18R0.19859 COCCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000233755 [0,2,0,0,0,0|1,0,1]=4 8988 B18R0.19859 COCCN(C)CCCCCCCCCC(=O)OC 2230a_100000743101_100009813843 [0,2,0,0,0,0|2,0,0]=4 8989 B18R0.19859 COCCN(C)CCCCCCCCCC(=O)OC 269982a_100000743101_100009813843 [0,2,0,0,0,0|2,0,0]=4 8990 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210326 [0,2,0,0,0,0|0,0,1]=3 8991 B18R0.20486 CCCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000212188_100010282707 [0,2,0,0,0,0|0,0,1]=3 8992 B18R0.20486 CCCCCC(=O)COCCCCCCC(=O)OC 34a_100009863599_200012276598 [0,2,0,0,0,0|1,0,1]=4 8993 B18R0.20486 CCCCCC(=O)COCCCCCCC(=O)OC 7a_100009863599_200012276598 [0,2,0,0,0,0|1,0,1]=4 8994 B18R0.20486 CCCCCC(=O)CSCCCCCCC(=O)OC 62a_100009815986_200012276598 [0,2,0,0,0,0|1,0,1]=4 8995 B18R0.20486 CCCCCC(=O)CSCCCCCCC(=O)OC 62a_200012276598_100009815986 [0,2,0,0,0,0|1,0,1]=4 8996 B18R0.20486 CCCCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000212188 [0,2,0,0,0,0|1,0,1]=4 8997 B18R0.20486 CCCCCC(C)NCCCCCCCC(=O)OC 2230a_100000211957_100010004213 [0,2,0,0,0,0|1,0,0]=3 8998 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 34a_100011022521_200011218191 [0,2,0,0,0,0|1,0,0]=3 8999 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 34a_100011215632_100010004213 [0,2,0,0,0,0|1,0,0]=3 9000 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 7a_100011022521_200011218191 [0,2,0,0,0,0|1,0,0]=3 9001 B18R0.20486 CCCCCC(C)OCCCCCCCC(=O)OC 7a_100011215632_100010004213 [0,2,0,0,0,0|1,0,0]=3 9002 B18R0.20486 CCCCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_200011218191 [0,2,0,0,0,0|1,0,0]=3 9003 B18R0.20486 CCCCCC(C)SCCCCCCCC(=O)OC 62a_200011218191_100010004213 [0,2,0,0,0,0|1,0,0]=3 9004 B18R0.20486 CCCCCN(C)CCCCCCCCC(=O)OC 2230a_100000223495_100010282707 [0,2,0,0,0,0|1,0,0]=3 9005 B18R0.20486 CCCCCN(C)CCCCCCCCC(=O)OC 269982a_100000223495_100010282707 [0,2,0,0,0,0|1,0,0]=3 9006 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 11a_100000102301_100000036616 [0,2,0,0,0,0|1,0,1]=4 9007 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 1626a_100000102301_100000036616 [0,2,0,0,0,0|1,0,1]=4 9008 B18R0.20486 CCCCNC(=O)CCCCCCCCC(=O)OC 240690a_100000102301_100000036616 [0,2,0,0,0,0|1,0,1]=4 9009 B18R0.20486 CCCOCC(=O)CCCCCCCCC(=O)OC 1458a_100000745993_100010282707 [0,2,0,0,0,0|1,0,1]=4 9010 B18R0.20486 CCCSCC(=O)CCCCCCCCC(=O)OC 1458a_100000217233_100010282707 [0,2,0,0,0,0|1,0,1]=4 9011 B18R0.20486 CCOCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100011215890 [0,2,0,0,0,0|1,0,1]=4 9012 B18R0.20486 CCOCCC(=O)CCCCCCCCC(=O)OC 1458a_100000749530_100010282707 [0,2,0,0,0,0|1,0,1]=4 9013 B18R0.20486 CCSCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000757381 [0,2,0,0,0,0|1,0,1]=4 9014 B18R0.20486 CCSCCC(=O)CCCCCCCCC(=O)OC 1458a_100000230768_100010282707 [0,2,0,0,0,0|1,0,1]=4 9015 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCCF 1458a_100000036616_100000729493 [0,2,0,0,0,0|1,0,1]=4 9016 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCCO 1458a_100000036616_100000210776 [0,2,0,0,0,0|1,0,1]=4 9017 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCCO 1458a_100000695505_100010282707 [0,2,0,0,0,0|1,0,1]=4 9018 B18R0.20486 COC(=O)CCCCCCCCC(=O)CCCSC 1458a_100000173376_100010282707 [0,2,0,0,0,0|1,0,1]=4 9019 B18R0.20486 COC(=O)CCCCCCCCN(C)CCCCO 2230a_100000717598_100010282707 [0,2,0,0,0,0|2,0,0]=4 9020 B18R0.20486 COC(=O)CCCCCCCCN(C)CCCCO 269982a_100000717598_100010282707 [0,2,0,0,0,0|2,0,0]=4 9021 B18R0.20486 COC(=O)CCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100009815986 [0,2,0,0,0,0|2,0,0]=4 9022 B18R0.20486 COCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000740836 [0,2,0,0,0,0|1,0,1]=4 9023 B18R0.20486 COCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000741012_100010282707 [0,2,0,0,0,0|1,0,1]=4 9024 B18R0.20486 COCCCC(C)OCCCCCCCC(=O)OC 34a_200011539412_100010004213 [0,2,0,0,0,0|2,0,0]=4 9025 B18R0.20486 COCCCC(C)OCCCCCCCC(=O)OC 7a_200011539412_100010004213 [0,2,0,0,0,0|2,0,0]=4 9026 B18R0.20486 COCCCN(C)CCCCCCCCC(=O)OC 2230a_100000224831_100010282707 [0,2,0,0,0,0|2,0,0]=4 9027 B18R0.20486 COCCCN(C)CCCCCCCCC(=O)OC 269982a_100000224831_100010282707 [0,2,0,0,0,0|2,0,0]=4 9028 B18R0.186 CCCCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216755 [0,2,0,0,0,0|2,0,0]=4 9029 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)C 7a_100011217895_100000179758 [0,2,0,0,0,0|2,0,0]=4 9030 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)N 34a_100011217895_100000702099 [0,2,0,0,0,0|2,0,0]=4 9031 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)N 7a_100011217895_100000702099 [0,2,0,0,0,0|2,0,0]=4 9032 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)N 34a_100011217895_100009813875 [0,2,0,0,0,0|2,0,0]=4 9033 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)N 7a_100011217895_100009813875 [0,2,0,0,0,0|2,0,0]=4 9034 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011217895_100020610796 [0,2,0,0,0,0|1,0,1]=4 9035 B18R0.187 CCCCCCCCCCCN(CC)CCC(=O)N 2230a_100020645749_100011215454 [0,2,0,0,0,0|2,0,0]=4 9036 B18R0.7795 CCCCCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100011215454 [0,2,0,0,0,0|1,0,1]=4 9037 B18R0.7795 CCCCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215454 [0,2,0,0,0,0|0,0,1]=3 9038 B18R0.7795 CCCCCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100011215454 [0,2,0,0,0,0|1,0,1]=4 9039 B18R0.7795 CCCCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210736 [0,2,0,0,0,0|1,0,1]=4 9040 B18R0.7795 CCCCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_100020644155 [0,2,0,0,0,0|1,0,1]=4 9041 B18R0.7795 CCCCCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011216755 [0,2,0,0,0,0|2,0,0]=4 9042 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)CC 7a_100011217895_100000747405 [0,2,0,0,0,0|2,0,0]=4 9043 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)NC 34a_100011217895_100000183359 [0,2,0,0,0,0|2,0,0]=4 9044 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)NC 7a_100011217895_100000183359 [0,2,0,0,0,0|2,0,0]=4 9045 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)OC 34a_100011217895_100000747449 [0,2,0,0,0,0|1,0,0]=3 9046 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)OC 7a_100011217895_100000747449 [0,2,0,0,0,0|1,0,0]=3 9047 B18R0.7795 CCCCCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100011215454 [0,2,0,0,0,0|2,0,0]=4 9048 B18R0.7795 CCCCCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100011215454 [0,2,0,0,0,0|2,0,0]=4 9049 B18R0.7795 CCCCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100011215454 [0,2,0,0,0,0|1,0,0]=3 9050 B18R0.7795 CCCCCCCCCCNC(=O)CCC(=O)OC 11a_100000684558_100000187943 [0,2,0,0,0,0|1,0,1]=4 9051 B18R0.7795 CCCCCCCCCCNC(=O)CCC(=O)OC 1626a_100000684558_100000187943 [0,2,0,0,0,0|1,0,1]=4 9052 B18R0.7795 CCCCCCCCCCNC(=O)CCC(=O)OC 240690a_100000684558_100000187943 [0,2,0,0,0,0|1,0,1]=4 9053 B18R0.7795 CCCCCCCCCCNC(=O)CCC(=O)OC 527a_100000684558_100000187943 [0,2,0,0,0,0|1,0,1]=4 9054 B18R0.7795 CCCCCCCCCNCC(=O)CCC(=O)OC 2230a_100000212291_100000691467 [0,2,0,0,0,0|1,0,1]=4 9055 B18R0.7795 CCCCCCCCCNCC(=O)CCC(=O)OC 34a_100000212291_100000691467 [0,2,0,0,0,0|1,0,1]=4 9056 B18R0.7795 CCCCCCCCCOCC(=O)CCC(=O)OC 34a_100000210712_100000691467 [0,2,0,0,0,0|1,0,1]=4 9057 B18R0.7795 CCCCCCCCCOCC(=O)CCC(=O)OC 7a_100000210712_100000691467 [0,2,0,0,0,0|1,0,1]=4 9058 B18R0.7795 CCCCCCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210670 [0,2,0,0,0,0|1,0,1]=4 9059 B18R0.7795 COC(=O)CCC(=O)CCCCCCCCCCO 1458a_100000187943_100009813290 [0,2,0,0,0,0|1,0,1]=4 9060 B18R0.7795 COC(=O)CCN(C)CCCCCCCCCCO 269982a_100025711912_100009813290 [0,2,0,0,0,0|2,0,0]=4 9061 B18R0.11636 CCCCCCCCCC(C)CN(C)CCC(=O)N 270004a_100000730477_200011218516 [0,2,0,0,0,0|2,0,0]=4 9062 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCC 1458a_100000297455_100000184674 [0,2,0,0,0,0|1,0,0]=3 9063 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCC 1458a_100011220946_100011215471 [0,2,0,0,0,0|1,0,0]=3 9064 B18R0.110 C#CCC(=O)CCCCCCCCCCCCCO 1458a_100011220946_100009812470 [0,2,0,0,0,0|2,0,0]=4 9065 B18R0.110 C#CCC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100011220946 [0,2,0,0,0,0|2,0,0]=4 9066 B18R0.110 C#CCC(=O)NCCCCCCCCCCCCC 527a_100011215765_100011220946 [0,2,0,0,0,0|2,0,0]=4 9067 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 11a_100011215765_100000210193 [0,2,0,0,0,0|2,0,0]=4 9068 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000210193 [0,2,0,0,0,0|2,0,0]=4 9069 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 240690a_100011215765_100000210193 [0,2,0,0,0,0|2,0,0]=4 9070 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 527a_100011215765_100000210193 [0,2,0,0,0,0|2,0,0]=4 9071 B18R0.110 C=COC(=O)CNCCCCCCCCCCCC 2230a_100000210451_100000036128 [0,2,0,0,0,0|1,0,0]=3 9072 B18R0.110 C=COC(=O)CNCCCCCCCCCCCC 34a_100000210451_100000036128 [0,2,0,0,0,0|1,0,0]=3 9073 B18R0.110 C=COC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000036128 [0,2,0,0,0,0|2,0,0]=4 9074 B18R0.110 C=COC(=O)COCCCCCCCCCCCC 34a_100000210810_100000036128 [0,2,0,0,0,0|1,0,0]=3 9075 B18R0.110 C=COC(=O)COCCCCCCCCCOCC 34a_100009875440_100000036128 [0,2,0,0,0,0|2,0,0]=4 9076 B18R0.110 C=COC(=O)CSCCCCCCCCCCCC 62a_100000036128_100000759014 [0,2,0,0,0,0|1,0,0]=3 9077 B18R0.110 C=COC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000036128 [0,2,0,0,0,0|2,0,0]=4 9078 B18R0.110 CC#CC(=O)CCCCCCCCCCCCCC 1458a_100000763181_100011215471 [0,2,0,0,0,0|1,0,0]=3 9079 B18R0.110 CC#CC(=O)CCCCCCCCCCCCCO 1458a_100000763181_100009812470 [0,2,0,0,0,0|2,0,0]=4 9080 B18R0.110 CC=CC(=O)CCCCCCCCCCCCCO 1458a_100000210699_100009812470 [0,2,0,0,0,0|2,0,0]=4 9081 B18R0.110 CC=CC(=O)NCCCCCCCCCCCCC 11a_100011215765_100000210699 [0,2,0,0,0,0|2,0,0]=4 9082 B18R0.110 CC=CC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000210699 [0,2,0,0,0,0|2,0,0]=4 9083 B18R0.110 CC=CC(=O)NCCCCCCCCCCCCC 240690a_100011215765_100000210699 [0,2,0,0,0,0|2,0,0]=4 9084 B18R0.110 CCCCCCCCCCCCCCC(=O)CC#N 1458a_100000297455_100011214920 [0,2,0,0,0,0|1,0,0]=3 9085 B18R0.110 CCCCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215471 [0,2,0,0,0,0|1,0,0]=3 9086 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000297455 [0,2,0,0,0,0|1,0,0]=3 9087 B18R0.110 CCCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000297455 [0,2,0,0,0,0|1,0,0]=3 9088 B18R0.110 CCCCCCCCCCCCCCC(=O)NNC 22a_100016993582_100000297455 [0,2,0,0,0,0|1,0,0]=3 9089 B18R0.110 CCCCCCCCCCCCCNC(=O)C=CBr 1626a_100011215765_100016273825 [0,2,0,0,0,0|2,0,0]=4 9090 B18R0.110 CCCCCCCCCCCCCNC(=O)C=CBr 240690a_100011215765_100016273825 [0,2,0,0,0,0|2,0,0]=4 9091 B18R0.110 CCCCCCCCCCCCCNC(=O)C=CCl 11a_100011215765_200016279998 [0,2,0,0,0,0|2,0,0]=4 9092 B18R0.110 CCCCCCCCCCCCCNC(=O)C=CCl 1626a_100011215765_200016279998 [0,2,0,0,0,0|2,0,0]=4 9093 B18R0.110 CCCCCCCCCCCCCNC(=O)C=CCl 240690a_100011215765_200016279998 [0,2,0,0,0,0|2,0,0]=4 9094 B18R0.110 CCCCCCCCCCCCCNC(=O)C=CI 1626a_100011215765_100016256311 [0,2,0,0,0,0|2,0,0]=4 9095 B18R0.110 CCCCCCCCCCCCCNC(=O)CC#N 1626a_100011215765_100051588842 [0,2,0,0,0,0|2,0,0]=4 9096 B18R0.110 CCCCCCCCCCCCCNC(=O)CC#N 240690a_100011215765_100051588842 [0,2,0,0,0,0|2,0,0]=4 9097 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 11a_100011215765_100000211992 [0,2,0,0,0,0|2,0,0]=4 9098 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 1626a_100011215765_100000211992 [0,2,0,0,0,0|2,0,0]=4 9099 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 240690a_100011215765_100000211992 [0,2,0,0,0,0|2,0,0]=4 9100 B18R0.110 CCCCCCCCCCCCCNC(=O)CCC 527a_100011215765_100000211992 [0,2,0,0,0,0|2,0,0]=4 9101 B18R0.110 CCCCCCCCCCCCCNC(=O)CCO 240690a_100011215765_100011216618 [0,2,0,0,0,0|1,0,0]=3 9102 B18R0.110 CCCCCCCCCCCCCNC(=O)COC 11a_100011215765_100000210968 [0,2,0,0,0,0|1,0,0]=3 9103 B18R0.110 CCCCCCCCCCCCCNC(=O)COC 1626a_100011215765_100000210968 [0,2,0,0,0,0|1,0,0]=3 9104 B18R0.110 CCCCCCCCCCCCCNC(=O)COC 240690a_100011215765_100000210968 [0,2,0,0,0,0|1,0,0]=3 9105 B18R0.110 CCCCCCCCCCCCCNC(=O)COC 527a_100011215765_100000210968 [0,2,0,0,0,0|1,0,0]=3 9106 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC 11a_100011215765_100000184570 [0,2,0,0,0,0|1,1,0]=4 9107 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC 1626a_100011215765_100000184570 [0,2,0,0,0,0|1,1,0]=4 9108 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC 240690a_100011215765_100000184570 [0,2,0,0,0,0|1,1,0]=4 9109 B18R0.110 CCCCCCCCCCCCCNC(=O)CSC 527a_100011215765_100000184570 [0,2,0,0,0,0|1,1,0]=4 9110 B18R0.110 CCCCCCCCCCCCCNC(=O)NCC 2708a_100011215765_100015525214 [0,2,0,0,0,0|2,0,0]=4 9111 B18R0.110 CCCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100011215765 [0,2,0,0,0,0|2,0,0]=4 9112 B18R0.110 CCCCCCCCCCCCCNC(=O)NCC 273464a_100011215765_100015525214 [0,2,0,0,0,0|2,0,0]=4 9113 B18R0.110 CCCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100011215765 [0,2,0,0,0,0|2,0,0]=4 9114 B18R0.110 CCCCCCCCCCCCCNC(=O)NCC 512a_100011215765_100015525214 [0,2,0,0,0,0|2,0,0]=4 9115 B18R0.110 CCCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100011215765 [0,2,0,0,0,0|2,0,0]=4 9116 B18R0.110 CCCCCCCCCCCCCNC(=O)NNC 273464a_100011215765_100016993582 [0,2,0,0,0,0|2,0,0]=4 9117 B18R0.110 CCCCCCCCCCCCCNC(=O)NNC 512a_100011215765_100016993582 [0,2,0,0,0,0|2,0,0]=4 9118 B18R0.110 CCCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100011215765 [0,2,0,0,0,0|2,0,0]=4 9119 B18R0.110 CCCCCCCCCCCCNCC(=O)NCC 2230a_100000210451_100000183381 [0,2,0,0,0,0|2,0,0]=4 9120 B18R0.110 CCCCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011215052 [0,2,0,0,0,0|2,0,0]=4 9121 B18R0.110 CCCCCCCCCCCCNCC(=O)NCC 270004a_100016988866_100011218549 [0,2,0,0,0,0|2,0,0]=4 9122 B18R0.110 CCCCCCCCCCCCNCC(=O)NCC 34a_100000210451_100000183381 [0,2,0,0,0,0|2,0,0]=4 9123 B18R0.110 CCCCCCCCCCCCNCC(=O)NCO 2230a_100000210451_100000185155 [0,2,0,0,0,0|1,0,0]=3 9124 B18R0.110 CCCCCCCCCCCCNCC(=O)NCO 34a_100000210451_100000185155 [0,2,0,0,0,0|1,0,0]=3 9125 B18R0.110 CCCCCCCCCCCCNCC(=O)OCC 2230a_100000210451_100000188475 [0,2,0,0,0,0|1,0,0]=3 9126 B18R0.110 CCCCCCCCCCCCNCC(=O)OCC 34a_100000210451_100000188475 [0,2,0,0,0,0|1,0,0]=3 9127 B18R0.110 CCCCCCCCCCCCOCC(=O)NCC 34a_100000210810_100000183381 [0,2,0,0,0,0|2,0,0]=4 9128 B18R0.110 CCCCCCCCCCCCOCC(=O)NCC 7a_100000210810_100000183381 [0,2,0,0,0,0|2,0,0]=4 9129 B18R0.110 CCCCCCCCCCCCOCC(=O)NCO 34a_100000210810_100000185155 [0,2,0,0,0,0|1,0,0]=3 9130 B18R0.110 CCCCCCCCCCCCOCC(=O)NCO 7a_100000210810_100000185155 [0,2,0,0,0,0|1,0,0]=3 9131 B18R0.110 CCCCCCCCCCCCOCC(=O)OCC 34a_100000210810_100000188475 [0,2,0,0,0,0|1,0,0]=3 9132 B18R0.110 CCCCCCCCCCCCOCC(=O)OCC 7a_100000210810_100000188475 [0,2,0,0,0,0|1,0,0]=3 9133 B18R0.110 CCCCCCCCCCCCSCC(=O)NCC 62a_100000183381_100000759014 [0,2,0,0,0,0|2,0,0]=4 9134 B18R0.110 CCCCCCCCCCCCSCC(=O)NCO 62a_100000185155_100000759014 [0,2,0,0,0,0|1,0,0]=3 9135 B18R0.110 CCCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000759014 [0,2,0,0,0,0|1,0,0]=3 9136 B18R0.110 CCCCCCCCCCCNCCC(=O)NCC 2230a_200011215754_100000737597 [0,2,0,0,0,0|2,0,0]=4 9137 B18R0.110 CCCCCCCCCCCNCCC(=O)NCC 34a_100025743525_100011215454 [0,2,0,0,0,0|2,0,0]=4 9138 B18R0.110 CCCCCCCCCCCNCCC(=O)OCC 2230a_200011215754_100011206558 [0,2,0,0,0,0|1,0,0]=3 9139 B18R0.110 CCCCCCCCCCCNCCC(=O)OCC 34a_200011215754_100000765890 [0,2,0,0,0,0|1,0,0]=3 9140 B18R0.110 CCCCCCCCCCCOCCC(=O)NCC 7a_100000210809_100000737597 [0,2,0,0,0,0|2,0,0]=4 9141 B18R0.110 CCCCCCCCCCCOCCC(=O)OCC 34a_100000210809_100000765890 [0,2,0,0,0,0|1,0,0]=3 9142 B18R0.110 CCCCCCCCCCCOCCC(=O)OCC 7a_100000210809_100011206558 [0,2,0,0,0,0|1,0,0]=3 9143 B18R0.110 CCCCCCCCCCCSCCC(=O)NCC 62a_100000737597_100011215454 [0,2,0,0,0,0|2,0,0]=4 9144 B18R0.110 CCCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100011215454 [0,2,0,0,0,0|1,0,0]=3 9145 B18R0.110 CCCCCCCCCCNCCCC(=O)OCC 2230a_100000684558_100009991533 [0,2,0,0,0,0|1,0,0]=3 9146 B18R0.110 CCCCCCCCCCNCCCC(=O)OCC 34a_100000684558_100009991533 [0,2,0,0,0,0|1,0,0]=3 9147 B18R0.110 CCCCCCCCCCOCCCC(=O)OCC 34a_100000210711_100009991533 [0,2,0,0,0,0|1,0,0]=3 9148 B18R0.110 CCCCCCCCCCOCCCC(=O)OCC 7a_100000210711_100011215271 [0,2,0,0,0,0|1,0,0]=3 9149 B18R0.110 CCCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210320 [0,2,0,0,0,0|1,0,0]=3 9150 B18R0.110 CCCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210320 [0,2,0,0,0,0|2,0,0]=4 9151 B18R0.110 CCCCCCCCCCOCCNC(=O)OCC 7a_100000210711_200011445536 [0,2,0,0,0,0|2,0,0]=4 9152 B18R0.110 CCCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210320 [0,2,0,0,0,0|1,0,0]=3 9153 B18R0.110 CCCCCCCCCNCCCCC(=O)OCC 2230a_100000212291_100000750268 [0,2,0,0,0,0|1,0,0]=3 9154 B18R0.110 CCCCCCCCCNCCCCC(=O)OCC 34a_100000212291_100000750268 [0,2,0,0,0,0|1,0,0]=3 9155 B18R0.110 CCCCCCCCCNCCOCC(=O)OCC 2230a_100000212291_100000088970 [0,2,0,0,0,0|2,0,0]=4 9156 B18R0.110 CCCCCCCCCNCCOCC(=O)OCC 34a_100000212291_100000088970 [0,2,0,0,0,0|2,0,0]=4 9157 B18R0.110 CCCCCCCCCOCCCCC(=O)OCC 34a_100000210712_100000750268 [0,2,0,0,0,0|1,0,0]=3 9158 B18R0.110 CCCCCCCCCOCCCCC(=O)OCC 7a_100000210712_100000750268 [0,2,0,0,0,0|1,0,0]=3 9159 B18R0.110 CCCCCCCCCOCCOCC(=O)OCC 34a_100000210712_100000088970 [0,2,0,0,0,0|2,0,0]=4 9160 B18R0.110 CCCCCCCCCOCCOCC(=O)OCC 7a_100000210712_100000088970 [0,2,0,0,0,0|2,0,0]=4 9161 B18R0.110 CCCCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210328 [0,2,0,0,0,0|2,0,0]=4 9162 B18R0.110 CCCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210670 [0,2,0,0,0,0|1,0,0]=3 9163 B18R0.110 CCCCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210670 [0,2,0,0,0,0|2,0,0]=4 9164 B18R0.110 CCCCCCCCNCCCCCC(=O)OCC 2230a_100000229939_100000755133 [0,2,0,0,0,0|1,0,0]=3 9165 B18R0.110 CCCCCCCCNCCCCCC(=O)OCC 34a_100000229939_100000755133 [0,2,0,0,0,0|1,0,0]=3 9166 B18R0.110 CCCCCCCCNCCCOCC(=O)OCC 2230a_100000229939_100009893628 [0,2,0,0,0,0|2,0,0]=4 9167 B18R0.110 CCCCCCCCNCCCOCC(=O)OCC 34a_100000229939_100009893628 [0,2,0,0,0,0|2,0,0]=4 9168 B18R0.110 CCCCCCCCOCCCCCC(=O)OCC 34a_100000210232_100000755133 [0,2,0,0,0,0|1,0,0]=3 9169 B18R0.110 CCCCCCCCOCCCCCC(=O)OCC 7a_100000210232_100000755133 [0,2,0,0,0,0|1,0,0]=3 9170 B18R0.110 CCCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210759 [0,2,0,0,0,0|1,0,0]=3 9171 B18R0.110 CCCCCCCCOCCCOCC(=O)OCC 34a_100000210232_100009893628 [0,2,0,0,0,0|2,0,0]=4 9172 B18R0.110 CCCCCCCCOCCCOCC(=O)OCC 7a_100000210232_100009893628 [0,2,0,0,0,0|2,0,0]=4 9173 B18R0.110 CCCCCCCCSCCCCCC(=O)OCC 62a_100000210759_100000755133 [0,2,0,0,0,0|1,0,0]=3 9174 B18R0.110 CCCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210317 [0,2,0,0,0,0|1,0,0]=3 9175 B18R0.110 CCCCCCCCSCCCOCC(=O)OCC 62a_100000210759_100009893628 [0,2,0,0,0,0|2,0,0]=4 9176 B18R0.110 CCCCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210317 [0,2,0,0,0,0|2,0,0]=4 9177 B18R0.110 CCCCCCCNCCCCCCC(=O)OCC 2230a_100000229938_100009814379 [0,2,0,0,0,0|1,0,0]=3 9178 B18R0.110 CCCCCCCOCCCCCCC(=O)OCC 34a_100000210272_100009814379 [0,2,0,0,0,0|1,0,0]=3 9179 B18R0.110 CCCCCCCOCCCCCCC(=O)OCC 7a_100000210272_100009814379 [0,2,0,0,0,0|1,0,0]=3 9180 B18R0.110 CCCCCCCSCCCCCCC(=O)OCC 62a_100000210614_100009814379 [0,2,0,0,0,0|1,0,0]=3 9181 B18R0.110 CCCCCCNCCCCCCCC(=O)OCC 2230a_100000210581_100009991516 [0,2,0,0,0,0|1,0,0]=3 9182 B18R0.110 CCCCCCOCCCCCCCC(=O)OCC 34a_100000210259_100009991516 [0,2,0,0,0,0|1,0,0]=3 9183 B18R0.110 CCCCCCOCCCCCCCC(=O)OCC 7a_100000210259_100009991516 [0,2,0,0,0,0|1,0,0]=3 9184 B18R0.110 CCCCCCOCCOCCCCC(=O)OCC 34a_100000691444_100000750268 [0,2,0,0,0,0|2,0,0]=4 9185 B18R0.110 CCCCCCOCCOCCCCC(=O)OCC 7a_100000691444_100000750268 [0,2,0,0,0,0|2,0,0]=4 9186 B18R0.110 CCCCCCSCCCCCCCC(=O)OCC 62a_100000210314_100009991516 [0,2,0,0,0,0|1,0,0]=3 9187 B18R0.110 CCCCCNCCCCCCCCC(=O)OCC 2230a_100000209983_100010175975 [0,2,0,0,0,0|1,0,0]=3 9188 B18R0.110 CCCCCNCCOCCCCCC(=O)OCC 34a_100000224656_100000755133 [0,2,0,0,0,0|2,0,0]=4 9189 B18R0.110 CCCCCOCCCCCCCCC(=O)OCC 34a_100000210253_100010175975 [0,2,0,0,0,0|1,0,0]=3 9190 B18R0.110 CCCCCOCCCCCCCCC(=O)OCC 7a_100000210253_100010175975 [0,2,0,0,0,0|1,0,0]=3 9191 B18R0.110 CCCCCOCCOCCCCCC(=O)OCC 34a_100011215259_100000755133 [0,2,0,0,0,0|2,0,0]=4 9192 B18R0.110 CCCCCOCCOCCCCCC(=O)OCC 7a_100011215259_100000755133 [0,2,0,0,0,0|2,0,0]=4 9193 B18R0.110 CCCCCSCCCCCCCCC(=O)OCC 62a_100000210326_100010175975 [0,2,0,0,0,0|1,0,0]=3 9194 B18R0.110 CCCCNCCCCCCCCCC(=O)OCC 2230a_100000102301_100009828014 [0,2,0,0,0,0|1,0,0]=3 9195 B18R0.110 CCCCNCCCCCCCCCC(=O)OCC 7a_106832991798_100009828014 [0,2,0,0,0,0|1,0,0]=3 9196 B18R0.110 CCCCNCCCCOCCCCC(=O)OCC 34a_200011216965_100000750268 [0,2,0,0,0,0|2,0,0]=4 9197 B18R0.110 CCCCOCCCCCCCCCC(=O)OCC 34a_100000210227_100009828014 [0,2,0,0,0,0|1,0,0]=3 9198 B18R0.110 CCCCOCCCCCCCCCC(=O)OCC 7a_100000210227_100009828014 [0,2,0,0,0,0|1,0,0]=3 9199 B18R0.110 CCCCOCCCCOCCCCC(=O)OCC 34a_200000760531_100000750268 [0,2,0,0,0,0|2,0,0]=4 9200 B18R0.110 CCCCOCCCCOCCCCC(=O)OCC 7a_200000760531_100000750268 [0,2,0,0,0,0|2,0,0]=4 9201 B18R0.110 CCCCOCCCNCCCCCC(=O)OCC 2230a_200000211371_100000755133 [0,2,0,0,0,0|2,0,0]=4 9202 B18R0.110 CCCCOCCCNCCCCCC(=O)OCC 34a_200000211371_100000755133 [0,2,0,0,0,0|2,0,0]=4 9203 B18R0.110 CCCCOCCCOCCCCCC(=O)OCC 34a_200011215613_100000755133 [0,2,0,0,0,0|2,0,0]=4 9204 B18R0.110 CCCCOCCCOCCCCCC(=O)OCC 7a_200011215613_100000755133 [0,2,0,0,0,0|2,0,0]=4 9205 B18R0.110 CCCCOCCOCCCCCCC(=O)OCC 34a_100000210238_100009814379 [0,2,0,0,0,0|2,0,0]=4 9206 B18R0.110 CCCCOCCOCCCCCCC(=O)OCC 7a_100000210238_100009814379 [0,2,0,0,0,0|2,0,0]=4 9207 B18R0.110 CCCCOCCSCCCCCCC(=O)OCC 62a_100000743108_100009814379 [0,2,0,0,0,0|2,0,0]=4 9208 B18R0.110 CCCCOCSCCCCCCCC(=O)OCC 62a_100011995733_100009991516 [0,2,0,0,0,0|2,0,0]=4 9209 B18R0.110 CCCCSCCCCCCCCCC(=O)OCC 62a_100000210211_100009828014 [0,2,0,0,0,0|1,0,0]=3 9210 B18R0.110 CCCCSCCNCCCCCCC(=O)OCC 2230a_100025743550_100009814379 [0,2,0,0,0,0|2,0,0]=4 9211 B18R0.110 CCCCSCCOCCCCCCC(=O)OCC 34a_200000230436_100009814379 [0,2,0,0,0,0|2,0,0]=4 9212 B18R0.110 CCCCSCCOCCCCCCC(=O)OCC 7a_200000230436_100009814379 [0,2,0,0,0,0|2,0,0]=4 9213 B18R0.110 CCCOCCCCCCCCCCC(=O)OCC 34a_100000210258_100009827693 [0,2,0,0,0,0|1,0,0]=3 9214 B18R0.110 CCCOCCCNCCCCCCC(=O)OCC 2230a_100011217757_100009814379 [0,2,0,0,0,0|2,0,0]=4 9215 B18R0.110 CCCOCCCNCCCCCCC(=O)OCC 34a_100011217757_100009814379 [0,2,0,0,0,0|2,0,0]=4 9216 B18R0.110 CCCOCCNCCCCCCCC(=O)OCC 2230a_100161115042_100009991516 [0,2,0,0,0,0|2,0,0]=4 9217 B18R0.110 CCCOCCNCCCCCCCC(=O)OCC 34a_100161115042_100009991516 [0,2,0,0,0,0|2,0,0]=4 9218 B18R0.110 CCCOCCOCCCCCCCC(=O)OCC 34a_100000752267_100009991516 [0,2,0,0,0,0|2,0,0]=4 9219 B18R0.110 CCCOCCOCCCCCCCC(=O)OCC 7a_100000752267_100009991516 [0,2,0,0,0,0|2,0,0]=4 9220 B18R0.110 CCCOCCSCCCCCCCC(=O)OCC 62a_100011215938_100009991516 [0,2,0,0,0,0|2,0,0]=4 9221 B18R0.110 CCCSCCCCCCCCCCC(=O)OCC 62a_100000210303_100009827693 [0,2,0,0,0,0|1,0,0]=3 9222 B18R0.110 CCCSCCNCCCCCCCC(=O)OCC 2230a_100020603323_100009991516 [0,2,0,0,0,0|2,0,0]=4 9223 B18R0.110 CCCSCCOCCCCCCCC(=O)OCC 34a_200000230433_100009991516 [0,2,0,0,0,0|2,0,0]=4 9224 B18R0.110 CCCSCCOCCCCCCCC(=O)OCC 7a_200000230433_100009991516 [0,2,0,0,0,0|2,0,0]=4 9225 B18R0.110 CCNC(=O)CCCCCCCCCCCCCO 240690a_100015525214_100020644313 [0,2,0,0,0,0|2,0,0]=4 9226 B18R0.110 CCNCCCCCCCCCCCC(=O)OCC 2230a_100015525214_100103168309 [0,2,0,0,0,0|1,0,0]=3 9227 B18R0.110 CCOC(=O)CCCCCCCCCCCSCC 62a_100000210202_100103168309 [0,2,0,0,0,0|1,0,0]=3 9228 B18R0.110 CCOC(=O)CCCCCCCCCCCSCF 62a_100015361967_100103168309 [0,2,0,0,0,0|2,0,0]=4 9229 B18R0.110 CCOC(=O)CCCCCCCCCCNCCF 34a_100000724931_100009827693 [0,2,0,0,0,0|2,0,0]=4 9230 B18R0.110 CCOC(=O)CCCCCCCCCCNCCO 2230a_100016997473_100009827693 [0,2,0,0,0,0|2,0,0]=4 9231 B18R0.110 CCOC(=O)CCCCCCCCCCNCCO 34a_100016990907_100009827693 [0,2,0,0,0,0|2,0,0]=4 9232 B18R0.110 CCOC(=O)CCCCCCCCCCOCCBr 34a_100000211926_100009827693 [0,2,0,0,0,0|2,0,0]=4 9233 B18R0.110 CCOC(=O)CCCCCCCCCCOCCN 34a_100000210304_100009827693 [0,2,0,0,0,0|2,0,0]=4 9234 B18R0.110 CCOC(=O)CCCCCCCCCCSCCF 62a_100011217306_100009827693 [0,2,0,0,0,0|2,0,0]=4 9235 B18R0.110 CCOC(=O)CCCCCCCCCCSCCO 62a_100000211926_100009827693 [0,2,0,0,0,0|2,0,0]=4 9236 B18R0.110 CCOC(=O)CCCCCCCCCCSCOC 62a_100000766300_100009827693 [0,2,0,0,0,0|2,0,0]=4 9237 B18R0.110 CCOC(=O)CCCCCCCCCCSCSC 62a_100011218213_100009827693 [0,2,0,0,0,0|2,0,0]=4 9238 B18R0.110 CCOC(=O)CCCCCCCCCNCCCF 2230a_100015189416_100009828014 [0,2,0,0,0,0|2,0,0]=4 9239 B18R0.110 CCOC(=O)CCCCCCCCCNCCCF 34a_100015189416_100009828014 [0,2,0,0,0,0|2,0,0]=4 9240 B18R0.110 CCOC(=O)CCCCCCCCCNCCOC 2230a_100000209980_100009828014 [0,2,0,0,0,0|2,0,0]=4 9241 B18R0.110 CCOC(=O)CCCCCCCCCNCCSC 2230a_100020590264_100009828014 [0,2,0,0,0,0|2,0,0]=4 9242 B18R0.110 CCOC(=O)CCCCCCCCCOCCCBr 34a_100011217188_100009828014 [0,2,0,0,0,0|2,0,0]=4 9243 B18R0.110 CCOC(=O)CCCCCCCCCOCCCCl 34a_100000230001_100009828014 [0,2,0,0,0,0|2,0,0]=4 9244 B18R0.110 CCOC(=O)CCCCCCCCCOCCCF 34a_100000759539_100009828014 [0,2,0,0,0,0|2,0,0]=4 9245 B18R0.110 CCOC(=O)CCCCCCCCCOCCCN 34a_100000182051_100009828014 [0,2,0,0,0,0|2,0,0]=4 9246 B18R0.110 CCOC(=O)CCCCCCCCCOCCOC 34a_100000210237_100009828014 [0,2,0,0,0,0|2,0,0]=4 9247 B18R0.110 CCOC(=O)CCCCCCCCCOCCSC 34a_100000230434_100009828014 [0,2,0,0,0,0|2,0,0]=4 9248 B18R0.110 CCOC(=O)CCCCCCCCCOCCSC 7a_100000230434_100009828014 [0,2,0,0,0,0|2,0,0]=4 9249 B18R0.110 CCOC(=O)CCCCCCCCCSCCCF 62a_100011934791_100009828014 [0,2,0,0,0,0|2,0,0]=4 9250 B18R0.110 CCOC(=O)CCCCCCCCCSCCCO 62a_100011215043_100009828014 [0,2,0,0,0,0|2,0,0]=4 9251 B18R0.110 CCOC(=O)CCCCCCCCCSCCOC 62a_100000233755_100009828014 [0,2,0,0,0,0|2,0,0]=4 9252 B18R0.110 CCOC(=O)CCCCCCCCCSCCSC 62a_100000212216_100009828014 [0,2,0,0,0,0|2,0,0]=4 9253 B18R0.110 CCOC(=O)CCCCCCCCNCCCCO 2230a_100000750430_100010175975 [0,2,0,0,0,0|2,0,0]=4 9254 B18R0.110 CCOC(=O)CCCCCCCCNCCCCO 34a_100000750430_100010175975 [0,2,0,0,0,0|2,0,0]=4 9255 B18R0.110 CCOC(=O)CCCCCCCCNCCCOC 34a_100150723488_100010175975 [0,2,0,0,0,0|2,0,0]=4 9256 B18R0.110 CCOC(=O)CCCCCCCCNCCCSC 2230a_100000749238_100010175975 [0,2,0,0,0,0|2,0,0]=4 9257 B18R0.110 CCOC(=O)CCCCCCCCNCCSCC 2230a_100000106463_100010175975 [0,2,0,0,0,0|2,0,0]=4 9258 B18R0.110 CCOC(=O)CCCCCCCCOCCCCBr 34a_100011216708_100010175975 [0,2,0,0,0,0|2,0,0]=4 9259 B18R0.110 CCOC(=O)CCCCCCCCOCCCCCl 34a_100000210776_100010175975 [0,2,0,0,0,0|2,0,0]=4 9260 B18R0.110 CCOC(=O)CCCCCCCCOCCCCCl 7a_100000210776_100010175975 [0,2,0,0,0,0|2,0,0]=4 9261 B18R0.110 CCOC(=O)CCCCCCCCOCCCCF 34a_100011995726_100010175975 [0,2,0,0,0,0|2,0,0]=4 9262 B18R0.110 CCOC(=O)CCCCCCCCOCCCCF 7a_100011995726_100010175975 [0,2,0,0,0,0|2,0,0]=4 9263 B18R0.110 CCOC(=O)CCCCCCCCOCCCCI 34a_200012148704_100010175975 [0,2,0,0,0,0|2,0,0]=4 9264 B18R0.110 CCOC(=O)CCCCCCCCOCCCCN 34a_100000750430_100010175975 [0,2,0,0,0,0|2,0,0]=4 9265 B18R0.110 CCOC(=O)CCCCCCCCOCCCNC 34a_100000213112_100010175975 [0,2,0,0,0,0|2,0,0]=4 9266 B18R0.110 CCOC(=O)CCCCCCCCOCCCOC 34a_100000740835_100010175975 [0,2,0,0,0,0|2,0,0]=4 9267 B18R0.110 CCOC(=O)CCCCCCCCOCCCSC 34a_100000690336_100010175975 [0,2,0,0,0,0|2,0,0]=4 9268 B18R0.110 CCOC(=O)CCCCCCCCOCCCSC 7a_100000690336_100010175975 [0,2,0,0,0,0|2,0,0]=4 9269 B18R0.110 CCOC(=O)CCCCCCCCOCCSCC 34a_100000212035_100010175975 [0,2,0,0,0,0|2,0,0]=4 9270 B18R0.110 CCOC(=O)CCCCCCCCOCCSCC 7a_100000212035_100010175975 [0,2,0,0,0,0|2,0,0]=4 9271 B18R0.110 CCOC(=O)CCCCCCCCSCCCCF 62a_100000729493_100010175975 [0,2,0,0,0,0|2,0,0]=4 9272 B18R0.110 CCOC(=O)CCCCCCCCSCCCCO 62a_100000210776_100010175975 [0,2,0,0,0,0|2,0,0]=4 9273 B18R0.110 CCOC(=O)CCCCCCCCSCCCOC 62a_100000709357_100010175975 [0,2,0,0,0,0|2,0,0]=4 9274 B18R0.110 CCOC(=O)CCCCCCCCSCCSCC 62a_100000757381_100010175975 [0,2,0,0,0,0|2,0,0]=4 9275 B18R0.110 CCOC(=O)CCCCCCCNCCCCCO 2230a_100000762737_100009991516 [0,2,0,0,0,0|2,0,0]=4 9276 B18R0.110 CCOC(=O)CCCCCCCNCCCCCO 34a_100000762737_100009991516 [0,2,0,0,0,0|2,0,0]=4 9277 B18R0.110 CCOC(=O)CCCCCCCOCCCCCBr 34a_100000746331_100009991516 [0,2,0,0,0,0|2,0,0]=4 9278 B18R0.110 CCOC(=O)CCCCCCCOCCCCCBr 7a_100000746331_100009991516 [0,2,0,0,0,0|2,0,0]=4 9279 B18R0.110 CCOC(=O)CCCCCCCOCCCCCCl 34a_100000746330_100009991516 [0,2,0,0,0,0|2,0,0]=4 9280 B18R0.110 CCOC(=O)CCCCCCCOCCCCCCl 7a_100000746330_100009991516 [0,2,0,0,0,0|2,0,0]=4 9281 B18R0.110 CCOC(=O)CCCCCCCOCCCCCI 34a_200012148887_100009991516 [0,2,0,0,0,0|2,0,0]=4 9282 B18R0.110 CCOC(=O)CCCCCCCOCCCCCI 7a_200012148887_100009991516 [0,2,0,0,0,0|2,0,0]=4 9283 B18R0.110 CCOC(=O)CCCCCCCOCCCCCN 34a_100000762737_100009991516 [0,2,0,0,0,0|2,0,0]=4 9284 B18R0.110 CCOC(=O)CCCCCCCOCCCCOC 34a_100000740925_100009991516 [0,2,0,0,0,0|2,0,0]=4 9285 B18R0.110 CCOC(=O)CCCCCCCOCCCCSC 34a_100011217163_100009991516 [0,2,0,0,0,0|2,0,0]=4 9286 B18R0.110 CCOC(=O)CCCCCCCOCCCCSC 7a_100011217163_100009991516 [0,2,0,0,0,0|2,0,0]=4 9287 B18R0.110 CCOC(=O)CCCCCCCOCCCSCC 34a_100011216438_100009991516 [0,2,0,0,0,0|2,0,0]=4 9288 B18R0.110 CCOC(=O)CCCCCCCOCCCSCC 7a_100011216438_100009991516 [0,2,0,0,0,0|2,0,0]=4 9289 B18R0.110 CCOC(=O)CCCCCCCSCCCCCF 62a_100000729378_100009991516 [0,2,0,0,0,0|2,0,0]=4 9290 B18R0.110 CCOC(=O)CCCCCCCSCCCCCO 62a_100000746330_100009991516 [0,2,0,0,0,0|2,0,0]=4 9291 B18R0.110 CCOC(=O)CCCCCCCSCCCCOC 62a_100000730899_100009991516 [0,2,0,0,0,0|2,0,0]=4 9292 B18R0.110 CCOC(=O)CCCCCCNCCCCCCO 2230a_100000686447_100009814379 [0,2,0,0,0,0|2,0,0]=4 9293 B18R0.110 CCOC(=O)CCCCCCNCCCCCCO 34a_100000686447_100009814379 [0,2,0,0,0,0|2,0,0]=4 9294 B18R0.110 CCOC(=O)CCCCCCNCCCCCOC 2230a_100000747528_100009814379 [0,2,0,0,0,0|2,0,0]=4 9295 B18R0.110 CCOC(=O)CCCCCCNCCCCCOC 34a_100000747528_100009814379 [0,2,0,0,0,0|2,0,0]=4 9296 B18R0.110 CCOC(=O)CCCCCCOCCCCCCBr 34a_100011215345_100009814379 [0,2,0,0,0,0|2,0,0]=4 9297 B18R0.110 CCOC(=O)CCCCCCOCCCCCCBr 7a_100011215345_100009814379 [0,2,0,0,0,0|2,0,0]=4 9298 B18R0.110 CCOC(=O)CCCCCCOCCCCCCCl 34a_100000766143_100009814379 [0,2,0,0,0,0|2,0,0]=4 9299 B18R0.110 CCOC(=O)CCCCCCOCCCCCCCl 7a_100000766143_100009814379 [0,2,0,0,0,0|2,0,0]=4 9300 B18R0.110 CCOC(=O)CCCCCCOCCCCCCF 34a_100000732779_100009814379 [0,2,0,0,0,0|2,0,0]=4 9301 B18R0.110 CCOC(=O)CCCCCCOCCCCCCF 7a_100000732779_100009814379 [0,2,0,0,0,0|2,0,0]=4 9302 B18R0.110 CCOC(=O)CCCCCCOCCCCCCN 34a_100000686447_100009814379 [0,2,0,0,0,0|2,0,0]=4 9303 B18R0.110 CCOC(=O)CCCCCCOCCCCCNC 34a_100000722520_100009814379 [0,2,0,0,0,0|2,0,0]=4 9304 B18R0.110 CCOC(=O)CCCCCCSCCCCCCF 62a_100015922095_100009814379 [0,2,0,0,0,0|2,0,0]=4 9305 B18R0.110 CCOC(=O)CCCCCCSCCCCCCO 62a_100000766143_100009814379 [0,2,0,0,0,0|2,0,0]=4 9306 B18R0.110 CCOC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100000755133 [0,2,0,0,0,0|2,0,0]=4 9307 B18R0.110 CCOC(=O)CCCCCNCCCCCCCO 34a_100011996573_100000755133 [0,2,0,0,0,0|2,0,0]=4 9308 B18R0.110 CCOC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100000755133 [0,2,0,0,0,0|2,0,0]=4 9309 B18R0.110 CCOC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100000755133 [0,2,0,0,0,0|2,0,0]=4 9310 B18R0.110 CCOC(=O)CCCCCOCCCCCCCN 34a_100011996573_100000755133 [0,2,0,0,0,0|2,0,0]=4 9311 B18R0.110 CCOC(=O)CCCCCOCCCCCCCO 7a_100011214988_100000760002 [0,2,0,0,0,0|2,0,0]=4 9312 B18R0.110 CCOC(=O)CCCCCOCCCCCCOC 34a_200012092642_100000755133 [0,2,0,0,0,0|2,0,0]=4 9313 B18R0.110 CCOC(=O)CCCCCOCCCCCCOC 7a_100011214988_100011998445 [0,2,0,0,0,0|2,0,0]=4 9314 B18R0.110 CCOC(=O)CCCCCOCCCCCCOC 7a_200012092642_100000755133 [0,2,0,0,0,0|2,0,0]=4 9315 B18R0.110 CCOC(=O)CCCCCSCCCCCCCO 62a_100000755133_100000760002 [0,2,0,0,0,0|2,0,0]=4 9316 B18R0.110 CCOC(=O)CCCCCSCCCCCCCO 62a_100000760002_100000755133 [0,2,0,0,0,0|2,0,0]=4 9317 B18R0.110 CCOC(=O)CCCCCSCCCCCCOC 62a_100000755133_100011998445 [0,2,0,0,0,0|2,0,0]=4 9318 B18R0.110 CCOC(=O)CCCCCSCCCCCCOC 62a_100011998445_100000755133 [0,2,0,0,0,0|2,0,0]=4 9319 B18R0.110 CCOC(=O)CCCCNCCCCCCCCO 2230a_102515433106_100000750268 [0,2,0,0,0,0|2,0,0]=4 9320 B18R0.110 CCOC(=O)CCCCNCCCCCCCCO 34a_102515433106_100000750268 [0,2,0,0,0,0|2,0,0]=4 9321 B18R0.110 CCOC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100000750268 [0,2,0,0,0,0|2,0,0]=4 9322 B18R0.110 CCOC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000750268 [0,2,0,0,0,0|2,0,0]=4 9323 B18R0.110 CCOC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100000750268 [0,2,0,0,0,0|2,0,0]=4 9324 B18R0.110 CCOC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000750268 [0,2,0,0,0,0|2,0,0]=4 9325 B18R0.110 CCOC(=O)CCCCOCCCCCCCCN 34a_102515433106_100000750268 [0,2,0,0,0,0|2,0,0]=4 9326 B18R0.110 CCOC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000750268 [0,2,0,0,0,0|2,0,0]=4 9327 B18R0.110 CCOC(=O)CCCCSCCCCCCCCO 62a_100000750268_100000033203 [0,2,0,0,0,0|2,0,0]=4 9328 B18R0.110 CCOC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100009991533 [0,2,0,0,0,0|2,0,0]=4 9329 B18R0.110 CCOC(=O)CCCNCCCCCCCCCO 34a_100000078944_100009991533 [0,2,0,0,0,0|2,0,0]=4 9330 B18R0.110 CCOC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100009991533 [0,2,0,0,0,0|2,0,0]=4 9331 B18R0.110 CCOC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215271 [0,2,0,0,0,0|2,0,0]=4 9332 B18R0.110 CCOC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100009991533 [0,2,0,0,0,0|2,0,0]=4 9333 B18R0.110 CCOC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215271 [0,2,0,0,0,0|2,0,0]=4 9334 B18R0.110 CCOC(=O)CCCOCCCCCCCCCN 34a_100000078944_100009991533 [0,2,0,0,0,0|2,0,0]=4 9335 B18R0.110 CCOC(=O)CCCOCCCCCCCCCO 7a_100012001163_100009813782 [0,2,0,0,0,0|2,0,0]=4 9336 B18R0.110 CCOC(=O)CCCSCCCCCCCCCO 62a_100009813782_100009991533 [0,2,0,0,0,0|2,0,0]=4 9337 B18R0.110 CCOC(=O)CCCSCCCCCCCCCO 62a_100009991533_100009813782 [0,2,0,0,0,0|2,0,0]=4 9338 B18R0.110 CCOC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100011206558 [0,2,0,0,0,0|2,0,0]=4 9339 B18R0.110 CCOC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000765890 [0,2,0,0,0,0|2,0,0]=4 9340 B18R0.110 CCOC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000765890 [0,2,0,0,0,0|2,0,0]=4 9341 B18R0.110 CCOC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100011206558 [0,2,0,0,0,0|2,0,0]=4 9342 B18R0.110 CCOC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000765890 [0,2,0,0,0,0|2,0,0]=4 9343 B18R0.110 CCOC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100011206558 [0,2,0,0,0,0|2,0,0]=4 9344 B18R0.110 CCOC(=O)CCOCCCCCCCCCCN 34a_100000066964_100000765890 [0,2,0,0,0,0|2,0,0]=4 9345 B18R0.110 CCOC(=O)CCSCCCCCCCCCCO 62a_100000765890_200000033068 [0,2,0,0,0,0|2,0,0]=4 9346 B18R0.110 CCOC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000765890 [0,2,0,0,0,0|2,0,0]=4 9347 B18R0.110 CCOC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000188475 [0,2,0,0,0,0|2,0,0]=4 9348 B18R0.110 CCOC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000188475 [0,2,0,0,0,0|2,0,0]=4 9349 B18R0.110 CCOC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000188475 [0,2,0,0,0,0|2,0,0]=4 9350 B18R0.110 CCOCCCCCCCCCCCC(=O)OCC 34a_100121572206_100103168309 [0,2,0,0,0,0|1,0,0]=3 9351 B18R0.110 CCOCCCCCCCCCOCC(=O)NCO 34a_100009875440_100000185155 [0,2,0,0,0,0|2,0,0]=4 9352 B18R0.110 CCOCCCCCCCCCOCC(=O)NCO 7a_100009875440_100000185155 [0,2,0,0,0,0|2,0,0]=4 9353 B18R0.110 CCOCCCCCCCCCOCC(=O)OCC 34a_100009875440_100000188475 [0,2,0,0,0,0|2,0,0]=4 9354 B18R0.110 CCOCCCCCCCCCOCC(=O)OCC 7a_100009875440_100000188475 [0,2,0,0,0,0|2,0,0]=4 9355 B18R0.110 CCOCCCNCCCCCCCC(=O)OCC 2230a_100000210961_100009991516 [0,2,0,0,0,0|2,0,0]=4 9356 B18R0.110 CCOCCCNCCCCCCCC(=O)OCC 34a_100000210961_100009991516 [0,2,0,0,0,0|2,0,0]=4 9357 B18R0.110 CCOCCCOCCCCCCCC(=O)OCC 34a_100000757476_100009991516 [0,2,0,0,0,0|2,0,0]=4 9358 B18R0.110 CCOCCCOCCCCCCCC(=O)OCC 7a_100000757476_100009991516 [0,2,0,0,0,0|2,0,0]=4 9359 B18R0.110 CCOCCCSCCCCCCCC(=O)OCC 62a_100012232248_100009991516 [0,2,0,0,0,0|2,0,0]=4 9360 B18R0.110 CCOCCNCCCCCCCCC(=O)OCC 2230a_102516460346_100010175975 [0,2,0,0,0,0|2,0,0]=4 9361 B18R0.110 CCOCCNCCCCCCCCC(=O)OCC 34a_102516460346_100010175975 [0,2,0,0,0,0|2,0,0]=4 9362 B18R0.110 CCOCCOCCCCCCCCC(=O)OCC 34a_100000210136_100010175975 [0,2,0,0,0,0|2,0,0]=4 9363 B18R0.110 CCOCCOCCCCCCCCC(=O)OCC 7a_100000210136_100010175975 [0,2,0,0,0,0|2,0,0]=4 9364 B18R0.110 CCOCCSCCCCCCCCC(=O)OCC 62a_100000210147_100010175975 [0,2,0,0,0,0|2,0,0]=4 9365 B18R0.110 CCOCSCCCCCCCCCC(=O)OCC 62a_100000739092_100009828014 [0,2,0,0,0,0|2,0,0]=4 9366 B18R0.110 CNNC(=O)CCCCCCCCCCCCCO 22a_100016993582_100020644313 [0,2,0,0,0,0|2,0,0]=4 9367 B18R0.110 COCC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210968 [0,2,0,0,0,0|2,0,0]=4 9368 B18R0.110 N#CCC(=O)CCCCCCCCCCCCCO 1458a_100051588842_100009812470 [0,2,0,0,0,0|2,0,0]=4 9369 B18R0.110 O=C(C=CBr)CCCCCCCCCCCCCO 1458a_100016273825_100009812470 [0,2,0,0,0,0|2,0,0]=4 9370 B18R0.110 O=C(C=CCl)CCCCCCCCCCCCCO 1458a_200016279998_100009812470 [0,2,0,0,0,0|2,0,0]=4 9371 B18R0.110 O=C(C=CI)CCCCCCCCCCCCCO 1458a_100016256311_100009812470 [0,2,0,0,0,0|2,0,0]=4 9372 B18R0.110 O=C(CCO)NCCCCCCCCCCCCO 240690a_100000066677_100011216618 [0,2,0,0,0,0|2,0,0]=4 9373 B18R0.110 O=C(COCCCCCCCCCCCBr)NCO 34a_100009812471_100000185155 [0,2,0,0,0,0|2,0,0]=4 9374 B18R0.110 O=C(COCCCCCCCCCCCBr)NCO 7a_100009812471_100000185155 [0,2,0,0,0,0|2,0,0]=4 9375 B18R0.110 O=C(CSCCCCCCCCCCCO)NCO 62a_100009812471_100000185155 [0,2,0,0,0,0|2,0,0]=4 9376 B18R0.189 C=C(CNCCCCCCCCCCC)C(=O)OC 34a_200011215754_100009813391 [0,2,0,0,0,0|1,0,1]=4 9377 B18R0.189 C=C(COCCCCCCCCCCC)C(=O)OC 34a_100000210809_100009813391 [0,2,0,0,0,0|1,0,1]=4 9378 B18R0.189 C=C(CSCCCCCCCCCCC)C(=O)OC 62a_100009813391_100011215454 [0,2,0,0,0,0|1,0,1]=4 9379 B18R0.189 CCCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210684 [0,2,0,0,0,0|1,0,1]=4 9380 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 11a_100000210451_100000024059 [0,2,0,0,0,0|1,0,1]=4 9381 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 1626a_100000210451_100000024059 [0,2,0,0,0,0|1,0,1]=4 9382 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 240690a_100000210451_100000024059 [0,2,0,0,0,0|1,0,1]=4 9383 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 527a_100000210451_100000024059 [0,2,0,0,0,0|1,0,1]=4 9384 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)CC 2230a_100000210451_100000742827 [0,2,0,0,0,0|2,0,0]=4 9385 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)NC 2230a_100000210451_100000731044 [0,2,0,0,0,0|2,0,0]=4 9386 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)NC 34a_100000210451_100000731044 [0,2,0,0,0,0|2,0,0]=4 9387 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)OC 2230a_100000210451_100000211248 [0,2,0,0,0,0|1,0,0]=3 9388 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)OC 34a_100000210451_100000211248 [0,2,0,0,0,0|1,0,0]=3 9389 B18R0.189 CCCCCCCCCCCCNC(F)C(=O)NC 2230a_100000210451_100009813575 [0,2,0,0,0,0|2,0,0]=4 9390 B18R0.189 CCCCCCCCCCCCNC(F)C(=O)NC 34a_100000210451_100009813575 [0,2,0,0,0,0|2,0,0]=4 9391 B18R0.189 CCCCCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215052 [0,2,0,0,0,0|2,0,0]=4 9392 B18R0.189 CCCCCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000759014 [0,2,0,0,0,0|2,0,0]=4 9393 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)CC 7a_100000210810_100000742827 [0,2,0,0,0,0|2,0,0]=4 9394 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)NC 34a_100000210810_100000731044 [0,2,0,0,0,0|2,0,0]=4 9395 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)NC 7a_100000210810_100000209862 [0,2,0,0,0,0|2,0,0]=4 9396 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100000759014 [0,2,0,0,0,0|2,0,0]=4 9397 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)OC 34a_100000210810_100000211248 [0,2,0,0,0,0|1,0,0]=3 9398 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000759014 [0,2,0,0,0,0|1,0,0]=3 9399 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)OC 7a_100000210810_100000211248 [0,2,0,0,0,0|1,0,0]=3 9400 B18R0.189 CCCCCCCCCCCCOC(F)C(=O)NC 34a_100000210810_100009813575 [0,2,0,0,0,0|2,0,0]=4 9401 B18R0.189 CCCCCCCCCCCCOC(F)C(=O)NC 7a_100000210810_100009813575 [0,2,0,0,0,0|2,0,0]=4 9402 B18R0.189 CCCCCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000759014 [0,2,0,0,0,0|2,0,0]=4 9403 B18R0.189 CCCCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000759014 [0,2,0,0,0,0|1,0,0]=3 9404 B18R0.189 CCCCCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000759014 [0,2,0,0,0,0|2,0,0]=4 9405 B18R0.189 CCCCCCCCCCCNCC(=O)C(=O)OC 34a_200011215754_100011610305 [0,2,0,0,0,0|1,0,1]=4 9406 B18R0.189 CCCCCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100011215454 [0,2,0,0,0,0|2,0,0]=4 9407 B18R0.189 CCCCCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100011215454 [0,2,0,0,0,0|2,0,0]=4 9408 B18R0.189 CCCCCCCCCCCNCC(C)C(=O)OC 34a_200011215754_100000698445 [0,2,0,0,0,0|1,0,0]=3 9409 B18R0.189 CCCCCCCCCCCOCC(=O)C(=O)OC 34a_100000210809_100011610305 [0,2,0,0,0,0|1,0,1]=4 9410 B18R0.189 CCCCCCCCCCCOCC(C)C(=O)OC 34a_100000210809_100000698445 [0,2,0,0,0,0|1,0,0]=3 9411 B18R0.189 CCCCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011215454 [0,2,0,0,0,0|1,0,0]=3 9412 B18R0.189 CCCCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100011215454 [0,2,0,0,0,0|1,0,0]=3 9413 B18R0.189 CCCCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011215454 [0,2,0,0,0,0|1,0,0]=3 9414 B18R0.189 CCCCCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100011215454 [0,2,0,0,0,0|2,0,0]=4 9415 B18R0.189 CCCCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215454 [0,2,0,0,0,0|1,0,0]=3 9416 B18R0.189 CCCCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100011215454 [0,2,0,0,0,0|1,0,1]=4 9417 B18R0.189 CCCCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100011215454 [0,2,0,0,0,0|1,0,0]=3 9418 B18R0.189 CCCCCCCCCCNCCC(C)C(=O)OC 2230a_100000684558_100000034942 [0,2,0,0,0,0|1,0,0]=3 9419 B18R0.189 CCCCCCCCCCNCCC(C)C(=O)OC 34a_100000684558_100000034942 [0,2,0,0,0,0|1,0,0]=3 9420 B18R0.189 CCCCCCCCCCOCCC(C)C(=O)OC 34a_100000210711_100000034942 [0,2,0,0,0,0|1,0,0]=3 9421 B18R0.189 CCCCCCCCCCOCCC(C)C(=O)OC 7a_100000210711_100000034942 [0,2,0,0,0,0|1,0,0]=3 9422 B18R0.189 CCCCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210320 [0,2,0,0,0,0|1,0,0]=3 9423 B18R0.189 CCOCCCCCCCCCOC(C)C(=O)OC 34a_100009875440_100000211248 [0,2,0,0,0,0|2,0,0]=4 9424 B18R0.189 CCOCCCCCCCCCOC(C)C(=O)OC 7a_100009875440_100000211248 [0,2,0,0,0,0|2,0,0]=4 9425 B18R0.189 COC(=O)C(C)CCNCCCCCCCCCO 2230a_100000078944_100000034942 [0,2,0,0,0,0|2,0,0]=4 9426 B18R0.189 COC(=O)C(C)CCNCCCCCCCCCO 34a_100000078944_100000034942 [0,2,0,0,0,0|2,0,0]=4 9427 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCBr 34a_100009813782_100000034942 [0,2,0,0,0,0|2,0,0]=4 9428 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCBr 7a_100009813782_100000034942 [0,2,0,0,0,0|2,0,0]=4 9429 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCCl 34a_100009868337_100000034942 [0,2,0,0,0,0|2,0,0]=4 9430 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCCl 7a_100009868337_100000034942 [0,2,0,0,0,0|2,0,0]=4 9431 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCN 34a_100000078944_100000034942 [0,2,0,0,0,0|2,0,0]=4 9432 B18R0.189 COC(=O)C(C)CCSCCCCCCCCCO 62a_100000034942_100009813782 [0,2,0,0,0,0|2,0,0]=4 9433 B18R0.189 COC(=O)C(C)CCSCCCCCCCCCO 62a_100009813782_100000034942 [0,2,0,0,0,0|2,0,0]=4 9434 B18R0.189 COC(=O)C(C)CNCCCCCCCCCCO 34a_100000066964_100000698445 [0,2,0,0,0,0|2,0,0]=4 9435 B18R0.189 COC(=O)C(C)COCCCCCCCCCCBr 34a_100009813290_100000698445 [0,2,0,0,0,0|2,0,0]=4 9436 B18R0.189 COC(=O)C(C)COCCCCCCCCCCCl 34a_200000033068_100000698445 [0,2,0,0,0,0|2,0,0]=4 9437 B18R0.189 COC(=O)C(C)COCCCCCCCCCCN 34a_100000066964_100000698445 [0,2,0,0,0,0|2,0,0]=4 9438 B18R0.189 COC(=O)C(C)COCCCCCCCCCCO 34a_100000749362_100009813290 [0,2,0,0,0,0|2,0,0]=4 9439 B18R0.189 COC(=O)C(C)COCCCCCCCCCCO 7a_100000749362_100009813290 [0,2,0,0,0,0|2,0,0]=4 9440 B18R0.189 COC(=O)C(C)CSCCCCCCCCCCO 62a_100000698445_200000033068 [0,2,0,0,0,0|2,0,0]=4 9441 B18R0.189 COC(=O)C(C)CSCCCCCCCCCCO 62a_100009813290_100000698445 [0,2,0,0,0,0|2,0,0]=4 9442 B18R0.189 COC(=O)C(C)OCCCCCCCCCCCBr 34a_100009812471_100000211248 [0,2,0,0,0,0|2,0,0]=4 9443 B18R0.189 COC(=O)C(C)OCCCCCCCCCCCBr 7a_100009812471_100000211248 [0,2,0,0,0,0|2,0,0]=4 9444 B18R0.189 COC(=O)C(C)OCCCCCCCCCCCO 34a_100011215400_100009812471 [0,2,0,0,0,0|2,0,0]=4 9445 B18R0.189 COC(=O)C(C)SCCCCCCCCCCCO 62a_100009812471_100000211248 [0,2,0,0,0,0|2,0,0]=4 9446 B18R0.189 COC(=O)C(F)COCCCCCCCCCCO 34a_200009849844_100009813290 [0,2,0,0,0,0|2,0,0]=4 9447 B18R0.189 COC(=O)[C@H](N)COCCCCCCCCCCO 34a_100000003586_100009813290 [0,2,0,0,0,0|2,0,0]=4 9448 B18R0.1436 CCCC(=O)CCCCCCCCCCC(=O)OC 1458a_100000211992_100009812566 [0,2,0,0,0,0|0,0,1]=3 9449 B18R0.1436 CCCC(=O)CCCCCCCCCCC(=O)OC 1458a_100016987261_100000210303 [0,2,0,0,0,0|0,0,1]=3 9450 B18R0.1436 CCCC(=O)COCCCCCCCCC(=O)OC 7a_100000035544_100000747444 [0,2,0,0,0,0|1,0,1]=4 9451 B18R0.1436 CCCC(=O)CSCCCCCCCCC(=O)OC 62a_100000747444_100010282707 [0,2,0,0,0,0|1,0,1]=4 9452 B18R0.1436 CCCC(=O)CSCCCCCCCCC(=O)OC 62a_100010282707_100000747444 [0,2,0,0,0,0|1,0,1]=4 9453 B18R0.1436 CCCC(C)CCCOCCCCCCC(=O)OC 34a_100011713154_100009815986 [0,2,0,0,0,0|1,0,0]=3 9454 B18R0.1436 CCCC(C)CCCOCCCCCCC(=O)OC 7a_100011713154_100009815986 [0,2,0,0,0,0|1,0,0]=3 9455 B18R0.1436 CCCC(C)CCOCCCCCCCC(=O)OC 34a_100011217855_100010004213 [0,2,0,0,0,0|1,0,0]=3 9456 B18R0.1436 CCCC(C)CCOCCCCCCCC(=O)OC 7a_100011217855_100010004213 [0,2,0,0,0,0|1,0,0]=3 9457 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 34a_100000035544_100011216630 [0,2,0,0,0,0|1,0,0]=3 9458 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 34a_100000688023_100010282707 [0,2,0,0,0,0|1,0,0]=3 9459 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 7a_100000035544_100011216630 [0,2,0,0,0,0|1,0,0]=3 9460 B18R0.1436 CCCC(C)COCCCCCCCCC(=O)OC 7a_100000688023_100010282707 [0,2,0,0,0,0|1,0,0]=3 9461 B18R0.1436 CCCC(C)CSCCCCCCCCC(=O)OC 62a_100010282707_100011216630 [0,2,0,0,0,0|1,0,0]=3 9462 B18R0.1436 CCCC(C)CSCCCCCCCCC(=O)OC 62a_100011216630_100010282707 [0,2,0,0,0,0|1,0,0]=3 9463 B18R0.1436 CCCC(C)NCCCCCCCCCC(=O)OC 2230a_100000741246_100009813843 [0,2,0,0,0,0|1,0,0]=3 9464 B18R0.1436 CCCC(C)OCCCCCCCCCC(=O)OC 34a_100000764384_100009813843 [0,2,0,0,0,0|1,0,0]=3 9465 B18R0.1436 CCCC(C)OCCCCCCCCCC(=O)OC 7a_100000764384_100009813843 [0,2,0,0,0,0|1,0,0]=3 9466 B18R0.1436 CCCC(C)SCCCCCCCCCC(=O)OC 62a_100000766640_100009813843 [0,2,0,0,0,0|1,0,0]=3 9467 B18R0.1436 CCCN(C)CCCCCCCCCCC(=O)OC 2230a_100000747261_100009812566 [0,2,0,0,0,0|1,0,0]=3 9468 B18R0.1436 CCCN(C)CCCCCCCCCCC(=O)OC 269982a_100000747261_100009812566 [0,2,0,0,0,0|1,0,0]=3 9469 B18R0.1436 CCC[C@H](N)CCOCCCCCCCC(=O)OC 34a_100015193777_100010004213 [0,2,0,0,0,0|1,0,0]=3 9470 B18R0.1436 CCC[C@H](N)COCCCCCCCCC(=O)OC 34a_100000732646_100010282707 [0,2,0,0,0,0|1,0,0]=3 9471 B18R0.1436 CCNC(=O)CCCCCCCCCCC(=O)OC 11a_100015525214_100016987261 [0,2,0,0,0,0|1,0,1]=4 9472 B18R0.1436 CCNC(=O)CCCCCCCCCCC(=O)OC 240690a_100015525214_100016987261 [0,2,0,0,0,0|1,0,1]=4 9473 B18R0.1436 CCOC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_100009827693 [0,2,0,0,0,0|1,0,1]=4 9474 B18R0.1436 COC(=O)CCCCCCCCCCC(=O)CCF 1458a_100016987261_100011217306 [0,2,0,0,0,0|1,0,1]=4 9475 B18R0.1436 COC(=O)CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009812566 [0,2,0,0,0,0|1,0,1]=4 9476 B18R0.1436 COC(=O)CCCCCCCCCCC(=O)CCO 1458a_100016987261_100000211926 [0,2,0,0,0,0|1,0,1]=4 9477 B18R0.1436 COC(=O)CCCCCCCCCCC(=O)CSC 1458a_100000184570_100009812566 [0,2,0,0,0,0|1,0,1]=4 9478 B18R0.1436 COC(=O)CCCCCCCCCCN(C)CCO 2230a_100000210263_100009812566 [0,2,0,0,0,0|2,0,0]=4 9479 B18R0.1436 COC(=O)CCCCCCCCCCN(C)CCO 269982a_100000210263_100009812566 [0,2,0,0,0,0|2,0,0]=4 9480 B18R0.1436 COC(=O)CCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100009813843 [0,2,0,0,0,0|2,0,0]=4 9481 B18R0.1436 COC(=O)CCCCCCCCCN[C@H](C)CCO 34a_100000706166_100009813843 [0,2,0,0,0,0|2,0,0]=4 9482 B18R0.1436 COC(=O)CCCCCCCCCOC(C)CCBr 34a_100012276601_100009813843 [0,2,0,0,0,0|2,0,0]=4 9483 B18R0.1436 COC(=O)CCCCCCCCCSC(C)CCO 62a_100009893172_100009813843 [0,2,0,0,0,0|2,0,0]=4 9484 B18R0.1436 COC(=O)CCCCCCCCOCC(C)CCN 34a_106354213184_100010282707 [0,2,0,0,0,0|2,0,0]=4 9485 B18R0.1436 COCC(=O)CCCCCCCCCCC(=O)OC 1458a_100000210968_100009812566 [0,2,0,0,0,0|1,0,1]=4 9486 B18R0.1436 COCC(C)SCCCCCCCCCC(=O)OC 62a_100000765312_100009813843 [0,2,0,0,0,0|2,0,0]=4 9487 B18R0.1436 COCC(N)COCCCCCCCCC(=O)OC 34a_100000724102_100010282707 [0,2,0,0,0,0|2,0,0]=4 9488 B18R0.1436 COCC(O)CNCCCCCCCCC(=O)OC 2230a_100000756049_100010282707 [0,2,0,0,0,0|2,0,0]=4 9489 B18R0.1436 COCC(O)CNCCCCCCCCC(=O)OC 34a_100000756049_100010282707 [0,2,0,0,0,0|2,0,0]=4 9490 B18R0.1436 COCC(O)COCCCCCCCCC(=O)OC 34a_100000035544_100011215053 [0,2,0,0,0,0|2,0,0]=4 9491 B18R0.1436 COCC(O)COCCCCCCCCC(=O)OC 7a_100000035544_100011215053 [0,2,0,0,0,0|2,0,0]=4 9492 B18R0.1436 COCC(O)CSCCCCCCCCC(=O)OC 62a_100010282707_100011215053 [0,2,0,0,0,0|2,0,0]=4 9493 B18R0.1436 COCC(O)CSCCCCCCCCC(=O)OC 62a_100011215053_100010282707 [0,2,0,0,0,0|2,0,0]=4 9494 B18R0.1436 COC[C@@H](C)NCCCCCCCCCC(=O)OC 2230a_100000764878_100009813843 [0,2,0,0,0,0|2,0,0]=4 9495 B18R0.1436 COC[C@@H](C)OCCCCCCCCCC(=O)OC 34a_100011934205_100009813843 [0,2,0,0,0,0|2,0,0]=4 9496 B18R0.11627 CCCCCCCCCC(=O)CCCCC(=O)OC 1458a_100000210558_100000204269 [0,2,0,0,0,0|0,0,1]=3 9497 B18R0.11627 CCCCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210670 [0,2,0,0,0,0|0,0,1]=3 9498 B18R0.11627 CCCCCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210670 [0,2,0,0,0,0|1,0,1]=4 9499 B18R0.11627 CCCCCCCCCC(=O)CCOCC(=O)OC 1458a_100000210558_100000090808 [0,2,0,0,0,0|1,0,1]=4 9500 B18R0.11627 CCCCCCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210558 [0,2,0,0,0,0|1,0,1]=4 9501 B18R0.11627 CCCCCCCCCC(C)CNCCC(=O)NC 270004a_100000738227_200011218516 [0,2,0,0,0,0|2,0,0]=4 9502 B18R0.11627 CCCCCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100011215753 [0,2,0,0,0,0|2,0,0]=4 9503 B18R0.11627 CCCCCCCCCC(C)OCCCC(=O)NC 34a_100011218016_100000741757 [0,2,0,0,0,0|2,0,0]=4 9504 B18R0.11627 CCCCCCCCCC(C)OCCCC(=O)NC 7a_100011218016_100000741757 [0,2,0,0,0,0|2,0,0]=4 9505 B18R0.11627 CCCCCCCCCC(C)OCCCC(=O)OC 34a_100011218016_100000742333 [0,2,0,0,0,0|1,0,0]=3 9506 B18R0.11627 CCCCCCCCCC(C)OCCCC(=O)OC 7a_100011218016_100011218270 [0,2,0,0,0,0|1,0,0]=3 9507 B18R0.11627 CCCCCCCCCN(C)CCCCC(=O)OC 2230a_100000232482_100000204269 [0,2,0,0,0,0|1,0,0]=3 9508 B18R0.11627 CCCCCCCCCN(C)CCCCC(=O)OC 269982a_100000232482_100000204269 [0,2,0,0,0,0|1,0,0]=3 9509 B18R0.11627 CCCCCCCCCN(C)CCOCC(=O)OC 2230a_100000232482_100000090808 [0,2,0,0,0,0|2,0,0]=4 9510 B18R0.11627 CCCCCCCCNC(=O)CCCCC(=O)OC 11a_100000229939_100000695723 [0,2,0,0,0,0|1,0,1]=4 9511 B18R0.11627 CCCCCCCCNC(=O)CCCCC(=O)OC 1626a_100000229939_100000695723 [0,2,0,0,0,0|1,0,1]=4 9512 B18R0.11627 CCCCCCCCNC(=O)CCCCC(=O)OC 240690a_100000229939_100000695723 [0,2,0,0,0,0|1,0,1]=4 9513 B18R0.11627 CCCCCCCCNC(=O)CCCCC(=O)OC 527a_100000229939_100000695723 [0,2,0,0,0,0|1,0,1]=4 9514 B18R0.11627 COC(=O)CCCCC(=O)CCCCCCCCO 1458a_100000695723_100000033203 [0,2,0,0,0,0|1,0,1]=4 9515 B18R0.15765 CCC(=O)CCCCCCCCCCCC(=O)OC 1458a_100000210414_100010983606 [0,2,0,0,0,0|0,0,1]=3 9516 B18R0.15765 CCC(=O)COCCCCCCCCCC(=O)OC 34a_100000725409_100009813843 [0,2,0,0,0,0|1,0,1]=4 9517 B18R0.15765 CCC(=O)CSCCCCCCCCCC(=O)OC 62a_100000747405_100009813843 [0,2,0,0,0,0|1,0,1]=4 9518 B18R0.15765 CCC(=O)NCCCCCCCCCCC(=O)OC 188690a_202495363284_100000210414 [0,2,0,0,0,0|1,0,1]=4 9519 B18R0.15765 CCC(C)CCCCCOCCCCCC(=O)OC 7a_200000035636_100009816466 [0,2,0,0,0,0|1,0,0]=3 9520 B18R0.15765 CCC(C)CCCOCCCCCCCC(=O)OC 7a_100011216074_100010004213 [0,2,0,0,0,0|1,0,0]=3 9521 B18R0.15765 CCC(C)CCNCCCCCCCCC(=O)OC 2230a_100020591266_100010282707 [0,2,0,0,0,0|1,0,0]=3 9522 B18R0.15765 CCC(C)CCOCCCCCCCCC(=O)OC 7a_100011215188_100010282707 [0,2,0,0,0,0|1,0,0]=3 9523 B18R0.15765 CCC(C)CNCCCCCCCCCC(=O)OC 2230a_100020588543_100009813843 [0,2,0,0,0,0|1,0,0]=3 9524 B18R0.15765 CCC(C)CSCCCCCCCCCC(=O)OC 62a_100000748023_100009813843 [0,2,0,0,0,0|1,0,0]=3 9525 B18R0.15765 CCC(C)NCCCCCCCCCCC(=O)OC 2230a_100000209981_100009812566 [0,2,0,0,0,0|1,0,0]=3 9526 B18R0.15765 CCC(C)OCCCCCCCCCCC(=O)OC 34a_100011003013_100011215416 [0,2,0,0,0,0|1,0,0]=3 9527 B18R0.15765 CCC(C)OCCCCCCCCCCC(=O)OC 7a_100000210228_100009812566 [0,2,0,0,0,0|1,0,0]=3 9528 B18R0.15765 CCC(C)OCCCCCCCCCCC(=O)OC 7a_100011003013_100000758301 [0,2,0,0,0,0|1,0,0]=3 9529 B18R0.15765 CCC(C)SCCCCCCCCCCC(=O)OC 62a_100000758301_100009812566 [0,2,0,0,0,0|1,0,0]=3 9530 B18R0.15765 CCC(O)CNCCCCCCCCCC(=O)OC 2230a_100011218483_100009813843 [0,2,0,0,0,0|1,0,0]=3 9531 B18R0.15765 CCC(O)CSCCCCCCCCCC(=O)OC 62a_100011218378_100009813843 [0,2,0,0,0,0|1,0,0]=3 9532 B18R0.15765 CCN(C)CCCCCCCCCCCC(=O)OC 2230a_100000225621_100010983606 [0,2,0,0,0,0|1,0,0]=3 9533 B18R0.15765 CCN(C)CCCCCCCCCCCC(=O)OC 269982a_100000225621_100010983606 [0,2,0,0,0,0|1,0,0]=3 9534 B18R0.15765 CCN(C)CCCOCCCCCCCC(=O)OC 7a_100011022521_100015186262 [0,2,0,0,0,0|2,0,0]=4 9535 B18R0.15765 CCN(C)CCCSCCCCCCCC(=O)OC 62a_100010004213_100015186262 [0,2,0,0,0,0|2,0,0]=4 9536 B18R0.15765 CC[C@H](C)COCCCCCCCCCC(=O)OC 7a_100009816381_100009813843 [0,2,0,0,0,0|1,0,0]=3 9537 B18R0.15765 CC[C@H](C)CSCCCCCCCCCC(=O)OC 62a_100009816398_100009813843 [0,2,0,0,0,0|1,0,0]=3 9538 B18R0.15765 COC(=O)CCCCCCCCCCCC(=O)CO 1458a_100000210174_100010983606 [0,2,0,0,0,0|1,0,1]=4 9539 B18R0.15765 COC(=O)CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100009812566 [0,2,0,0,0,0|2,0,0]=4 9540 B18R0.15765 COC(=O)CCCCCCCCCCOC(C)CF 34a_100016041109_100009812566 [0,2,0,0,0,0|2,0,0]=4 9541 B18R0.15765 COC(=O)CCCCCCCCCCOC(C)CF 7a_100016041109_100009812566 [0,2,0,0,0,0|2,0,0]=4 9542 B18R0.15765 COC(=O)CCCCCCCCCCOC(C)CN 34a_100000210904_100009812566 [0,2,0,0,0,0|2,0,0]=4 9543 B18R0.15765 COC(=O)CCCCCCCCCCOC(C)CO 34a_100011003013_100012180447 [0,2,0,0,0,0|2,0,0]=4 9544 B18R0.15765 COC(=O)CCCCCCCCCCOC(C)CO 7a_100011003013_100012180447 [0,2,0,0,0,0|2,0,0]=4 9545 B18R0.15765 COC(=O)CCCCCCCCCCSC(C)CO 62a_100012180447_100009812566 [0,2,0,0,0,0|2,0,0]=4 9546 B18R0.15765 COC(=O)CCCCCCCCCCSC(C)OC 62a_100009879195_100009812566 [0,2,0,0,0,0|2,0,0]=4 9547 B18R0.15765 COC(=O)CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100009812566 [0,2,0,0,0,0|2,0,0]=4 9548 B18R0.15765 COC(=O)CCCCCCCCCNCC(C)CO 34a_100000744482_100009813843 [0,2,0,0,0,0|2,0,0]=4 9549 B18R0.15765 COC(=O)CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100009813843 [0,2,0,0,0,0|2,0,0]=4 9550 B18R0.15765 COC(=O)CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100009813843 [0,2,0,0,0,0|2,0,0]=4 9551 B18R0.15765 COC(=O)CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813843 [0,2,0,0,0,0|2,0,0]=4 9552 B18R0.15765 COC(=O)CCCCCCCCCOCC(C)CN 34a_100000744482_100009813843 [0,2,0,0,0,0|2,0,0]=4 9553 B18R0.15765 COC(=O)CCCCCCCCCOCC(C)OC 34a_100000690652_100009813843 [0,2,0,0,0,0|2,0,0]=4 9554 B18R0.15765 COC(=O)CCCCCCCCCOCC(Cl)CCl 34a_100000033668_100009813843 [0,2,0,0,0,0|2,0,0]=4 9555 B18R0.15765 COC(=O)CCCCCCCCCOC[C@H](F)CN 34a_100015665980_100009813843 [0,2,0,0,0,0|2,0,0]=4 9556 B18R0.15765 COC(=O)CCCCCCCCCSCC(O)CO 62a_100011219619_100009813843 [0,2,0,0,0,0|2,0,0]=4 9557 B18R0.15765 COC(=O)CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100009813843 [0,2,0,0,0,0|2,0,0]=4 9558 B18R0.15765 COC(=O)CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100009813843 [0,2,0,0,0,0|2,0,0]=4 9559 B18R0.15765 COC(=O)CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100009813843 [0,2,0,0,0,0|2,0,0]=4 9560 B18R0.15765 COC(=O)CCCCCCCCNCCC(C)CO 2230a_106354213184_100010282707 [0,2,0,0,0,0|2,0,0]=4 9561 B18R0.15765 COC(=O)CCCCCCCCNCCC(C)CO 34a_106354213184_100010282707 [0,2,0,0,0,0|2,0,0]=4 9562 B18R0.15765 COC(=O)CCCCCCCCOCCC(C)OC 7a_100000764861_100010282707 [0,2,0,0,0,0|2,0,0]=4 9563 B18R0.15765 COC(=O)CCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100010004213 [0,2,0,0,0,0|2,0,0]=4 9564 B18R0.6329 CC(C)(C)CNCCCCCCCCCCC(=O)N 2230a_100000743828_200010167045 [0,2,0,0,0,0|2,0,0]=4 9565 B18R0.6329 CC(C)(C)CSCCCCCCCCCCC(=O)N 62a_100011219605_200010167045 [0,2,0,0,0,0|2,0,0]=4 9566 B18R0.6329 CC(C)(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011219605 [0,2,0,0,0,0|2,0,0]=4 9567 B18R0.6329 CC(C)(F)CNCCCCCCCCCCC(=O)N 2230a_100020643315_200010167045 [0,2,0,0,0,0|2,0,0]=4 9568 B18R0.6329 CC(C)(F)COCCCCCCCCCCC(=O)N 34a_100000716592_200010167045 [0,2,0,0,0,0|2,0,0]=4 9569 B18R0.6329 CC(C)(F)CSCCCCCCCCCCC(=O)N 62a_100011997219_200010167045 [0,2,0,0,0,0|2,0,0]=4 9570 B18R0.6329 CC(C)(F)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011997219 [0,2,0,0,0,0|2,0,0]=4 9571 B18R0.6329 CC(C)(O)CNCCCCCCCCCCC(=O)N 2230a_100000751335_200010167045 [0,2,0,0,0,0|2,0,0]=4 9572 B18R0.6329 CC(C)(O)CSCCCCCCCCCCC(=O)N 62a_100000764493_200010167045 [0,2,0,0,0,0|2,0,0]=4 9573 B18R0.6329 CC(C)(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000764493 [0,2,0,0,0,0|2,0,0]=4 9574 B18R0.6329 CC(F)(F)COCCCCCCCCCCC(=O)N 34a_100000068830_200010167045 [0,2,0,0,0,0|2,0,0]=4 9575 B18R0.19881 CCC(C)C(=O)CCCCCCCCCCC(=O)N 1458a_100011192722_200010167045 [0,2,0,0,0,0|1,0,1]=4 9576 B18R0.19881 CCC(C)N(C)CCCCCCCCCCC(=O)N 2230a_100000741768_200010167045 [0,2,0,0,0,0|2,0,0]=4 9577 B18R0.19881 CCC(C)N(C)CCCCCCCCCCC(=O)N 269982a_100000741768_200010167045 [0,2,0,0,0,0|2,0,0]=4 9578 B18R0.19881 CCC(O)C(=O)CCCCCCCCCCC(=O)N 1458a_100011196387_200010167045 [0,2,0,0,0,0|1,0,1]=4 9579 B18R0.19982 CCCN(CC)CCCCCCCCCCC(=O)N 2230a_100000226822_200010167045 [0,2,0,0,0,0|2,0,0]=4 9580 B18R0.19982 CCCN(CC)CCCCCCCCCCC(=O)N 269982a_100000226822_200010167045 [0,2,0,0,0,0|2,0,0]=4 9581 B18R0.942 CC(C)C(C)NCCCCCCCCCCC(=O)N 2230a_100000211541_200010167045 [0,2,0,0,0,0|2,0,0]=4 9582 B18R0.942 CC(C)C(C)OCCCCCCCCCCC(=O)N 7a_100000748068_200010167045 [0,2,0,0,0,0|2,0,0]=4 9583 B18R0.3150 C=C[C@H](NCCCCCCCCCCCC)C(=O)O 269956a_100016992060_100000759014 [0,2,0,0,0,0|1,0,0]=3 9584 B18R0.3150 C=C[C@H](NCCCCCCCCCCCO)C(=O)O 269956a_100016992060_100009812471 [0,2,0,0,0,0|2,0,0]=4 9585 B18R0.3150 CCCCCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011215052 [0,2,0,0,0,0|2,0,0]=4 9586 B18R0.3150 CCCCCCCCCCCCNC(C#N)C(=O)N 270004a_100000039599_100011218549 [0,2,0,0,0,0|2,0,0]=4 9587 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 2230a_100000210451_100000750255 [0,2,0,0,0,0|2,0,0]=4 9588 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011215052 [0,2,0,0,0,0|2,0,0]=4 9589 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 34a_100000210451_100000750255 [0,2,0,0,0,0|2,0,0]=4 9590 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100000759014 [0,2,0,0,0,0|2,0,0]=4 9591 B18R0.3150 CCCCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000759014 [0,2,0,0,0,0|1,0,0]=3 9592 B18R0.3150 CCCCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215052 [0,2,0,0,0,0|2,0,0]=4 9593 B18R0.3150 CCCCCCCCCCCCN[C@@H](CO)C(=O)N 270004a_100000729942_100011218549 [0,2,0,0,0,0|2,0,0]=4 9594 B18R0.3150 CCCCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000759014 [0,2,0,0,0,0|2,0,0]=4 9595 B18R0.3150 CCCCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000759014 [0,2,0,0,0,0|1,0,0]=3 9596 B18R0.3150 CCCCCCCCCCCCOC(CC)C(=O)N 34a_100000210810_100000750255 [0,2,0,0,0,0|2,0,0]=4 9597 B18R0.3150 CCCCCCCCCCCCOC(CC)C(=O)N 7a_100000210810_100000750255 [0,2,0,0,0,0|2,0,0]=4 9598 B18R0.3150 CCCCCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100000759014 [0,2,0,0,0,0|2,0,0]=4 9599 B18R0.3150 CC[C@@H](NCCCCCCCCCCCO)C(=O)O 269956a_100000747097_100009812471 [0,2,0,0,0,0|2,0,0]=4 9600 B18R0.3150 O=C(O)C(CO)NCCCCCCCCCCCO 269956a_100000187304_100009812471 [0,2,0,0,0,0|2,0,0]=4 9601 B18R0.19914 CC(C)(CNCCCCCCCCCCO)C(=O)O 269956a_100000693527_100009813290 [0,2,0,0,0,0|2,0,0]=4 9602 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000210451_100000702505 [0,2,0,0,0,0|2,0,0]=4 9603 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215052 [0,2,0,0,0,0|2,0,0]=4 9604 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000210451_100000702505 [0,2,0,0,0,0|2,0,0]=4 9605 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000759014 [0,2,0,0,0,0|2,0,0]=4 9606 B18R0.19914 CCCCCCCCCCCCNC(F)(F)C(=O)[O-] 34a_100000210451_100020612412 [0,2,0,0,0,0|1,0,1]=4 9607 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000759014 [0,2,0,0,0,0|2,0,0]=4 9608 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000210810_100000075568 [0,2,0,0,0,0|2,0,0]=4 9609 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000759014 [0,2,0,0,0,0|2,0,0]=4 9610 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210810_100000702505 [0,2,0,0,0,0|2,0,0]=4 9611 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000759014 [0,2,0,0,0,0|2,0,0]=4 9612 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210810_100000702505 [0,2,0,0,0,0|2,0,0]=4 9613 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000759014 [0,2,0,0,0,0|2,0,0]=4 9614 B18R0.19914 CCCCCCCCCCCCOC(F)(F)C(=O)N 7a_100000210810_100009811971 [0,2,0,0,0,0|2,0,0]=4 9615 B18R0.19914 CCCCCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210810_100020612412 [0,2,0,0,0,0|1,0,1]=4 9616 B18R0.19914 CCCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000759014 [0,2,0,0,0,0|2,0,0]=4 9617 B18R0.19914 CCCCCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000759014 [0,2,0,0,0,0|2,0,0]=4 9618 B18R0.19914 CCCCCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000759014 [0,2,0,0,0,0|1,0,1]=4 9619 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100011215454 [0,2,0,0,0,0|2,0,0]=4 9620 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100011215454 [0,2,0,0,0,0|2,0,0]=4 9621 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 34a_200011215754_200009895572 [0,2,0,0,0,0|2,0,0]=4 9622 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100011215454 [0,2,0,0,0,0|1,0,0]=3 9623 B18R0.19914 CCCCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100011215454 [0,2,0,0,0,0|1,0,0]=3 9624 B18R0.19914 CCCCCCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100011215454 [0,2,0,0,0,0|2,0,0]=4 9625 B18R0.19914 CCCCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210809_200009895572 [0,2,0,0,0,0|2,0,0]=4 9626 B18R0.19914 CCCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100011215454 [0,2,0,0,0,0|2,0,0]=4 9627 B18R0.19914 O=C(O)C(F)(F)CNCCCCCCCCCCO 269956a_100000734215_100009813290 [0,2,0,0,0,0|2,0,0]=4 9628 B18R0.17738 CCC(C)(C)NCCCCCCCCCCC(=O)N 2230a_100000211385_200010167045 [0,2,0,0,0,0|2,0,0]=4 9629 B18R0.17738 CCC(C)(C)OCCCCCCCCCCC(=O)N 7a_100000210230_200010167045 [0,2,0,0,0,0|2,0,0]=4 9630 B18R0.17738 CCC(C)(C)SCCCCCCCCCCC(=O)N 62a_100000032637_200010167045 [0,2,0,0,0,0|2,0,0]=4 9631 B18R0.17738 CCC(C)(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000032637 [0,2,0,0,0,0|2,0,0]=4 9632 B18R0.19778 C#CC(CC)OCCCCCCCCCCC(=O)N 34a_100000758843_200010167045 [0,2,0,0,0,0|2,0,0]=4 9633 B18R0.19778 C#CC(CC)OCCCCCCCCCCC(=O)N 7a_100000758843_200010167045 [0,2,0,0,0,0|2,0,0]=4 9634 B18R0.19778 C=CC(CC)OCCCCCCCCCCC(=O)N 34a_100000766422_200010167045 [0,2,0,0,0,0|2,0,0]=4 9635 B18R0.19778 C=CC(CC)OCCCCCCCCCCC(=O)N 7a_100000766422_200010167045 [0,2,0,0,0,0|2,0,0]=4 9636 B18R0.19778 CCC(CC)NCCCCCCCCCCC(=O)N 2230a_100000199018_200010167045 [0,2,0,0,0,0|2,0,0]=4 9637 B18R0.19778 CCC(CC)OCCCCCCCCCCC(=O)N 7a_100000688536_200010167045 [0,2,0,0,0,0|2,0,0]=4 9638 B18R0.19778 CCC(CC)SCCCCCCCCCCC(=O)N 62a_100000210505_200010167045 [0,2,0,0,0,0|2,0,0]=4 9639 B18R0.19778 CCC(CC)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210505 [0,2,0,0,0,0|2,0,0]=4 9640 B18R0.19778 CC[C@@H](CO)NCCCCCCCCCCC(=O)N 2230a_100000709445_200010167045 [0,2,0,0,0,0|2,0,0]=4 9641 B16R1.271 CCCCCCN1CCCCC1CCCO 2230a_100011934581_100000210314 [1,0,0,1,0,0|1,0,1]=4 9642 B16R1.271 CCCCCCN1CCCCC1CCCO 269982a_100011934581_100000210757 [1,0,0,1,0,0|1,0,1]=4 9643 B16R1.271 CCCCCCN1CCCCC1CCCO 34a_100011934581_100000210314 [1,0,0,1,0,0|1,0,1]=4 9644 B16R1.271 COCCC1CCCCN1CCCCC=O 2230a_100015186528_100000139335 [1,0,0,1,0,0|2,0,0]=4 9645 B16R1.271 COCCC1CCCCN1CCCCC=O 269982a_100015186528_100000139335 [1,0,0,1,0,0|2,0,0]=4 9646 B16R1.271 O=CCCCCN1CCCCC1CCCO 2230a_100011934581_100000139335 [1,0,0,1,0,0|2,0,0]=4 9647 B16R1.271 O=CCCCCN1CCCCC1CCCO 269982a_100011934581_100000139335 [1,0,0,1,0,0|2,0,0]=4 9648 B16R1.284 C=CCCCNC1CCCC1CCCCC 269862a_100000700776_200000198059 [1,0,0,1,0,0|2,0,0]=4 9649 B16R1.284 C=CCCCNC1CCCC1CCCCC 270004a_100000700776_200000198059 [1,0,0,1,0,0|2,0,0]=4 9650 B16R1.284 C=CCCNC1CCCC1CCCCCC 269862a_100015191253_100000189428 [1,0,0,1,0,0|2,0,0]=4 9651 B16R1.284 C=CCCNC1CCCC1CCCCCC 270004a_100015191253_100000189428 [1,0,0,1,0,0|2,0,0]=4 9652 B16R1.284 CCCCCC1CCCC1NCCCCO 269862a_100000750430_200000198059 [1,0,0,1,0,0|1,0,1]=4 9653 B16R1.284 CCCCCC1CCCC1NCCCCO 270004a_100000750430_200000198059 [1,0,0,1,0,0|1,0,1]=4 9654 B16R1.284 CCCCCCC1CCCC1NCCCO 269862a_100000182051_100000189428 [1,0,0,1,0,0|1,0,1]=4 9655 B16R1.284 CCCCCCC1CCCC1NCCCO 270004a_100000182051_100000189428 [1,0,0,1,0,0|1,0,1]=4 9656 B16R1.310 CCNC1CCCCCCCCCCC1=O 2230a_100015525214_200009990614 [1,0,0,1,0,0|1,0,0]=3 9657 B16R1.310 CCOC1CCCCCCCCCCC1=O 34a_100121572206_200009990614 [1,0,0,1,0,0|1,0,0]=3 9658 B16R1.310 CCSC1CCCCCCCCCCC1=O 62a_100000210202_200009990614 [1,0,0,1,0,0|1,0,0]=3 9659 B16R1.310 CCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210202 [1,0,0,1,0,0|1,0,0]=3 9660 B16R1.310 O=C1CCCCCCCCCCC1SCF 62a_100015361967_200009990614 [1,0,0,1,0,0|2,0,0]=4 9661 B16R1.310 O=C1CCCCCCCCCCC1SCF 62a_200009990614_100015361967 [1,0,0,1,0,0|2,0,0]=4 9662 B16R1.643 C=CCCCCCCCNC1CCCCC1 2230a_100000182618_100012355270 [1,0,0,1,0,0|2,0,0]=4 9663 B16R1.643 C=CCCCCCCCNC1CCCCC1 34a_100000182618_100012355270 [1,0,0,1,0,0|2,0,0]=4 9664 B16R1.643 C=CCCCCCCCOC1CCCCC1 34a_100000210231_100012355270 [1,0,0,1,0,0|2,0,0]=4 9665 B16R1.643 C=CCCCCCCCOC1CCCCC1 34a_100000730831_100000210327 [1,0,0,1,0,0|2,0,0]=4 9666 B16R1.643 C=CCCCCCCCOC1CCCCC1 7a_100000210231_100012355270 [1,0,0,1,0,0|2,0,0]=4 9667 B16R1.643 C=CCCCCCCCOC1CCCCC1 7a_100000730831_100000210327 [1,0,0,1,0,0|2,0,0]=4 9668 B16R1.643 C=CCCCCCCCSC1CCCCC1 62a_100000210327_100012355270 [1,0,0,1,0,0|2,0,0]=4 9669 B16R1.643 C=CCCCCCCCSC1CCCCC1 62a_100012355270_100000210327 [1,0,0,1,0,0|2,0,0]=4 9670 B16R1.643 C=CCCCCCCNCC1CCCCC1 2230a_100000210473_100011215473 [1,0,0,1,0,0|2,0,0]=4 9671 B16R1.643 C=CCCCCCCNCC1CCCCC1 34a_100000210473_100011215473 [1,0,0,1,0,0|2,0,0]=4 9672 B16R1.643 C=CCCCCCCOCC1CCCCC1 34a_100000212181_100011215473 [1,0,0,1,0,0|2,0,0]=4 9673 B16R1.643 C=CCCCCCCOCC1CCCCC1 34a_200011216477_100000211423 [1,0,0,1,0,0|2,0,0]=4 9674 B16R1.643 C=CCCCCCCOCC1CCCCC1 7a_100000212181_100011215473 [1,0,0,1,0,0|2,0,0]=4 9675 B16R1.643 C=CCCCCCCOCC1CCCCC1 7a_200011216477_100000211423 [1,0,0,1,0,0|2,0,0]=4 9676 B16R1.643 C=CCCCCCCSCC1CCCCC1 62a_100000211423_100011215473 [1,0,0,1,0,0|2,0,0]=4 9677 B16R1.643 C=CCCCCCCSCC1CCCCC1 62a_100011215473_100000211423 [1,0,0,1,0,0|2,0,0]=4 9678 B16R1.643 C=CCCCCCNCCC1CCCCC1 2230a_100000738074_100000700193 [1,0,0,1,0,0|2,0,0]=4 9679 B16R1.643 C=CCCCCCNCCC1CCCCC1 34a_100000738074_100000700193 [1,0,0,1,0,0|2,0,0]=4 9680 B16R1.643 C=CCCCCCOCCC1CCCCC1 34a_100011216702_100011209188 [1,0,0,1,0,0|2,0,0]=4 9681 B16R1.643 C=CCCCCCOCCC1CCCCC1 34a_100011217863_100000700193 [1,0,0,1,0,0|2,0,0]=4 9682 B16R1.643 C=CCCCCCOCCC1CCCCC1 7a_100011216702_100011273959 [1,0,0,1,0,0|2,0,0]=4 9683 B16R1.643 C=CCCCCCOCCC1CCCCC1 7a_100011217863_100000700193 [1,0,0,1,0,0|2,0,0]=4 9684 B16R1.643 C=CCCCCCSCCC1CCCCC1 62a_100000700193_100012355289 [1,0,0,1,0,0|2,0,0]=4 9685 B16R1.643 C=CCCCCCSCCC1CCCCC1 62a_100012355289_100000700193 [1,0,0,1,0,0|2,0,0]=4 9686 B16R1.643 C=CCCCCNCCCC1CCCCC1 2230a_100000703577_100011713725 [1,0,0,1,0,0|2,0,0]=4 9687 B16R1.643 C=CCCCCNCCCC1CCCCC1 2230a_100011211642_100011215482 [1,0,0,1,0,0|2,0,0]=4 9688 B16R1.643 C=CCCCCNCCCC1CCCCC1 34a_100000703577_100011713725 [1,0,0,1,0,0|2,0,0]=4 9689 B16R1.643 C=CCCCCNCCCC1CCCCC1 34a_100011211642_100011215482 [1,0,0,1,0,0|2,0,0]=4 9690 B16R1.643 C=CCCCCOCCCC1CCCCC1 34a_100000198086_100011215482 [1,0,0,1,0,0|2,0,0]=4 9691 B16R1.643 C=CCCCCOCCCC1CCCCC1 34a_100000766645_100011713725 [1,0,0,1,0,0|2,0,0]=4 9692 B16R1.643 C=CCCCCOCCCC1CCCCC1 7a_100000198086_100011215482 [1,0,0,1,0,0|2,0,0]=4 9693 B16R1.643 C=CCCCCOCCCC1CCCCC1 7a_100000766645_100011713725 [1,0,0,1,0,0|2,0,0]=4 9694 B16R1.643 C=CCCCCSCCCC1CCCCC1 62a_100011215482_100011713725 [1,0,0,1,0,0|2,0,0]=4 9695 B16R1.643 C=CCCCCSCCCC1CCCCC1 62a_100011713725_100011215482 [1,0,0,1,0,0|2,0,0]=4 9696 B16R1.643 C=CCCCOCCCCC1CCCCC1 34a_100011215267_100000757094 [1,0,0,1,0,0|2,0,0]=4 9697 B16R1.643 C=CCCCOCCCCC1CCCCC1 7a_100011215267_100000757094 [1,0,0,1,0,0|2,0,0]=4 9698 B16R1.643 CCCCCCCCCNC1C=CCCC1 2230a_100000212291_100000751183 [1,0,0,1,0,0|2,0,0]=4 9699 B16R1.643 CCCCCCCCCOC1C=CCCC1 34a_100011215024_100011214924 [1,0,0,1,0,0|2,0,0]=4 9700 B16R1.643 CCCCCCCCCOC1C=CCCC1 7a_100000210712_100000751183 [1,0,0,1,0,0|2,0,0]=4 9701 B16R1.643 CCCCCCCCCOC1CCCCO1 34a_100000033831_100011214924 [1,0,0,1,0,0|1,0,1]=4 9702 B16R1.643 CCCCCCCCCSC1C=CCCC1 62a_100000751183_100000210670 [1,0,0,1,0,0|2,0,0]=4 9703 B16R1.643 CCCCCCCCNCC1CCCCO1 2230a_100000174945_100000210759 [1,0,0,1,0,0|1,0,1]=4 9704 B16R1.643 CCCCCCCCNCC1CCCCO1 2230a_100000229939_100000211543 [1,0,0,1,0,0|1,0,1]=4 9705 B16R1.643 CCCCCCCCNCC1CCCCO1 34a_100000174945_100000210759 [1,0,0,1,0,0|1,0,1]=4 9706 B16R1.643 CCCCCCCCNCC1CCCCO1 34a_100000229939_100000211543 [1,0,0,1,0,0|1,0,1]=4 9707 B16R1.643 CCCCCCCCOCC1CCC=CO1 34a_100011217868_100000210759 [1,0,0,1,0,0|1,0,1]=4 9708 B16R1.643 CCCCCCCCOCC1CCCCO1 34a_100000210232_100000211543 [1,0,0,1,0,0|1,0,1]=4 9709 B16R1.643 CCCCCCCCOCC1CCCCO1 34a_100000211370_100000210759 [1,0,0,1,0,0|1,0,1]=4 9710 B16R1.643 CCCCCCCCOCC1CCCCO1 7a_100000210232_100000211543 [1,0,0,1,0,0|1,0,1]=4 9711 B16R1.643 CCCCCCCCOCC1CCCCO1 7a_100000211370_100000210759 [1,0,0,1,0,0|1,0,1]=4 9712 B16R1.643 CCCCCCCCSCC1CCCCO1 62a_100000210759_100000211543 [1,0,0,1,0,0|1,0,1]=4 9713 B16R1.643 CCCCCCCCSCC1CCCCO1 62a_100000211543_100000210317 [1,0,0,1,0,0|1,0,1]=4 9714 B16R1.643 CCCCCCCNCCC1CCCCO1 2230a_100015183643_100000210681 [1,0,0,1,0,0|1,0,1]=4 9715 B16R1.643 CCCCCCCNCCC1CCCCO1 34a_100015183643_100000210614 [1,0,0,1,0,0|1,0,1]=4 9716 B16R1.643 O=CCCCCCNCCC1CCCCC1 2230a_100000738074_100000139337 [1,0,0,1,0,0|1,0,0]=3 9717 B16R1.643 O=CCCCCCNCCC1CCCCO1 2230a_100015183643_100000139337 [1,0,0,1,0,0|2,0,0]=4 9718 B16R1.643 O=CCCCCCNCCC1CCOCC1 2230a_100000755988_100000139337 [1,0,0,1,0,0|2,0,0]=4 9719 B16R1.643 O=CCCCCCOCCC1CCCCC1 7a_100011217863_100000139337 [1,0,0,1,0,0|1,0,0]=3 9720 B16R1.643 O=CCCCCCOCCC1CCOCC1 7a_100011933979_100000139337 [1,0,0,1,0,0|2,0,0]=4 9721 B16R1.643 O=CCCCCCSCCC1CCCCC1 62a_100000139337_100012355289 [1,0,0,1,0,0|1,0,0]=3 9722 B16R1.643 O=CCCCCCSCCC1CCCCC1 62a_100012355289_100000139337 [1,0,0,1,0,0|1,0,0]=3 9723 B16R1.643 O=CCCCCCSCCC1CCOCC1 62a_100000139337_100011934994 [1,0,0,1,0,0|2,0,0]=4 9724 B16R1.643 O=CCCCCCSCCC1CCOCC1 62a_100011934994_100000139337 [1,0,0,1,0,0|2,0,0]=4 9725 B16R1.643 O=CCCCCCSCCN1CCCCC1 62a_100000139337_100000739454 [1,0,0,1,0,0|2,0,0]=4 9726 B16R1.643 O=CCCCCCSCCN1CCCCC1 62a_100000739454_100000139337 [1,0,0,1,0,0|2,0,0]=4 9727 B16R1.643 O=CCCCCCSCOC1CCCCC1 62a_100000139337_100011935260 [1,0,0,1,0,0|2,0,0]=4 9728 B16R1.643 O=CCCCCCSCOC1CCCCC1 62a_100011935260_100000139337 [1,0,0,1,0,0|2,0,0]=4 9729 B16R1.643 O=CCCCCNCCCC1CCCCC1 2230a_100011211642_100000139335 [1,0,0,1,0,0|1,0,0]=3 9730 B16R1.643 O=CCCCCOCCCC1CCCCC1 7a_100000198086_100000139335 [1,0,0,1,0,0|1,0,0]=3 9731 B16R1.643 O=CCCCCOCCOC1CCCCC1 7a_100011249652_100000139335 [1,0,0,1,0,0|2,0,0]=4 9732 B16R1.643 O=CCCCCSCCCC1CCCCC1 62a_100000139335_100011713725 [1,0,0,1,0,0|1,0,0]=3 9733 B16R1.643 O=CCCCCSCCCC1CCCCC1 62a_100011713725_100000139335 [1,0,0,1,0,0|1,0,0]=3 9734 B16R1.643 O=CCCCCSCCCN1CCCCC1 62a_100000139335_100000007876 [1,0,0,1,0,0|2,0,0]=4 9735 B16R1.643 O=CCCCCSCCCN1CCCCC1 62a_100132302099_100000139335 [1,0,0,1,0,0|2,0,0]=4 9736 B16R1.643 O=CCCCCSCCOC1CCCCC1 62a_100000139335_100011211530 [1,0,0,1,0,0|2,0,0]=4 9737 B16R1.643 O=CCCCCSCCOC1CCCCC1 62a_100011211530_100000139335 [1,0,0,1,0,0|2,0,0]=4 9738 B16R1.643 O=CCCCOCCCCC1CCCCC1 7a_100011215267_200011292268 [1,0,0,1,0,0|1,0,0]=3 9739 B16R1.643 OCCCCCCCCNC1CCCCC1 2230a_100000182618_100000033203 [1,0,0,1,0,0|1,0,1]=4 9740 B16R1.643 OCCCCCCCCNC1CCCCC1 270004a_102515433106_100000210434 [1,0,0,1,0,0|1,0,1]=4 9741 B16R1.643 OCCCCCCCCNC1CCCCC1 34a_100000182618_100000033203 [1,0,0,1,0,0|1,0,1]=4 9742 B16R1.643 OCCCCCCCCNC1CCCCC1 34a_102515433106_100000210327 [1,0,0,1,0,0|1,0,1]=4 9743 B16R1.643 OCCCCCCCCOC1CCCCC1 34a_100000210231_100000033203 [1,0,0,1,0,0|1,0,1]=4 9744 B16R1.643 OCCCCCCCCOC1CCCCC1 7a_100000210231_100000033203 [1,0,0,1,0,0|1,0,1]=4 9745 B16R1.643 OCCCCCCCCSC1CCCCC1 62a_100000033203_100000210327 [1,0,0,1,0,0|1,0,1]=4 9746 B16R1.643 OCCCCCCCCSC1CCCCC1 62a_100000210327_100000033203 [1,0,0,1,0,0|1,0,1]=4 9747 B16R1.643 OCCCCCCCNCC1CCCCC1 2230a_100000210473_100000760002 [1,0,0,1,0,0|1,0,1]=4 9748 B16R1.643 OCCCCCCCNCC1CCCCC1 2230a_100011996573_100000211423 [1,0,0,1,0,0|1,0,1]=4 9749 B16R1.643 OCCCCCCCNCC1CCCCC1 269862a_100011996573_100000211278 [1,0,0,1,0,0|1,0,1]=4 9750 B16R1.643 OCCCCCCCNCC1CCCCC1 34a_100000210473_100000760002 [1,0,0,1,0,0|1,0,1]=4 9751 B16R1.643 OCCCCCCCNCC1CCCCC1 34a_100011996573_100000211423 [1,0,0,1,0,0|1,0,1]=4 9752 B16R1.643 OCCCCCCCOCC1CCCCC1 34a_100000212181_100000760002 [1,0,0,1,0,0|1,0,1]=4 9753 B16R1.643 OCCCCCCCOCC1CCCCC1 7a_100000212181_100000760002 [1,0,0,1,0,0|1,0,1]=4 9754 B16R1.643 OCCCCCCCSCC1CCCCC1 62a_100000211423_100000760002 [1,0,0,1,0,0|1,0,1]=4 9755 B16R1.643 OCCCCCCCSCC1CCCCC1 62a_100000760002_100000211423 [1,0,0,1,0,0|1,0,1]=4 9756 B16R1.643 OCCCCCCNCCC1CCCCC1 2230a_100000686447_100012355289 [1,0,0,1,0,0|1,0,1]=4 9757 B16R1.643 OCCCCCCNCCC1CCCCC1 2230a_100000738074_100000766143 [1,0,0,1,0,0|1,0,1]=4 9758 B16R1.643 OCCCCCCNCCC1CCCCC1 270004a_100000686447_100011713444 [1,0,0,1,0,0|1,0,1]=4 9759 B16R1.643 OCCCCCCNCCC1CCCCC1 34a_100000686447_100011209188 [1,0,0,1,0,0|1,0,1]=4 9760 B16R1.643 OCCCCCCNCCC1CCCCC1 34a_100000738074_100000766143 [1,0,0,1,0,0|1,0,1]=4 9761 B16R1.643 OCCCCCCOCCC1CCCCC1 34a_100011217863_100000766143 [1,0,0,1,0,0|1,0,1]=4 9762 B16R1.643 OCCCCCCOCCC1CCCCC1 7a_100011217863_100000766143 [1,0,0,1,0,0|1,0,1]=4 9763 B16R1.643 OCCCCCCSCCC1CCCCC1 62a_100000766143_100012355289 [1,0,0,1,0,0|1,0,1]=4 9764 B16R1.643 OCCCCCCSCCC1CCCCC1 62a_100012355289_100000766143 [1,0,0,1,0,0|1,0,1]=4 9765 B16R1.643 OCCCCCNCCCC1CCCCC1 2230a_100000762737_100011713725 [1,0,0,1,0,0|1,0,1]=4 9766 B16R1.643 OCCCCCNCCCC1CCCCC1 2230a_100011211642_100000746330 [1,0,0,1,0,0|1,0,1]=4 9767 B16R1.643 OCCCCCNCCCC1CCCCC1 34a_100000762737_100011713725 [1,0,0,1,0,0|1,0,1]=4 9768 B16R1.643 OCCCCCNCCCC1CCCCC1 34a_100011211642_100000746330 [1,0,0,1,0,0|1,0,1]=4 9769 B16R1.643 OCCCCCOCCCC1CCCCC1 34a_100000198086_100000746330 [1,0,0,1,0,0|1,0,1]=4 9770 B16R1.643 OCCCCCOCCCC1CCCCC1 7a_100000198086_100000746330 [1,0,0,1,0,0|1,0,1]=4 9771 B16R1.643 OCCCCCSCCCC1CCCCC1 62a_100000746330_100011713725 [1,0,0,1,0,0|1,0,1]=4 9772 B16R1.643 OCCCCCSCCCC1CCCCC1 62a_100011713725_100000746330 [1,0,0,1,0,0|1,0,1]=4 9773 B16R1.643 OCCCCOCCCCC1CCCCC1 34a_100011215267_100011216708 [1,0,0,1,0,0|1,0,1]=4 9774 B16R1.643 OCCCCOCCCCC1CCCCC1 7a_100011215267_100000210776 [1,0,0,1,0,0|1,0,1]=4 9775 B16R1.662 CCCCCCCNC1CCCCNC1=O 2230a_100000229938_100000735217 [1,0,0,1,0,0|2,0,0]=4 9776 B16R1.662 CCCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210681 [1,0,0,1,0,0|2,0,0]=4 9777 B16R1.662 CCCCCCCNC1CCCCNC1=O 34a_100000698827_100000210614 [1,0,0,1,0,0|2,0,0]=4 9778 B16R1.662 CCCCCCCOC1CCCCCC1=O 7a_100000210272_100000243696 [1,0,0,1,0,0|1,0,0]=3 9779 B16R1.662 CCCCCCCOC1CCCCNC1=O 7a_100000210272_100000735217 [1,0,0,1,0,0|2,0,0]=4 9780 B16R1.662 CCCCCCCSC1CCCCCC1=O 62a_100000210614_100000243696 [1,0,0,1,0,0|1,0,0]=3 9781 B16R1.662 CCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210316 [1,0,0,1,0,0|1,0,0]=3 9782 B16R1.662 CCCCCCCSC1CCCCNC1=O 62a_100000210614_100000735217 [1,0,0,1,0,0|2,0,0]=4 9783 B16R1.662 CCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210316 [1,0,0,1,0,0|2,0,0]=4 9784 B16R1.662 CCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210211 [1,0,0,1,0,0|2,0,0]=4 9785 B16R1.662 CCCCNCCCN1CCCCCC1=O 34a_100000195386_100000210210 [1,0,0,1,0,0|2,0,0]=4 9786 B16R1.662 CCCCOCCOC1CCCCCC1=O 7a_100000210238_100000243696 [1,0,0,1,0,0|2,0,0]=4 9787 B16R1.662 CCCCOCCSC1CCCCCC1=O 62a_100000243696_100000743108 [1,0,0,1,0,0|2,0,0]=4 9788 B16R1.662 CCCCOCCSC1CCCCCC1=O 62a_100000743108_100000243696 [1,0,0,1,0,0|2,0,0]=4 9789 B16R1.662 CCCCSCCOC1CCCCCC1=O 7a_200000230436_100000243696 [1,0,0,1,0,0|2,0,0]=4 9790 B16R1.662 O=C1CCCCCC1OCCCCCCBr 7a_100011215345_100000243696 [1,0,0,1,0,0|2,0,0]=4 9791 B16R1.662 O=C1CCCCCC1OCCCCCCCl 7a_100000766143_100000243696 [1,0,0,1,0,0|2,0,0]=4 9792 B16R1.662 O=C1CCCCCC1OCCCCCCF 7a_100000732779_100000243696 [1,0,0,1,0,0|2,0,0]=4 9793 B16R1.662 O=C1CCCCCC1SCCCCCCF 62a_100000243696_100015922095 [1,0,0,1,0,0|2,0,0]=4 9794 B16R1.662 O=C1CCCCCC1SCCCCCCF 62a_100015922095_100000243696 [1,0,0,1,0,0|2,0,0]=4 9795 B16R1.662 O=C1CCCCCC1SCCCCCCO 62a_100000243696_100000766143 [1,0,0,1,0,0|2,0,0]=4 9796 B16R1.662 O=C1CCCCCC1SCCCCCCO 62a_100000766143_100000243696 [1,0,0,1,0,0|2,0,0]=4 9797 B16R1.1193 C=CCCCCCCCCCN1CCCC1 2230a_100000188435_100009814027 [1,0,0,1,0,0|2,0,0]=4 9798 B16R1.1193 C=CCCCCCCCCCN1CCCC1 269982a_100000188435_100009814027 [1,0,0,1,0,0|2,0,0]=4 9799 B16R1.1193 C=CCCCCCCCCNC1CCCC1 2230a_100000211070_100011933949 [1,0,0,1,0,0|2,0,0]=4 9800 B16R1.1193 C=CCCCCCCCCNC1CCCC1 34a_100000211070_100011933949 [1,0,0,1,0,0|2,0,0]=4 9801 B16R1.1193 C=CCCCCCCCCOC1CCCC1 34a_100000210269_100011933949 [1,0,0,1,0,0|2,0,0]=4 9802 B16R1.1193 C=CCCCCCCCCOC1CCCC1 34a_100011215194_100000179811 [1,0,0,1,0,0|2,0,0]=4 9803 B16R1.1193 C=CCCCCCCCCOC1CCCC1 7a_100000210269_100011933949 [1,0,0,1,0,0|2,0,0]=4 9804 B16R1.1193 C=CCCCCCCCCOC1CCCC1 7a_100011215194_100000179811 [1,0,0,1,0,0|2,0,0]=4 9805 B16R1.1193 C=CCCCCCCCCSC1CCCC1 62a_100011217020_100011933949 [1,0,0,1,0,0|2,0,0]=4 9806 B16R1.1193 C=CCCCCCCCCSC1CCCC1 62a_100011933949_100000179811 [1,0,0,1,0,0|2,0,0]=4 9807 B16R1.1193 C=CCCCCCCCNCC1CCCC1 2230a_100000737975_100012355270 [1,0,0,1,0,0|2,0,0]=4 9808 B16R1.1193 C=CCCCCCCCNCC1CCCC1 34a_100000737975_100012355270 [1,0,0,1,0,0|2,0,0]=4 9809 B16R1.1193 C=CCCCCCCCOCC1CCCC1 34a_100000730831_100000740388 [1,0,0,1,0,0|2,0,0]=4 9810 B16R1.1193 C=CCCCCCCCOCC1CCCC1 34a_100000742336_100012355270 [1,0,0,1,0,0|2,0,0]=4 9811 B16R1.1193 C=CCCCCCCCOCC1CCCC1 7a_100000730831_100000740388 [1,0,0,1,0,0|2,0,0]=4 9812 B16R1.1193 C=CCCCCCCCOCC1CCCC1 7a_100000742336_100012355270 [1,0,0,1,0,0|2,0,0]=4 9813 B16R1.1193 C=CCCCCCCCSCC1CCCC1 62a_100000740388_100012355270 [1,0,0,1,0,0|2,0,0]=4 9814 B16R1.1193 C=CCCCCCCCSCC1CCCC1 62a_100012355270_100000740388 [1,0,0,1,0,0|2,0,0]=4 9815 B16R1.1193 C=CCCCCCCNCCC1CCCC1 2230a_100000739158_100011215473 [1,0,0,1,0,0|2,0,0]=4 9816 B16R1.1193 C=CCCCCCCNCCC1CCCC1 34a_100000739158_100011215473 [1,0,0,1,0,0|2,0,0]=4 9817 B16R1.1193 C=CCCCCCCOCCC1CCCC1 34a_100000749090_100011215473 [1,0,0,1,0,0|2,0,0]=4 9818 B16R1.1193 C=CCCCCCCOCCC1CCCC1 34a_200011216477_100000760354 [1,0,0,1,0,0|2,0,0]=4 9819 B16R1.1193 C=CCCCCCCOCCC1CCCC1 7a_100000749090_100011215473 [1,0,0,1,0,0|2,0,0]=4 9820 B16R1.1193 C=CCCCCCCOCCC1CCCC1 7a_200011216477_100000760354 [1,0,0,1,0,0|2,0,0]=4 9821 B16R1.1193 C=CCCCCCCSCCC1CCCC1 62a_100000760354_100011215473 [1,0,0,1,0,0|2,0,0]=4 9822 B16R1.1193 C=CCCCCCCSCCC1CCCC1 62a_100011215473_100000760354 [1,0,0,1,0,0|2,0,0]=4 9823 B16R1.1193 C=CCCCCCNCCCC1CCCC1 2230a_100000736752_100000700193 [1,0,0,1,0,0|2,0,0]=4 9824 B16R1.1193 C=CCCCCCNCCCC1CCCC1 34a_100000736752_100000700193 [1,0,0,1,0,0|2,0,0]=4 9825 B16R1.1193 C=CCCCCCOCCCC1CCCC1 34a_100011215328_100000700193 [1,0,0,1,0,0|2,0,0]=4 9826 B16R1.1193 C=CCCCCCOCCCC1CCCC1 34a_100011216702_100011713738 [1,0,0,1,0,0|2,0,0]=4 9827 B16R1.1193 C=CCCCCCOCCCC1CCCC1 7a_100011215328_100000700193 [1,0,0,1,0,0|2,0,0]=4 9828 B16R1.1193 C=CCCCCCOCCCC1CCCC1 7a_100011216702_100011713738 [1,0,0,1,0,0|2,0,0]=4 9829 B16R1.1193 C=CCCCCCSCCCC1CCCC1 62a_100000700193_100011713738 [1,0,0,1,0,0|2,0,0]=4 9830 B16R1.1193 C=CCCCCCSCCCC1CCCC1 62a_100011713738_100000700193 [1,0,0,1,0,0|2,0,0]=4 9831 B16R1.1193 CCCCCCCCCCOC1CCCO1 34a_100000085407_100000210320 [1,0,0,1,0,0|1,0,1]=4 9832 B16R1.1193 CCCCCCCCCNCC1CCCO1 2230a_100000212291_100000203698 [1,0,0,1,0,0|1,0,1]=4 9833 B16R1.1193 CCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011214924 [1,0,0,1,0,0|1,0,1]=4 9834 B16R1.1193 CCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100011214924 [1,0,0,1,0,0|1,0,1]=4 9835 B16R1.1193 CCCCCCCCCOCC1CCCO1 34a_100000210270_100011214924 [1,0,0,1,0,0|1,0,1]=4 9836 B16R1.1193 CCCCCCCCCOCC1CCCO1 7a_100000210270_100000210328 [1,0,0,1,0,0|1,0,1]=4 9837 B16R1.1193 CCCCCCCCCOCC1CCCO1 7a_100000210712_100000203698 [1,0,0,1,0,0|1,0,1]=4 9838 B16R1.1193 CCCCCCCCCSCC1CCCO1 62a_100000203698_100000210670 [1,0,0,1,0,0|1,0,1]=4 9839 B16R1.1193 O=CCCCCCNCCCC1CCCC1 2230a_100000736752_100000139337 [1,0,0,1,0,0|1,0,0]=3 9840 B16R1.1193 O=CCCCCCOCCCC1CCCC1 7a_100011215328_100000139337 [1,0,0,1,0,0|1,0,0]=3 9841 B16R1.1193 O=CCCCCCOCCOC1CCCC1 7a_100000738311_100000139337 [1,0,0,1,0,0|2,0,0]=4 9842 B16R1.1193 O=CCCCCCSCCCC1CCCC1 62a_100000139337_100011713738 [1,0,0,1,0,0|1,0,0]=3 9843 B16R1.1193 O=CCCCCCSCCCC1CCCC1 62a_100011713738_100000139337 [1,0,0,1,0,0|1,0,0]=3 9844 B16R1.1193 O=CCCCCCSCCCN1CCCC1 62a_100000139337_100011445909 [1,0,0,1,0,0|2,0,0]=4 9845 B16R1.1193 O=CCCCCCSCCCN1CCCC1 62a_100016991639_100000139337 [1,0,0,1,0,0|2,0,0]=4 9846 B16R1.1193 OCCCCCCCCCCN1CCCC1 2230a_100000188435_100009813290 [1,0,0,1,0,0|1,0,1]=4 9847 B16R1.1193 OCCCCCCCCCCN1CCCC1 269982a_100000188435_100009813290 [1,0,0,1,0,0|1,0,1]=4 9848 B16R1.1193 OCCCCCCCCCNC1CCCC1 2230a_100000078944_100000179811 [1,0,0,1,0,0|1,0,1]=4 9849 B16R1.1193 OCCCCCCCCCNC1CCCC1 2230a_100000211070_100009813782 [1,0,0,1,0,0|1,0,1]=4 9850 B16R1.1193 OCCCCCCCCCNC1CCCC1 270004a_100000078944_100000210133 [1,0,0,1,0,0|1,0,1]=4 9851 B16R1.1193 OCCCCCCCCCNC1CCCC1 34a_100000078944_100000179811 [1,0,0,1,0,0|1,0,1]=4 9852 B16R1.1193 OCCCCCCCCCNC1CCCC1 34a_100000211070_100009813782 [1,0,0,1,0,0|1,0,1]=4 9853 B16R1.1193 OCCCCCCCCCOC1CCCC1 34a_100000210269_100009813782 [1,0,0,1,0,0|1,0,1]=4 9854 B16R1.1193 OCCCCCCCCCOC1CCCC1 7a_100000210269_100009813782 [1,0,0,1,0,0|1,0,1]=4 9855 B16R1.1193 OCCCCCCCCCSC1CCCC1 62a_100009813782_100000179811 [1,0,0,1,0,0|1,0,1]=4 9856 B16R1.1193 OCCCCCCCCCSC1CCCC1 62a_100011217020_100009813782 [1,0,0,1,0,0|1,0,1]=4 9857 B16R1.1193 OCCCCCCCCNCC1CCCC1 2230a_100000737975_100000033203 [1,0,0,1,0,0|1,0,1]=4 9858 B16R1.1193 OCCCCCCCCNCC1CCCC1 2230a_102515433106_100000740388 [1,0,0,1,0,0|1,0,1]=4 9859 B16R1.1193 OCCCCCCCCNCC1CCCC1 269862a_102515433106_100000746403 [1,0,0,1,0,0|1,0,1]=4 9860 B16R1.1193 OCCCCCCCCNCC1CCCC1 34a_100000737975_100000033203 [1,0,0,1,0,0|1,0,1]=4 9861 B16R1.1193 OCCCCCCCCNCC1CCCC1 34a_102515433106_100000740388 [1,0,0,1,0,0|1,0,1]=4 9862 B16R1.1193 OCCCCCCCCOCC1CCCC1 34a_100000742336_100000033203 [1,0,0,1,0,0|1,0,1]=4 9863 B16R1.1193 OCCCCCCCCOCC1CCCC1 7a_100000742336_100000033203 [1,0,0,1,0,0|1,0,1]=4 9864 B16R1.1193 OCCCCCCCCSCC1CCCC1 62a_100000033203_100000740388 [1,0,0,1,0,0|1,0,1]=4 9865 B16R1.1193 OCCCCCCCCSCC1CCCC1 62a_100000740388_100000033203 [1,0,0,1,0,0|1,0,1]=4 9866 B16R1.1193 OCCCCCCCNCCC1CCCC1 2230a_100000739158_100000760002 [1,0,0,1,0,0|1,0,1]=4 9867 B16R1.1193 OCCCCCCCNCCC1CCCC1 2230a_100011996573_100000760354 [1,0,0,1,0,0|1,0,1]=4 9868 B16R1.1193 OCCCCCCCNCCC1CCCC1 34a_100000739158_100000760002 [1,0,0,1,0,0|1,0,1]=4 9869 B16R1.1193 OCCCCCCCNCCC1CCCC1 34a_100011996573_100000760354 [1,0,0,1,0,0|1,0,1]=4 9870 B16R1.1193 OCCCCCCCOCCC1CCCC1 34a_100000749090_100000760002 [1,0,0,1,0,0|1,0,1]=4 9871 B16R1.1193 OCCCCCCCOCCC1CCCC1 7a_100000749090_100000760002 [1,0,0,1,0,0|1,0,1]=4 9872 B16R1.1193 OCCCCCCCSCCC1CCCC1 62a_100000760002_100000760354 [1,0,0,1,0,0|1,0,1]=4 9873 B16R1.1193 OCCCCCCCSCCC1CCCC1 62a_100000760354_100000760002 [1,0,0,1,0,0|1,0,1]=4 9874 B16R1.1193 OCCCCCCNCCCC1CCCC1 2230a_100000686447_100011713738 [1,0,0,1,0,0|1,0,1]=4 9875 B16R1.1193 OCCCCCCNCCCC1CCCC1 2230a_100000736752_100000766143 [1,0,0,1,0,0|1,0,1]=4 9876 B16R1.1193 OCCCCCCNCCCC1CCCC1 34a_100000686447_100011713738 [1,0,0,1,0,0|1,0,1]=4 9877 B16R1.1193 OCCCCCCNCCCC1CCCC1 34a_100000736752_100000766143 [1,0,0,1,0,0|1,0,1]=4 9878 B16R1.1193 OCCCCCCOCCCC1CCCC1 34a_100011215328_100000766143 [1,0,0,1,0,0|1,0,1]=4 9879 B16R1.1193 OCCCCCCOCCCC1CCCC1 7a_100011215328_100000766143 [1,0,0,1,0,0|1,0,1]=4 9880 B16R1.1193 OCCCCCCSCCCC1CCCC1 62a_100000766143_100011713738 [1,0,0,1,0,0|1,0,1]=4 9881 B16R1.1193 OCCCCCCSCCCC1CCCC1 62a_100011713738_100000766143 [1,0,0,1,0,0|1,0,1]=4 9882 B16R1.1218 C=CCCCCCCCN1CCCCC1C 2230a_100000211376_100012355270 [1,0,0,1,0,0|2,0,0]=4 9883 B16R1.1218 C=CCCCCCCCN1CCCCC1C 269982a_100000211376_100012355270 [1,0,0,1,0,0|2,0,0]=4 9884 B16R1.1218 C=CCCCCCCCN1CCCCC1C 34a_100000211376_100012355270 [1,0,0,1,0,0|2,0,0]=4 9885 B16R1.1218 C=CCCCCCCNC1CCCCC1C 2230a_100000211402_100011215473 [1,0,0,1,0,0|2,0,0]=4 9886 B16R1.1218 C=CCCCCCCNC1CCCCC1C 34a_100000211402_100011215473 [1,0,0,1,0,0|2,0,0]=4 9887 B16R1.1218 C=CCCCCCCOC1CCCCC1C 34a_100000211207_100011215473 [1,0,0,1,0,0|2,0,0]=4 9888 B16R1.1218 C=CCCCCCCOC1CCCCC1C 7a_100000211207_100011215473 [1,0,0,1,0,0|2,0,0]=4 9889 B16R1.1218 CC1CCCCC1NCCCCCCCO 2230a_100000211402_100000760002 [1,0,0,1,0,0|1,0,1]=4 9890 B16R1.1218 CC1CCCCC1NCCCCCCCO 269862a_100011996573_100000210921 [1,0,0,1,0,0|1,0,1]=4 9891 B16R1.1218 CC1CCCCC1NCCCCCCCO 270004a_100011996573_100000210921 [1,0,0,1,0,0|1,0,1]=4 9892 B16R1.1218 CC1CCCCC1NCCCCCCCO 34a_100000211402_100000760002 [1,0,0,1,0,0|1,0,1]=4 9893 B16R1.1218 CC1CCCCC1OCCCCCCCO 34a_100000211207_100000760002 [1,0,0,1,0,0|1,0,1]=4 9894 B16R1.1218 CC1CCCCC1OCCCCCCCO 7a_100000211207_100000760002 [1,0,0,1,0,0|1,0,1]=4 9895 B16R1.1218 CC1CCCCN1CCCCCCCCO 2230a_100000211376_100000033203 [1,0,0,1,0,0|1,0,1]=4 9896 B16R1.1218 CC1CCCCN1CCCCCCCCO 269982a_100000211376_100000033203 [1,0,0,1,0,0|1,0,1]=4 9897 B16R1.1218 CC1CCCCN1CCCCCCCCO 34a_100000211376_100000033203 [1,0,0,1,0,0|1,0,1]=4 9898 B16R1.1218 CC1CCCCN1CCCOCCCC=O 7a_100000213889_200011292268 [1,0,0,1,0,0|2,0,0]=4 9899 B16R1.1218 CC1CCCCN1CCNCCCCC=O 2230a_100000739827_100000139335 [1,0,0,1,0,0|2,0,0]=4 9900 B16R1.1218 CCCCCCCCNC1CCCCC1=O 34a_100000229939_100000754470 [1,0,0,1,0,0|1,0,0]=3 9901 B16R1.1218 CCCCCCCCNC1CCCCC1O 34a_100000229939_100000038908 [1,0,0,1,0,0|1,0,1]=4 9902 B16R1.1218 CCCCCCCCNC1CCCNC1=O 2230a_100000229939_100000687798 [1,0,0,1,0,0|2,0,0]=4 9903 B16R1.1218 CCCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210759 [1,0,0,1,0,0|2,0,0]=4 9904 B16R1.1218 CCCCCCCCNC1CCCNC1=O 34a_100000229939_100000687798 [1,0,0,1,0,0|2,0,0]=4 9905 B16R1.1218 CCCCCCCCNC1CCCNC1=O 34a_100000747585_100000210759 [1,0,0,1,0,0|2,0,0]=4 9906 B16R1.1218 CCCCCCCCNC1COCCC1=O 34a_100000229939_100012180262 [1,0,0,1,0,0|2,0,0]=4 9907 B16R1.1218 CCCCCCCCOC1CCCCC1=O 34a_100000210232_100000754470 [1,0,0,1,0,0|1,0,0]=3 9908 B16R1.1218 CCCCCCCCOC1CCCCC1=O 34a_100011214950_100000210759 [1,0,0,1,0,0|1,0,0]=3 9909 B16R1.1218 CCCCCCCCOC1CCCCC1=O 7a_100000210232_100000204591 [1,0,0,1,0,0|1,0,0]=3 9910 B16R1.1218 CCCCCCCCOC1CCCCC1O 34a_100000210232_100000038908 [1,0,0,1,0,0|1,0,1]=4 9911 B16R1.1218 CCCCCCCCOC1CCCNC1=O 34a_100000073722_100000210759 [1,0,0,1,0,0|2,0,0]=4 9912 B16R1.1218 CCCCCCCCOC1CCCNC1=O 34a_100000210232_100000687798 [1,0,0,1,0,0|2,0,0]=4 9913 B16R1.1218 CCCCCCCCOC1CCCNC1=O 7a_100000210232_100000687798 [1,0,0,1,0,0|2,0,0]=4 9914 B16R1.1218 CCCCCCCCOC1COCCC1=O 34a_100000210232_100012180262 [1,0,0,1,0,0|2,0,0]=4 9915 B16R1.1218 CCCCCCCCOC1COCCC1=O 7a_100000210232_100012180262 [1,0,0,1,0,0|2,0,0]=4 9916 B16R1.1218 CCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210317 [1,0,0,1,0,0|1,0,0]=3 9917 B16R1.1218 CCCCCCCCSC1CCCCC1=O 62a_100000210759_100000204591 [1,0,0,1,0,0|1,0,0]=3 9918 B16R1.1218 CCCCCCCCSC1CCCCC1O 62a_100000038908_100000210317 [1,0,0,1,0,0|1,0,1]=4 9919 B16R1.1218 CCCCCCCCSC1CCCCC1O 62a_100000210759_100000038908 [1,0,0,1,0,0|1,0,1]=4 9920 B16R1.1218 CCCCCCCCSC1CCCNC1=O 62a_100000210759_100000687798 [1,0,0,1,0,0|2,0,0]=4 9921 B16R1.1218 CCCCCCCCSC1CCCNC1=O 62a_100000687798_100000210317 [1,0,0,1,0,0|2,0,0]=4 9922 B16R1.1218 CCCCCCCCSC1COCCC1=O 62a_100000210759_100012180262 [1,0,0,1,0,0|2,0,0]=4 9923 B16R1.1218 CCCCCCCCSC1COCCC1=O 62a_100012180262_100000210317 [1,0,0,1,0,0|2,0,0]=4 9924 B16R1.1218 CCCCCCCNCC1CCCCC1O 34a_100011216029_100000210614 [1,0,0,1,0,0|1,0,1]=4 9925 B16R1.1218 CCCCCCCOCC1CCCCC1=O 34a_100009861125_100000210614 [1,0,0,1,0,0|1,0,0]=3 9926 B16R1.1218 CCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210614 [1,0,0,1,0,0|1,0,0]=3 9927 B16R1.1218 CCCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210314 [1,0,0,1,0,0|2,0,0]=4 9928 B16R1.1218 CCCCCCNCCN1CCCCC1=O 34a_100160573077_100000210314 [1,0,0,1,0,0|2,0,0]=4 9929 B16R1.1218 CCCCCNCCOC1CCCCC1=O 34a_100000224656_100000754470 [1,0,0,1,0,0|2,0,0]=4 9930 B16R1.1218 CCCCCOCCOC1CCCCC1=O 34a_100011215259_100000754470 [1,0,0,1,0,0|2,0,0]=4 9931 B16R1.1218 CCCCCOCCOC1CCCCC1=O 7a_100011215259_100000204591 [1,0,0,1,0,0|2,0,0]=4 9932 B16R1.1218 CCCCOCCCNC1CCCCC1=O 34a_200000211371_100000754470 [1,0,0,1,0,0|2,0,0]=4 9933 B16R1.1218 CCCCOCCCOC1CCCCC1=O 34a_200011215613_100000754470 [1,0,0,1,0,0|2,0,0]=4 9934 B16R1.1218 CCCCOCCCOC1CCCCC1=O 7a_200011215613_100000204591 [1,0,0,1,0,0|2,0,0]=4 9935 B16R1.1218 CCCCOCCOCC1CCCCC1=O 34a_100009861125_100000743108 [1,0,0,1,0,0|2,0,0]=4 9936 B16R1.1218 CCCCOCCOCC1CCCCC1=O 7a_100009861125_100000743108 [1,0,0,1,0,0|2,0,0]=4 9937 B16R1.1218 CN1CCCCC1CCSCCCCC=O 62a_100000139335_100000211948 [1,0,0,1,0,0|2,0,0]=4 9938 B16R1.1218 CN1CCCCC1CCSCCCCC=O 62a_100000211948_100000139335 [1,0,0,1,0,0|2,0,0]=4 9939 B16R1.1218 CN1CCCCC1CSCCCCCC=O 62a_100000139337_100015185383 [1,0,0,1,0,0|2,0,0]=4 9940 B16R1.1218 CN1CCCCC1CSCCCCCC=O 62a_100015185383_100000139337 [1,0,0,1,0,0|2,0,0]=4 9941 B16R1.1218 COCCCCCCOC1CCCCC1=O 34a_100011214950_100011998445 [1,0,0,1,0,0|2,0,0]=4 9942 B16R1.1218 COCCCCCCOC1CCCCC1=O 34a_200012092642_100000754470 [1,0,0,1,0,0|2,0,0]=4 9943 B16R1.1218 COCCCCCCOC1CCCCC1=O 7a_200012092642_100000204591 [1,0,0,1,0,0|2,0,0]=4 9944 B16R1.1218 COCCCCCCSC1CCCCC1=O 62a_100000204591_100011998445 [1,0,0,1,0,0|2,0,0]=4 9945 B16R1.1218 COCCCCCCSC1CCCCC1=O 62a_100011998445_100000204591 [1,0,0,1,0,0|2,0,0]=4 9946 B16R1.1218 NCCCCCCCOC1CCCCC1=O 34a_100011996573_100000754470 [1,0,0,1,0,0|2,0,0]=4 9947 B16R1.1218 O=C1CCCCC1COCCCCCCF 34a_100009861125_100015922095 [1,0,0,1,0,0|2,0,0]=4 9948 B16R1.1218 O=C1CCCCC1COCCCCCCF 7a_100009861125_100015922095 [1,0,0,1,0,0|2,0,0]=4 9949 B16R1.1218 O=C1CCCCC1COCCCCCCO 34a_100009861125_100000766143 [1,0,0,1,0,0|2,0,0]=4 9950 B16R1.1218 O=C1CCCCC1COCCCCCCO 7a_100009861125_100000766143 [1,0,0,1,0,0|2,0,0]=4 9951 B16R1.1218 O=C1CCCCC1NCCCCCCCO 34a_100011996573_100000754470 [1,0,0,1,0,0|2,0,0]=4 9952 B16R1.1218 O=C1CCCCC1OCCCCCCCBr 34a_100000760002_100000754470 [1,0,0,1,0,0|2,0,0]=4 9953 B16R1.1218 O=C1CCCCC1OCCCCCCCBr 7a_100000760002_100000204591 [1,0,0,1,0,0|2,0,0]=4 9954 B16R1.1218 O=C1CCCCC1OCCCCCCCO 34a_100011214950_100000760002 [1,0,0,1,0,0|2,0,0]=4 9955 B16R1.1218 O=C1CCCCC1SCCCCCCCO 62a_100000204591_100000760002 [1,0,0,1,0,0|2,0,0]=4 9956 B16R1.1218 O=C1CCCCC1SCCCCCCCO 62a_100000760002_100000204591 [1,0,0,1,0,0|2,0,0]=4 9957 B16R1.1219 C=CCCCCCCCN1CCCC1CC 2230a_100000754278_100012355270 [1,0,0,1,0,0|2,0,0]=4 9958 B16R1.1219 C=CCCCCCCCN1CCCC1CC 269982a_100000754278_100012355270 [1,0,0,1,0,0|2,0,0]=4 9959 B16R1.1219 C=CCCCCCCCN1CCCC1CC 34a_100000754278_100012355270 [1,0,0,1,0,0|2,0,0]=4 9960 B16R1.1219 CCC1CCCC1NCCCCCCCO 269862a_100011996573_100000749056 [1,0,0,1,0,0|1,0,1]=4 9961 B16R1.1219 CCC1CCCC1NCCCCCCCO 270004a_100011996573_100000749056 [1,0,0,1,0,0|1,0,1]=4 9962 B16R1.1219 CCC1CCCN1CCCCCCCCO 2230a_100000754278_100000033203 [1,0,0,1,0,0|1,0,1]=4 9963 B16R1.1219 CCC1CCCN1CCCCCCCCO 269982a_100000754278_100000033203 [1,0,0,1,0,0|1,0,1]=4 9964 B16R1.1219 CCC1CCCN1CCCCCCCCO 34a_100000754278_100000033203 [1,0,0,1,0,0|1,0,1]=4 9965 B16R1.1219 CCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011214924 [1,0,0,1,0,0|1,0,1]=4 9966 B16R1.1219 CCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210670 [1,0,0,1,0,0|1,0,1]=4 9967 B16R1.1219 CCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100011214924 [1,0,0,1,0,0|1,0,1]=4 9968 B16R1.1219 CCN1CCCC1CNCCCCCC=O 2230a_100000211693_100000139337 [1,0,0,1,0,0|2,0,0]=4 9969 B16R1.1219 CCN1CCC[C@@H]1COCCCCCC=O 7a_100011739246_100000139337 [1,0,0,1,0,0|2,0,0]=4 9970 B16R1.1418 C=CCCCCCCN1CCCCC1CC 2230a_100000210034_100011215473 [1,0,0,1,0,0|2,0,0]=4 9971 B16R1.1418 C=CCCCCCCN1CCCCC1CC 269982a_100000210034_100011215473 [1,0,0,1,0,0|2,0,0]=4 9972 B16R1.1418 C=CCCCCCCN1CCCCC1CC 34a_100000210034_100011215473 [1,0,0,1,0,0|2,0,0]=4 9973 B16R1.1418 C=CCCCCCOC1CCCCC1CC 34a_100000210738_100000700193 [1,0,0,1,0,0|2,0,0]=4 9974 B16R1.1418 C=CCCCCCOC1CCCCC1CC 7a_100000210738_100000700193 [1,0,0,1,0,0|2,0,0]=4 9975 B16R1.1418 CCC1CCCCC1NCCCCCCO 269862a_100000686447_100000757040 [1,0,0,1,0,0|1,0,1]=4 9976 B16R1.1418 CCC1CCCCC1NCCCCCCO 270004a_100000686447_100000757040 [1,0,0,1,0,0|1,0,1]=4 9977 B16R1.1418 CCC1CCCCC1OCCCCCC=O 7a_100000210738_100000139337 [1,0,0,1,0,0|1,0,0]=3 9978 B16R1.1418 CCC1CCCCC1OCCCCCCO 34a_100000210738_100000766143 [1,0,0,1,0,0|1,0,1]=4 9979 B16R1.1418 CCC1CCCCC1OCCCCCCO 7a_100000210738_100000766143 [1,0,0,1,0,0|1,0,1]=4 9980 B16R1.1418 CCC1CCCCN1CCCCCCCO 2230a_100000210034_100000760002 [1,0,0,1,0,0|1,0,1]=4 9981 B16R1.1418 CCC1CCCCN1CCCCCCCO 269982a_100000210034_100000760002 [1,0,0,1,0,0|1,0,1]=4 9982 B16R1.1418 CCC1CCCCN1CCCCCCCO 34a_100000210034_100000760002 [1,0,0,1,0,0|1,0,1]=4 9983 B16R1.1418 CCC1CCCCN1CCNCCCC=O 2230a_100000755458_200011292268 [1,0,0,1,0,0|2,0,0]=4 9984 B16R1.1418 CCCCCCCCN1CCCCC1CO 2230a_100000210821_100000210759 [1,0,0,1,0,0|1,0,1]=4 9985 B16R1.1418 CCCCCCCCN1CCCCC1CO 269982a_100000210821_100000210759 [1,0,0,1,0,0|1,0,1]=4 9986 B16R1.1418 CCCCCCCCN1CCCCC1CO 34a_100000210821_100000210759 [1,0,0,1,0,0|1,0,1]=4 9987 B16R1.1418 CCCCCCCNC1CCCCC1CO 270004a_100000229938_100009861125 [1,0,0,1,0,0|1,0,1]=4 9988 B16R1.1418 CCN1CCCCC1CNCCCCC=O 2230a_100000754393_100000139335 [1,0,0,1,0,0|2,0,0]=4 9989 B16R1.1418 CCN1CCCCC1COCCCCC=O 7a_100000225091_100000139335 [1,0,0,1,0,0|2,0,0]=4 9990 B16R1.1418 CO[C@H]1CCCC[C@@H]1OCCCCCC=O 7a_200009815850_100000139337 [1,0,0,1,0,0|2,0,0]=4 9991 B16R1.1425 COCCCC1CCCCN1CCCC=O 2230a_100011804088_200011292268 [1,0,0,1,0,0|2,0,0]=4 9992 B16R1.1425 COCCCC1CCCCN1CCCC=O 269982a_100011804088_200011292268 [1,0,0,1,0,0|2,0,0]=4 9993 B16R1.3890 C=CCCCCCCCCOCC1CC1C 34a_100000744939_100011933949 [1,0,0,1,0,0|2,0,0]=4 9994 B16R1.3890 C=CCCCCCCCCOCC1CC1C 7a_100000744939_100011933949 [1,0,0,1,0,0|2,0,0]=4 9995 B16R1.3890 CC1CC1COCCCCCCCCCO 34a_100000744939_100009813782 [1,0,0,1,0,0|1,0,1]=4 9996 B16R1.3890 CC1CC1COCCCCCCCCCO 7a_100000744939_100009813782 [1,0,0,1,0,0|1,0,1]=4 9997 B16R1.3891 C=CCCCCCCCCCCN1CCC1 269982a_100000754969_100011093070 [1,0,0,1,0,0|2,0,0]=4 9998 B16R1.3891 C=CCCCCCCCCCNC1CCC1 2230a_100000749019_100009814027 [1,0,0,1,0,0|2,0,0]=4 9999 B16R1.3891 C=CCCCCCCCCCNC1CCC1 270004a_100000081888_100000241760 [1,0,0,1,0,0|2,0,0]=4 10000 B16R1.3891 C=CCCCCCCCCCNC1CCC1 34a_100000081888_100000749161 [1,0,0,1,0,0|2,0,0]=4 10001 B16R1.3891 C=CCCCCCCCCCNC1CCC1 34a_100000749019_100009814027 [1,0,0,1,0,0|2,0,0]=4 10002 B16R1.3891 C=CCCCCCCCCCOC1CCC1 34a_100000038209_100000749161 [1,0,0,1,0,0|2,0,0]=4 10003 B16R1.3891 C=CCCCCCCCCCOC1CCC1 34a_100000748187_100009814027 [1,0,0,1,0,0|2,0,0]=4 10004 B16R1.3891 C=CCCCCCCCCCSC1CCC1 62a_100009814027_100000749161 [1,0,0,1,0,0|2,0,0]=4 10005 B16R1.3891 C=CCCCCCCCCNCC1CCC1 2230a_100000738700_100011933949 [1,0,0,1,0,0|2,0,0]=4 10006 B16R1.3891 C=CCCCCCCCCNCC1CCC1 34a_100000738700_100011933949 [1,0,0,1,0,0|2,0,0]=4 10007 B16R1.3891 C=CCCCCCCCCOCC1CCC1 34a_100000760304_100011933949 [1,0,0,1,0,0|2,0,0]=4 10008 B16R1.3891 C=CCCCCCCCCOCC1CCC1 34a_100011215194_100000763275 [1,0,0,1,0,0|2,0,0]=4 10009 B16R1.3891 C=CCCCCCCCCOCC1CCC1 7a_100011215194_100000763275 [1,0,0,1,0,0|2,0,0]=4 10010 B16R1.3891 C=CCCCCCCCCSCC1CCC1 62a_100000763275_100011933949 [1,0,0,1,0,0|2,0,0]=4 10011 B16R1.3891 C=CCCCCCCCCSCC1CCC1 62a_100011933949_100000763275 [1,0,0,1,0,0|2,0,0]=4 10012 B16R1.3891 CCCCCCCCCCNCC1CCO1 2230a_100000684558_100000103362 [1,0,0,1,0,0|1,0,1]=4 10013 B16R1.3891 CCCCCCCCCCNCC1CCO1 34a_100000684558_100000103362 [1,0,0,1,0,0|1,0,1]=4 10014 B16R1.3891 CCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210320 [1,0,0,1,0,0|1,0,1]=4 10015 B16R1.3891 CCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210320 [1,0,0,1,0,0|1,0,1]=4 10016 B16R1.3891 CCCCCCCCCCOCC1CCO1 34a_100000039022_100000210320 [1,0,0,1,0,0|1,0,1]=4 10017 B16R1.3891 CCCCCCCCCCOCC1CCO1 34a_100000210711_100000103362 [1,0,0,1,0,0|1,0,1]=4 10018 B16R1.3891 CCCCCCCCCCOCC1CCO1 7a_100000210711_100000103362 [1,0,0,1,0,0|1,0,1]=4 10019 B16R1.3891 CCCCCCCCCCSCC1CCO1 62a_100000103362_100000210320 [1,0,0,1,0,0|1,0,1]=4 10020 B16R1.3891 OCCCCCCCCCCCN1CCC1 269982a_100000754969_100009812471 [1,0,0,1,0,0|1,0,1]=4 10021 B16R1.3891 OCCCCCCCCCCNC1CCC1 2230a_100000749019_100009813290 [1,0,0,1,0,0|1,0,1]=4 10022 B16R1.3891 OCCCCCCCCCCNC1CCC1 270004a_100000066964_100000241760 [1,0,0,1,0,0|1,0,1]=4 10023 B16R1.3891 OCCCCCCCCCCNC1CCC1 34a_100000066964_100000749161 [1,0,0,1,0,0|1,0,1]=4 10024 B16R1.3891 OCCCCCCCCCCNC1CCC1 34a_100000749019_100009813290 [1,0,0,1,0,0|1,0,1]=4 10025 B16R1.3891 OCCCCCCCCCCOC1CCC1 34a_100000748187_100009813290 [1,0,0,1,0,0|1,0,1]=4 10026 B16R1.3891 OCCCCCCCCCCSC1CCC1 62a_100009813290_100000749161 [1,0,0,1,0,0|1,0,1]=4 10027 B16R1.3891 OCCCCCCCCCNCC1CCC1 2230a_100000078944_100000763275 [1,0,0,1,0,0|1,0,1]=4 10028 B16R1.3891 OCCCCCCCCCNCC1CCC1 2230a_100000738700_100009813782 [1,0,0,1,0,0|1,0,1]=4 10029 B16R1.3891 OCCCCCCCCCNCC1CCC1 269862a_100000078944_100000753134 [1,0,0,1,0,0|1,0,1]=4 10030 B16R1.3891 OCCCCCCCCCNCC1CCC1 34a_100000078944_100000763275 [1,0,0,1,0,0|1,0,1]=4 10031 B16R1.3891 OCCCCCCCCCNCC1CCC1 34a_100000738700_100009813782 [1,0,0,1,0,0|1,0,1]=4 10032 B16R1.3891 OCCCCCCCCCOCC1CCC1 34a_100000760304_100009813782 [1,0,0,1,0,0|1,0,1]=4 10033 B16R1.3891 OCCCCCCCCCSCC1CCC1 62a_100000763275_100009813782 [1,0,0,1,0,0|1,0,1]=4 10034 B16R1.3891 OCCCCCCCCCSCC1CCC1 62a_100009813782_100000763275 [1,0,0,1,0,0|1,0,1]=4 10035 B16R1.3905 C=CCCCCNC1CCCC1CCCC 269862a_100000703577_100000750825 [1,0,0,1,0,0|2,0,0]=4 10036 B16R1.3905 C=CCCCCNC1CCCC1CCCC 270004a_100000703577_100000750825 [1,0,0,1,0,0|2,0,0]=4 10037 B16R1.3905 C=CCNC1CCCC1CCCCCCC 270004a_100020586998_200011216720 [1,0,0,1,0,0|2,0,0]=4 10038 B16R1.3905 CCCCC1CCCC1NCCCCCO 269862a_100000762737_100000750825 [1,0,0,1,0,0|1,0,1]=4 10039 B16R1.3905 CCCCC1CCCC1NCCCCCO 270004a_100000762737_100000750825 [1,0,0,1,0,0|1,0,1]=4 10040 B16R1.3905 CCCCCCCC1CCCC1NCCO 269862a_100000210304_200011216720 [1,0,0,1,0,0|1,0,1]=4 10041 B16R1.3905 CCCCCCCC1CCCC1NCCO 270004a_100000210304_200011216720 [1,0,0,1,0,0|1,0,1]=4 10042 B16R1.6680 C=CCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011933949 [1,0,0,1,0,0|2,0,0]=4 10043 B16R1.6680 C=CCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011933949 [1,0,0,1,0,0|2,0,0]=4 10044 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011933949 [1,0,0,1,0,0|2,0,0]=4 10045 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011933949 [1,0,0,1,0,0|2,0,0]=4 10046 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011933949 [1,0,0,1,0,0|2,0,0]=4 10047 B16R1.6680 C=CCCCCCCCOC1CCCC1C 34a_100011216460_100012355270 [1,0,0,1,0,0|2,0,0]=4 10048 B16R1.6680 C=CCCCCCCCOC1CCCC1C 7a_100011216460_100012355270 [1,0,0,1,0,0|2,0,0]=4 10049 B16R1.6680 CC1CCCC1NCCCCCCCCO 269862a_102515433106_100000752053 [1,0,0,1,0,0|1,0,1]=4 10050 B16R1.6680 CC1CCCC1OCCCCCCCCO 34a_100011216460_100000033203 [1,0,0,1,0,0|1,0,1]=4 10051 B16R1.6680 CC1CCCC1OCCCCCCCCO 7a_100011216460_100000033203 [1,0,0,1,0,0|1,0,1]=4 10052 B16R1.6680 CCCCCCCCCNC1CCCC1=O 2230a_100000212291_100000211823 [1,0,0,1,0,0|1,0,0]=3 10053 B16R1.6680 CCCCCCCCCNC1CCCC1=O 34a_100000212291_100000709159 [1,0,0,1,0,0|1,0,0]=3 10054 B16R1.6680 CCCCCCCCCNC1CCNC1=O 2230a_100016995588_100011214924 [1,0,0,1,0,0|2,0,0]=4 10055 B16R1.6680 CCCCCCCCCNC1CCNC1=O 34a_100016995588_100011214924 [1,0,0,1,0,0|2,0,0]=4 10056 B16R1.6680 CCCCCCCCCNC1CCOC1=O 2230a_100000212291_100000211211 [1,0,0,1,0,0|2,0,0]=4 10057 B16R1.6680 CCCCCCCCCNC1CCOC1=O 34a_100000212291_100000211211 [1,0,0,1,0,0|2,0,0]=4 10058 B16R1.6680 CCCCCCCCCOC1CCCC1=O 34a_100000210712_100000709159 [1,0,0,1,0,0|1,0,0]=3 10059 B16R1.6680 CCCCCCCCCOC1CCCC1=O 34a_200000719330_100011214924 [1,0,0,1,0,0|1,0,0]=3 10060 B16R1.6680 CCCCCCCCCOC1CCCC1=O 7a_100000210712_100000211823 [1,0,0,1,0,0|1,0,0]=3 10061 B16R1.6680 CCCCCCCCCOC1CCOC1=O 34a_100000210712_100000211211 [1,0,0,1,0,0|2,0,0]=4 10062 B16R1.6680 CCCCCCCCCOC1CCOC1=O 7a_100000210712_100000211211 [1,0,0,1,0,0|2,0,0]=4 10063 B16R1.6680 CCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011214924 [1,0,0,1,0,0|2,0,0]=4 10064 B16R1.6680 CCCCCCCCCSC1CCCC1=O 62a_100000211823_100000210670 [1,0,0,1,0,0|1,0,0]=3 10065 B16R1.6680 CCCCCCCCCSC1CCOC1=O 62a_100000211211_100000210670 [1,0,0,1,0,0|2,0,0]=4 10066 B16R1.6680 CCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210670 [1,0,0,1,0,0|1,0,1]=4 10067 B16R1.6680 CCCCCCCCOCC1CCNC1=O 34a_100000133458_100000210759 [1,0,0,1,0,0|2,0,0]=4 10068 B16R1.6680 CCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210317 [1,0,0,1,0,0|2,0,0]=4 10069 B16R1.6680 CCCCCCCCSCN1CCCC1=O 62a_100000210759_100000026320 [1,0,0,1,0,0|2,0,0]=4 10070 B16R1.6680 CCCCCCCNCCN1CCCC1=O 2230a_100000229938_100000739059 [1,0,0,1,0,0|2,0,0]=4 10071 B16R1.6680 CCCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210681 [1,0,0,1,0,0|2,0,0]=4 10072 B16R1.6680 CCCCCCCOCCN1CCCC1=O 34a_100000210272_100000739059 [1,0,0,1,0,0|2,0,0]=4 10073 B16R1.6680 CCCCCCCOCCN1CCCC1=O 34a_100000211209_100000210614 [1,0,0,1,0,0|2,0,0]=4 10074 B16R1.6680 CCCCCCCOCCN1CCCC1=O 7a_100000210272_100000739059 [1,0,0,1,0,0|2,0,0]=4 10075 B16R1.6680 CCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210614 [1,0,0,1,0,0|2,0,0]=4 10076 B16R1.6680 CCCCCCCSCCN1CCCC1=O 62a_100000210614_100000739059 [1,0,0,1,0,0|2,0,0]=4 10077 B16R1.6680 CCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210316 [1,0,0,1,0,0|2,0,0]=4 10078 B16R1.6680 CCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210314 [1,0,0,1,0,0|2,0,0]=4 10079 B16R1.6680 CCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210314 [1,0,0,1,0,0|2,0,0]=4 10080 B16R1.6680 CCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210314 [1,0,0,1,0,0|2,0,0]=4 10081 B16R1.6680 CCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210314 [1,0,0,1,0,0|2,0,0]=4 10082 B16R1.6680 CCCCCCOCCOC1CCCC1=O 34a_100000691444_100000709159 [1,0,0,1,0,0|2,0,0]=4 10083 B16R1.6680 CCCCCCOCCOC1CCCC1=O 7a_100000691444_100000211823 [1,0,0,1,0,0|2,0,0]=4 10084 B16R1.6680 CCCCNCCCCOC1CCCC1=O 34a_200011216965_100000709159 [1,0,0,1,0,0|2,0,0]=4 10085 B16R1.6680 CCCCOCCCCOC1CCCC1=O 34a_200000760531_100000709159 [1,0,0,1,0,0|2,0,0]=4 10086 B16R1.6680 CCCCOCCCCOC1CCCC1=O 7a_200000760531_100000211823 [1,0,0,1,0,0|2,0,0]=4 10087 B16R1.6680 CN1CCCC1CCOCCCCCC=O 7a_100011215177_100000139337 [1,0,0,1,0,0|2,0,0]=4 10088 B16R1.6680 CN1CCCC1CCSCCCCCC=O 62a_100000005710_100000139337 [1,0,0,1,0,0|2,0,0]=4 10089 B16R1.6680 CN1CCCC1CCSCCCCCC=O 62a_100000139337_100000005710 [1,0,0,1,0,0|2,0,0]=4 10090 B16R1.6680 C[C@@H]1CCCN1CCCCCCCCCO 2230a_100015189458_100009813782 [1,0,0,1,0,0|1,0,1]=4 10091 B16R1.6680 C[C@@H]1CCCN1CCCCCCCCCO 269982a_100015189458_100009813782 [1,0,0,1,0,0|1,0,1]=4 10092 B16R1.6680 C[C@@H]1CCCN1CCCCCCCCCO 34a_100015189458_100009813782 [1,0,0,1,0,0|1,0,1]=4 10093 B16R1.6680 C[C@H]1CCCN1CCCCCCCCCO 2230a_100020605311_100009813782 [1,0,0,1,0,0|1,0,1]=4 10094 B16R1.6680 C[C@H]1CCCN1CCCCCCCCCO 269982a_100020605311_100009813782 [1,0,0,1,0,0|1,0,1]=4 10095 B16R1.6680 NCCCCCCCCOC1CCCC1=O 34a_102515433106_100000709159 [1,0,0,1,0,0|2,0,0]=4 10096 B16R1.6680 O=C1CCCC1NCCCCCCCCO 2230a_102515433106_100000211823 [1,0,0,1,0,0|2,0,0]=4 10097 B16R1.6680 O=C1CCCC1NCCCCCCCCO 34a_102515433106_100000709159 [1,0,0,1,0,0|2,0,0]=4 10098 B16R1.6680 O=C1CCCC1OCCCCCCCCBr 34a_100009813846_100000709159 [1,0,0,1,0,0|2,0,0]=4 10099 B16R1.6680 O=C1CCCC1OCCCCCCCCBr 7a_100009813846_100000211823 [1,0,0,1,0,0|2,0,0]=4 10100 B16R1.6680 O=C1CCCC1OCCCCCCCCCl 34a_100000033203_100000709159 [1,0,0,1,0,0|2,0,0]=4 10101 B16R1.6680 O=C1CCCC1OCCCCCCCCCl 7a_100000033203_100000211823 [1,0,0,1,0,0|2,0,0]=4 10102 B16R1.6680 O=C1CCCC1OCCCCCCCCO 34a_200000719330_100000033203 [1,0,0,1,0,0|2,0,0]=4 10103 B16R1.6680 O=C1CCCC1SCCCCCCCCO 62a_100000033203_100000211823 [1,0,0,1,0,0|2,0,0]=4 10104 B16R1.6680 O=C1CCCC1SCCCCCCCCO 62a_100000211823_100000033203 [1,0,0,1,0,0|2,0,0]=4 10105 B16R1.6688 C=CCCCCCCCCCN1CCC1C 269982a_100000755817_100009814027 [1,0,0,1,0,0|2,0,0]=4 10106 B16R1.6688 C=CCCCCCCCCCN1CCC1C 34a_100000755817_100009814027 [1,0,0,1,0,0|2,0,0]=4 10107 B16R1.6688 CC1CCN1CCCCCCCCCCO 269982a_100000755817_100009813290 [1,0,0,1,0,0|1,0,1]=4 10108 B16R1.6688 CC1CCN1CCCCCCCCCCO 34a_100000755817_100009813290 [1,0,0,1,0,0|1,0,1]=4 10109 B16R1.6688 CCCCCCCCCCNC1CCC1=O 34a_100000684558_100009892977 [1,0,0,1,0,0|1,0,0]=3 10110 B16R1.6688 CCCCCCCCCCOC1CCC1=O 34a_100000210711_100009892977 [1,0,0,1,0,0|1,0,0]=3 10111 B16R1.6688 CCCCCCCCCCOC1CCC1=O 7a_100000210711_100009892977 [1,0,0,1,0,0|1,0,0]=3 10112 B16R1.6688 CCCCCCCCCCSC1CCC1=O 62a_100009892977_100000210320 [1,0,0,1,0,0|1,0,0]=3 10113 B16R1.6688 CCCCCCCCNCCC1CCC1=O 2230a_100000229939_200016118888 [1,0,0,1,0,0|1,0,0]=3 10114 B16R1.6688 CCCCCCCCOCCC1CCC1=O 7a_100000210232_200016118888 [1,0,0,1,0,0|1,0,0]=3 10115 B16R1.6688 CCCCCCCCSCCC1CCC1=O 62a_100000210759_200016118888 [1,0,0,1,0,0|1,0,0]=3 10116 B16R1.6688 CCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210317 [1,0,0,1,0,0|1,0,0]=3 10117 B16R1.6688 CCCCCOCCOCCC1CCC1=O 7a_100011215259_200016118888 [1,0,0,1,0,0|2,0,0]=4 10118 B16R1.6688 CCCCOCCCNCCC1CCC1=O 2230a_200000211371_200016118888 [1,0,0,1,0,0|2,0,0]=4 10119 B16R1.6688 CCCCOCCCOCCC1CCC1=O 7a_200011215613_200016118888 [1,0,0,1,0,0|2,0,0]=4 10120 B16R1.6688 COCCCCCCOCCC1CCC1=O 7a_200012092642_200016118888 [1,0,0,1,0,0|2,0,0]=4 10121 B16R1.6688 COCCCCCCSCCC1CCC1=O 62a_100011998445_200016118888 [1,0,0,1,0,0|2,0,0]=4 10122 B16R1.6688 COCCCCCCSCCC1CCC1=O 62a_200016118888_100011998445 [1,0,0,1,0,0|2,0,0]=4 10123 B16R1.6688 NCCCCCCCCCOC1CCC1=O 34a_100000078944_100009892977 [1,0,0,1,0,0|2,0,0]=4 10124 B16R1.6688 O=C1CCC1CCNCCCCCCCO 2230a_100011996573_200016118888 [1,0,0,1,0,0|2,0,0]=4 10125 B16R1.6688 O=C1CCC1CCOCCCCCCCBr 7a_100000760002_200016118888 [1,0,0,1,0,0|2,0,0]=4 10126 B16R1.6688 O=C1CCC1CCSCCCCCCCO 62a_100000760002_200016118888 [1,0,0,1,0,0|2,0,0]=4 10127 B16R1.6688 O=C1CCC1CCSCCCCCCCO 62a_200016118888_100000760002 [1,0,0,1,0,0|2,0,0]=4 10128 B16R1.6688 O=C1CCC1NCCCCCCCCCO 34a_100000078944_100009892977 [1,0,0,1,0,0|2,0,0]=4 10129 B16R1.6688 O=C1CCC1OCCCCCCCCCBr 34a_100009813782_100009892977 [1,0,0,1,0,0|2,0,0]=4 10130 B16R1.6688 O=C1CCC1OCCCCCCCCCBr 7a_100009813782_100009892977 [1,0,0,1,0,0|2,0,0]=4 10131 B16R1.6688 O=C1CCC1OCCCCCCCCCCl 34a_100009868337_100009892977 [1,0,0,1,0,0|2,0,0]=4 10132 B16R1.6688 O=C1CCC1OCCCCCCCCCCl 7a_100009868337_100009892977 [1,0,0,1,0,0|2,0,0]=4 10133 B16R1.6688 O=C1CCC1SCCCCCCCCCO 62a_100009813782_100009892977 [1,0,0,1,0,0|2,0,0]=4 10134 B16R1.6688 O=C1CCC1SCCCCCCCCCO 62a_100009892977_100009813782 [1,0,0,1,0,0|2,0,0]=4 10135 B16R1.7352 C=CCNC1CCCCCCCCCCC1 2230a_100011194316_100000210623 [1,0,0,1,0,0|2,0,0]=4 10136 B16R1.7352 C=CCNC1CCCCCCCCCCC1 270004a_100020586998_100000210130 [1,0,0,1,0,0|2,0,0]=4 10137 B16R1.7352 C=CCNC1CCCCCCCCCCC1 34a_100011194316_100015514636 [1,0,0,1,0,0|2,0,0]=4 10138 B16R1.7352 C=CCOC1CCCCCCCCCCC1 34a_100000211378_100015514636 [1,0,0,1,0,0|2,0,0]=4 10139 B16R1.7352 C=CCOC1CCCCCCCCCCC1 7a_100000211378_100015514636 [1,0,0,1,0,0|2,0,0]=4 10140 B16R1.7352 O=CCNC1CCCCCCCCCCC1 2230a_100011194316_200015260668 [1,0,0,1,0,0|1,0,0]=3 10141 B16R1.7352 O=CCNC1CCCCCCCCCCC1 34a_100011194316_200009817547 [1,0,0,1,0,0|1,0,0]=3 10142 B16R1.7352 O=CCOC1CCCCCCCCCCC1 34a_100000211378_200009817547 [1,0,0,1,0,0|1,0,0]=3 10143 B16R1.7352 O=CCOC1CCCCCCCCCCC1 7a_100000211378_200015260668 [1,0,0,1,0,0|1,0,0]=3 10144 B16R1.7352 OCCNC1CCCCCCCCCCC1 2230a_100011194316_100000211926 [1,0,0,1,0,0|1,0,1]=4 10145 B16R1.7352 OCCNC1CCCCCCCCCCC1 270004a_100000210304_100000210130 [1,0,0,1,0,0|1,0,1]=4 10146 B16R1.7352 OCCNC1CCCCCCCCCCC1 34a_100011194316_100000211926 [1,0,0,1,0,0|1,0,1]=4 10147 B16R1.7352 OCCOC1CCCCCCCCCCC1 34a_100000211378_100000211926 [1,0,0,1,0,0|1,0,1]=4 10148 B16R1.7352 OCCOC1CCCCCCCCCCC1 7a_100000211378_100000211926 [1,0,0,1,0,0|1,0,1]=4 10149 B16R1.8376 CCCC1CCCC1NCCCCCCO 269862a_100000686447_100000723119 [1,0,0,1,0,0|1,0,1]=4 10150 B16R1.8376 CCCC1CCCC1NCCCCCCO 270004a_100000686447_100000723119 [1,0,0,1,0,0|1,0,1]=4 10151 B16R1.8376 CCCN1CCCC1COCCCCC=O 7a_200000694710_100000139335 [1,0,0,1,0,0|2,0,0]=4 10152 B16R1.8379 C=CCCCCCCN1CCCCCCC1 2230a_100000211400_100011215473 [1,0,0,1,0,0|2,0,0]=4 10153 B16R1.8379 C=CCCCCCCN1CCCCCCC1 269982a_100000211400_100011215473 [1,0,0,1,0,0|2,0,0]=4 10154 B16R1.8379 C=CCCCCCCN1CCCCCCC1 34a_100000211400_100011215473 [1,0,0,1,0,0|2,0,0]=4 10155 B16R1.8379 C=CCCCCCNC1CCCCCCC1 2230a_100000211152_100000700193 [1,0,0,1,0,0|2,0,0]=4 10156 B16R1.8379 C=CCCCCCNC1CCCCCCC1 34a_100000211152_100000700193 [1,0,0,1,0,0|2,0,0]=4 10157 B16R1.8379 C=CCCCCCOC1CCCCCCC1 34a_100000210054_100000700193 [1,0,0,1,0,0|2,0,0]=4 10158 B16R1.8379 C=CCCCCCOC1CCCCCCC1 7a_100000210054_100000700193 [1,0,0,1,0,0|2,0,0]=4 10159 B16R1.8379 C=CCCCCOCC1CCCCCCC1 34a_100011216312_100011215482 [1,0,0,1,0,0|2,0,0]=4 10160 B16R1.8379 C=CCCCCOCC1CCCCCCC1 7a_100011216312_100011215482 [1,0,0,1,0,0|2,0,0]=4 10161 B16R1.8379 C=CCCCNCCC1CCCCCCC1 2230a_100011532352_100011713584 [1,0,0,1,0,0|2,0,0]=4 10162 B16R1.8379 C=CCCCNCCC1CCCCCCC1 34a_100011532352_100000757094 [1,0,0,1,0,0|2,0,0]=4 10163 B16R1.8379 CCCCCCCOC1C=CCCCCC1 34a_100000688657_100000210614 [1,0,0,1,0,0|2,0,0]=4 10164 B16R1.8379 O=CCCCCCNC1CCCCCCC1 2230a_100000211152_100000139337 [1,0,0,1,0,0|1,0,0]=3 10165 B16R1.8379 O=CCCCCCOC1CCCCCCC1 7a_100000210054_100000139337 [1,0,0,1,0,0|1,0,0]=3 10166 B16R1.8379 O=CCCCCOCC1CCCCCCC1 7a_100011216312_100000139335 [1,0,0,1,0,0|1,0,0]=3 10167 B16R1.8379 O=CCCCNCCC1CCCCCCC1 2230a_100011532352_200011292268 [1,0,0,1,0,0|1,0,0]=3 10168 B16R1.8379 OCCCCCCCN1CCCCCCC1 2230a_100000211400_100000760002 [1,0,0,1,0,0|1,0,1]=4 10169 B16R1.8379 OCCCCCCCN1CCCCCCC1 269982a_100000211400_100000760002 [1,0,0,1,0,0|1,0,1]=4 10170 B16R1.8379 OCCCCCCCN1CCCCCCC1 34a_100000211400_100000760002 [1,0,0,1,0,0|1,0,1]=4 10171 B16R1.8379 OCCCCCCNC1CCCCCCC1 2230a_100000211152_100000766143 [1,0,0,1,0,0|1,0,1]=4 10172 B16R1.8379 OCCCCCCNC1CCCCCCC1 270004a_100000686447_100000210524 [1,0,0,1,0,0|1,0,1]=4 10173 B16R1.8379 OCCCCCCNC1CCCCCCC1 34a_100000211152_100000766143 [1,0,0,1,0,0|1,0,1]=4 10174 B16R1.8379 OCCCCCCOC1CCCCCCC1 34a_100000210054_100000766143 [1,0,0,1,0,0|1,0,1]=4 10175 B16R1.8379 OCCCCCCOC1CCCCCCC1 7a_100000210054_100000766143 [1,0,0,1,0,0|1,0,1]=4 10176 B16R1.8379 OCCCCCOCC1CCCCCCC1 34a_100011216312_100000746330 [1,0,0,1,0,0|1,0,1]=4 10177 B16R1.8379 OCCCCCOCC1CCCCCCC1 7a_100011216312_100000746330 [1,0,0,1,0,0|1,0,1]=4 10178 B16R1.8379 OCCCCNCCC1CCCCCCC1 2230a_100011532352_100000210776 [1,0,0,1,0,0|1,0,1]=4 10179 B16R1.8379 OCCCCNCCC1CCCCCCC1 34a_100011532352_100011216708 [1,0,0,1,0,0|1,0,1]=4 10180 B16R1.17455 C=CCCCCCCCCCCNC1CC1 34a_100000212008_100011093070 [1,0,0,1,0,0|2,0,0]=4 10181 B16R1.17455 C=CCCCCCCCCCCSC1CC1 62a_100011093070_100000211595 [1,0,0,1,0,0|2,0,0]=4 10182 B16R1.17455 C=CCCCCCCCCCNCC1CC1 2230a_100000081888_100000742324 [1,0,0,1,0,0|2,0,0]=4 10183 B16R1.17455 C=CCCCCCCCCCNCC1CC1 2230a_100000735609_100009814027 [1,0,0,1,0,0|2,0,0]=4 10184 B16R1.17455 C=CCCCCCCCCCNCC1CC1 269862a_100000081888_100000741477 [1,0,0,1,0,0|2,0,0]=4 10185 B16R1.17455 C=CCCCCCCCCCNCC1CC1 34a_100000081888_100000742324 [1,0,0,1,0,0|2,0,0]=4 10186 B16R1.17455 C=CCCCCCCCCCNCC1CC1 34a_100000735609_100009814027 [1,0,0,1,0,0|2,0,0]=4 10187 B16R1.17455 C=CCCCCCCCCCOCC1CC1 34a_100000038209_100000742324 [1,0,0,1,0,0|2,0,0]=4 10188 B16R1.17455 C=CCCCCCCCCCOCC1CC1 34a_100000211283_100009814027 [1,0,0,1,0,0|2,0,0]=4 10189 B16R1.17455 C=CCCCCCCCCCOCC1CC1 7a_100000038209_100000742324 [1,0,0,1,0,0|2,0,0]=4 10190 B16R1.17455 C=CCCCCCCCCCSCC1CC1 62a_100000756562_100009814027 [1,0,0,1,0,0|2,0,0]=4 10191 B16R1.17455 C=CCCCCCCCCCSCC1CC1 62a_100009814027_100000742324 [1,0,0,1,0,0|2,0,0]=4 10192 B16R1.17455 C=CCCCCCCCCNCCC1CC1 34a_100000764129_100011933949 [1,0,0,1,0,0|2,0,0]=4 10193 B16R1.17455 C=CCCCCCCCCOCCC1CC1 34a_100000754188_100011933949 [1,0,0,1,0,0|2,0,0]=4 10194 B16R1.17455 C=CCCCCCCCCOCCC1CC1 34a_100011215194_100000694398 [1,0,0,1,0,0|2,0,0]=4 10195 B16R1.17455 C=CCCCCCCCCOCCC1CC1 7a_100000754188_100011933949 [1,0,0,1,0,0|2,0,0]=4 10196 B16R1.17455 C=CCCCCCCCCOCCC1CC1 7a_100011215194_100000764125 [1,0,0,1,0,0|2,0,0]=4 10197 B16R1.17455 C=CCCCCCCCCSCCC1CC1 62a_100000764125_100011933949 [1,0,0,1,0,0|2,0,0]=4 10198 B16R1.17455 C=CCCCCCCCCSCCC1CC1 62a_100011933949_100000764125 [1,0,0,1,0,0|2,0,0]=4 10199 B16R1.17455 CCCCCCCCCCCNCC1CO1 2230a_200011215754_100011216344 [1,0,0,1,0,0|1,0,1]=4 10200 B16R1.17455 CCCCCCCCCCCNCC1CO1 34a_200011215754_102125554688 [1,0,0,1,0,0|1,0,1]=4 10201 B16R1.17455 CCCCCCCCCCCOCC1CO1 34a_100000210809_102125554688 [1,0,0,1,0,0|1,0,1]=4 10202 B16R1.17455 CCCCCCCCCCCOCC1CO1 7a_100000210809_102125554688 [1,0,0,1,0,0|1,0,1]=4 10203 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215454 [1,0,0,1,0,0|1,0,1]=4 10204 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 7a_100000210809_100000745022 [1,0,0,1,0,0|1,0,1]=4 10205 B16R1.17455 CCCCCCCCCCCSCC1CO1 62a_102125554688_100011215454 [1,0,0,1,0,0|1,0,1]=4 10206 B16R1.17455 CCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215454 [1,0,0,1,0,0|1,0,1]=4 10207 B16R1.17455 CCCCCCCCCCNCCC1CO1 2230a_100000684558_100000732470 [1,0,0,1,0,0|1,0,1]=4 10208 B16R1.17455 CCCCCCCCCCNCCC1CO1 34a_100000684558_100000732470 [1,0,0,1,0,0|1,0,1]=4 10209 B16R1.17455 CCCCCCCCCCOCCC1CO1 34a_100000210711_100000732470 [1,0,0,1,0,0|1,0,1]=4 10210 B16R1.17455 CCCCCCCCCCOCCC1CO1 7a_100000210711_100000732470 [1,0,0,1,0,0|1,0,1]=4 10211 B16R1.17455 CCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210320 [1,0,0,1,0,0|1,0,1]=4 10212 B16R1.17455 CCCCCCCCCCSCCC1CO1 62a_100000732470_100000210320 [1,0,0,1,0,0|1,0,1]=4 10213 B16R1.17455 CCCCCCCCCNCCCC1CO1 2230a_100000212291_100000733510 [1,0,0,1,0,0|1,0,1]=4 10214 B16R1.17455 CCCCCCCCCNCCCC1CO1 34a_100000212291_100000733510 [1,0,0,1,0,0|1,0,1]=4 10215 B16R1.17455 CCCCCCCCCOCCCC1CO1 34a_100000210712_100000733510 [1,0,0,1,0,0|1,0,1]=4 10216 B16R1.17455 CCCCCCCCCOCCCC1CO1 7a_100000210712_100000733510 [1,0,0,1,0,0|1,0,1]=4 10217 B16R1.17455 CCCCCCCCCSCCCC1CO1 62a_100000733510_100000210670 [1,0,0,1,0,0|1,0,1]=4 10218 B16R1.17455 OCCCCCCCCCCCNC1CC1 34a_100000212008_100009812471 [1,0,0,1,0,0|1,0,1]=4 10219 B16R1.17455 OCCCCCCCCCCCSC1CC1 62a_100009812471_100000211595 [1,0,0,1,0,0|1,0,1]=4 10220 B16R1.17455 OCCCCCCCCCCNCC1CC1 2230a_100000066964_100000742324 [1,0,0,1,0,0|1,0,1]=4 10221 B16R1.17455 OCCCCCCCCCCNCC1CC1 2230a_100000735609_100009813290 [1,0,0,1,0,0|1,0,1]=4 10222 B16R1.17455 OCCCCCCCCCCNCC1CC1 269862a_100000066964_100000741477 [1,0,0,1,0,0|1,0,1]=4 10223 B16R1.17455 OCCCCCCCCCCNCC1CC1 34a_100000066964_100000742324 [1,0,0,1,0,0|1,0,1]=4 10224 B16R1.17455 OCCCCCCCCCCNCC1CC1 34a_100000735609_100009813290 [1,0,0,1,0,0|1,0,1]=4 10225 B16R1.17455 OCCCCCCCCCCOCC1CC1 34a_100000211283_100009813290 [1,0,0,1,0,0|1,0,1]=4 10226 B16R1.17455 OCCCCCCCCCCSCC1CC1 62a_100000756562_200000033068 [1,0,0,1,0,0|1,0,1]=4 10227 B16R1.17455 OCCCCCCCCCCSCC1CC1 62a_100009813290_100000742324 [1,0,0,1,0,0|1,0,1]=4 10228 B16R1.17455 OCCCCCCCCCNCCC1CC1 2230a_100000078944_100000694398 [1,0,0,1,0,0|1,0,1]=4 10229 B16R1.17455 OCCCCCCCCCNCCC1CC1 34a_100000078944_100000694398 [1,0,0,1,0,0|1,0,1]=4 10230 B16R1.17455 OCCCCCCCCCNCCC1CC1 34a_100000764129_100009813782 [1,0,0,1,0,0|1,0,1]=4 10231 B16R1.17455 OCCCCCCCCCOCCC1CC1 34a_100000754188_100009813782 [1,0,0,1,0,0|1,0,1]=4 10232 B16R1.17455 OCCCCCCCCCOCCC1CC1 7a_100000754188_100009813782 [1,0,0,1,0,0|1,0,1]=4 10233 B16R1.17455 OCCCCCCCCCSCCC1CC1 62a_100000764125_100009813782 [1,0,0,1,0,0|1,0,1]=4 10234 B16R1.17455 OCCCCCCCCCSCCC1CC1 62a_100009813782_100000764125 [1,0,0,1,0,0|1,0,1]=4 10235 B16R1.17539 C=CCCCCCCCN1CCCCCC1 2230a_100000185865_100012355270 [1,0,0,1,0,0|2,0,0]=4 10236 B16R1.17539 C=CCCCCCCCN1CCCCCC1 269982a_100000185865_100012355270 [1,0,0,1,0,0|2,0,0]=4 10237 B16R1.17539 C=CCCCCCCCN1CCCCCC1 34a_100000185865_100012355270 [1,0,0,1,0,0|2,0,0]=4 10238 B16R1.17539 C=CCCCCCCNC1CCCCCC1 2230a_100000210984_100011215473 [1,0,0,1,0,0|2,0,0]=4 10239 B16R1.17539 C=CCCCCCCNC1CCCCCC1 34a_100000210984_100011215473 [1,0,0,1,0,0|2,0,0]=4 10240 B16R1.17539 C=CCCCCCCOC1CCCCCC1 34a_100000210887_100011215473 [1,0,0,1,0,0|2,0,0]=4 10241 B16R1.17539 C=CCCCCCCOC1CCCCCC1 34a_200011216477_100011217769 [1,0,0,1,0,0|2,0,0]=4 10242 B16R1.17539 C=CCCCCCCOC1CCCCCC1 7a_100000210887_100011215473 [1,0,0,1,0,0|2,0,0]=4 10243 B16R1.17539 C=CCCCCCCSC1CCCCCC1 62a_100011215473_100011217769 [1,0,0,1,0,0|2,0,0]=4 10244 B16R1.17539 C=CCCCCCCSC1CCCCCC1 62a_100011217769_100011215473 [1,0,0,1,0,0|2,0,0]=4 10245 B16R1.17539 C=CCCCCCNCC1CCCCCC1 2230a_100015204231_100000700193 [1,0,0,1,0,0|2,0,0]=4 10246 B16R1.17539 C=CCCCCCNCC1CCCCCC1 34a_100015204231_100000700193 [1,0,0,1,0,0|2,0,0]=4 10247 B16R1.17539 C=CCCCCCOCC1CCCCCC1 34a_100000699130_100000700193 [1,0,0,1,0,0|2,0,0]=4 10248 B16R1.17539 C=CCCCCCOCC1CCCCCC1 34a_100011216702_200000696569 [1,0,0,1,0,0|2,0,0]=4 10249 B16R1.17539 C=CCCCCCOCC1CCCCCC1 7a_100000699130_100000700193 [1,0,0,1,0,0|2,0,0]=4 10250 B16R1.17539 C=CCCCCCOCC1CCCCCC1 7a_100011216702_200000696569 [1,0,0,1,0,0|2,0,0]=4 10251 B16R1.17539 C=CCCCCCSCC1CCCCCC1 62a_100000700193_200000696569 [1,0,0,1,0,0|2,0,0]=4 10252 B16R1.17539 C=CCCCCCSCC1CCCCCC1 62a_200000696569_100000700193 [1,0,0,1,0,0|2,0,0]=4 10253 B16R1.17539 C=CCCCCNCCC1CCCCCC1 2230a_100011532351_100011215482 [1,0,0,1,0,0|2,0,0]=4 10254 B16R1.17539 C=CCCCCNCCC1CCCCCC1 34a_100011532351_100011215482 [1,0,0,1,0,0|2,0,0]=4 10255 B16R1.17539 O=CCCCCCNCC1CCCCCC1 2230a_100015204231_100000139337 [1,0,0,1,0,0|1,0,0]=3 10256 B16R1.17539 O=CCCCCCOCC1CCCCCC1 7a_100000699130_100000139337 [1,0,0,1,0,0|1,0,0]=3 10257 B16R1.17539 O=CCCCCCSCC1CCCCCC1 62a_100000139337_200000696569 [1,0,0,1,0,0|1,0,0]=3 10258 B16R1.17539 O=CCCCCCSCC1CCCCCC1 62a_200000696569_100000139337 [1,0,0,1,0,0|1,0,0]=3 10259 B16R1.17539 O=CCCCCNCCC1CCCCCC1 2230a_100011532351_100000139335 [1,0,0,1,0,0|1,0,0]=3 10260 B16R1.17539 O=CCCCCSCCN1CCCCCC1 62a_100000139335_100000722644 [1,0,0,1,0,0|2,0,0]=4 10261 B16R1.17539 O=CCCCCSCCN1CCCCCC1 62a_100000722644_100000139335 [1,0,0,1,0,0|2,0,0]=4 10262 B16R1.17539 O=CCCCOCCCN1CCCCCC1 7a_100102886287_200011292268 [1,0,0,1,0,0|2,0,0]=4 10263 B16R1.17539 OCCCCCCCCN1CCCCCC1 2230a_100000185865_100000033203 [1,0,0,1,0,0|1,0,1]=4 10264 B16R1.17539 OCCCCCCCCN1CCCCCC1 269982a_100000185865_100000033203 [1,0,0,1,0,0|1,0,1]=4 10265 B16R1.17539 OCCCCCCCCN1CCCCCC1 34a_100000185865_100000033203 [1,0,0,1,0,0|1,0,1]=4 10266 B16R1.17539 OCCCCCCCNC1CCCCCC1 2230a_100000210984_100000760002 [1,0,0,1,0,0|1,0,1]=4 10267 B16R1.17539 OCCCCCCCNC1CCCCCC1 270004a_100011996573_100000210131 [1,0,0,1,0,0|1,0,1]=4 10268 B16R1.17539 OCCCCCCCNC1CCCCCC1 34a_100000210984_100000760002 [1,0,0,1,0,0|1,0,1]=4 10269 B16R1.17539 OCCCCCCCNC1CCCCCC1 34a_100011996573_100011217769 [1,0,0,1,0,0|1,0,1]=4 10270 B16R1.17539 OCCCCCCCOC1CCCCCC1 34a_100000210887_100000760002 [1,0,0,1,0,0|1,0,1]=4 10271 B16R1.17539 OCCCCCCCOC1CCCCCC1 7a_100000210887_100000760002 [1,0,0,1,0,0|1,0,1]=4 10272 B16R1.17539 OCCCCCCCSC1CCCCCC1 62a_100000760002_100011217769 [1,0,0,1,0,0|1,0,1]=4 10273 B16R1.17539 OCCCCCCCSC1CCCCCC1 62a_100011217769_100000760002 [1,0,0,1,0,0|1,0,1]=4 10274 B16R1.17539 OCCCCCCNCC1CCCCCC1 2230a_100000686447_200000696569 [1,0,0,1,0,0|1,0,1]=4 10275 B16R1.17539 OCCCCCCNCC1CCCCCC1 2230a_100015204231_100000766143 [1,0,0,1,0,0|1,0,1]=4 10276 B16R1.17539 OCCCCCCNCC1CCCCCC1 269862a_100000686447_200000763224 [1,0,0,1,0,0|1,0,1]=4 10277 B16R1.17539 OCCCCCCNCC1CCCCCC1 34a_100000686447_200000696569 [1,0,0,1,0,0|1,0,1]=4 10278 B16R1.17539 OCCCCCCNCC1CCCCCC1 34a_100015204231_100000766143 [1,0,0,1,0,0|1,0,1]=4 10279 B16R1.17539 OCCCCCCOCC1CCCCCC1 34a_100000699130_100000766143 [1,0,0,1,0,0|1,0,1]=4 10280 B16R1.17539 OCCCCCCOCC1CCCCCC1 7a_100000699130_100000766143 [1,0,0,1,0,0|1,0,1]=4 10281 B16R1.17539 OCCCCCCSCC1CCCCCC1 62a_100000766143_200000696569 [1,0,0,1,0,0|1,0,1]=4 10282 B16R1.17539 OCCCCCCSCC1CCCCCC1 62a_200000696569_100000766143 [1,0,0,1,0,0|1,0,1]=4 10283 B16R1.17539 OCCCCCNCCC1CCCCCC1 2230a_100011532351_100000746330 [1,0,0,1,0,0|1,0,1]=4 10284 B16R1.17539 OCCCCCNCCC1CCCCCC1 34a_100011532351_100000746330 [1,0,0,1,0,0|1,0,1]=4 10285 B16R1.20288 C=CCC1CCCCC1NCCCCCC 269862a_100000210581_100011214939 [1,0,0,1,0,0|2,0,0]=4 10286 B16R1.20288 C=CCC1CCCCC1NCCCCCC 270004a_100000210581_100011214939 [1,0,0,1,0,0|2,0,0]=4 10287 B16R1.20288 C=CCCCCCN1CCCCC1CCC 2230a_100000701414_100000700193 [1,0,0,1,0,0|2,0,0]=4 10288 B16R1.20288 C=CCCCCCN1CCCCC1CCC 269982a_100000701414_100000700193 [1,0,0,1,0,0|2,0,0]=4 10289 B16R1.20288 C=CCCCCCN1CCCCC1CCC 34a_100000701414_100000700193 [1,0,0,1,0,0|2,0,0]=4 10290 B16R1.20288 C=CCCCCNC1CCCCC1CCC 269862a_100000703577_100011218038 [1,0,0,1,0,0|2,0,0]=4 10291 B16R1.20288 C=CCCCCNC1CCCCC1CCC 270004a_100000703577_100011218038 [1,0,0,1,0,0|2,0,0]=4 10292 B16R1.20288 C=CCCCCOC1CCCCC1CCC 34a_100011217265_100011215482 [1,0,0,1,0,0|2,0,0]=4 10293 B16R1.20288 C=CCCCCOC1CCCCC1CCC 7a_100011217265_100011215482 [1,0,0,1,0,0|2,0,0]=4 10294 B16R1.20288 CCCC1CCCCC1NCCCCCO 269862a_100000762737_100011218038 [1,0,0,1,0,0|1,0,1]=4 10295 B16R1.20288 CCCC1CCCCC1NCCCCCO 270004a_100000762737_100011218038 [1,0,0,1,0,0|1,0,1]=4 10296 B16R1.20288 CCCC1CCCCC1OCCCCC=O 7a_100011217265_100000139335 [1,0,0,1,0,0|1,0,0]=3 10297 B16R1.20288 CCCC1CCCCC1OCCCCCO 34a_100011217265_100000746330 [1,0,0,1,0,0|1,0,1]=4 10298 B16R1.20288 CCCC1CCCCC1OCCCCCO 7a_100011217265_100000746330 [1,0,0,1,0,0|1,0,1]=4 10299 B16R1.20288 CCCC1CCCCN1CCCCCC=O 2230a_100000701414_100000139337 [1,0,0,1,0,0|1,0,0]=3 10300 B16R1.20288 CCCC1CCCCN1CCCCCC=O 269982a_100000701414_100000139337 [1,0,0,1,0,0|1,0,0]=3 10301 B16R1.20288 CCCC1CCCCN1CCCCCCO 2230a_100000701414_100000766143 [1,0,0,1,0,0|1,0,1]=4 10302 B16R1.20288 CCCC1CCCCN1CCCCCCO 269982a_100000701414_100000766143 [1,0,0,1,0,0|1,0,1]=4 10303 B16R1.20288 CCCC1CCCCN1CCCCCCO 34a_100000701414_100000766143 [1,0,0,1,0,0|1,0,1]=4 10304 B16R1.20288 CCCC1COCCN1CCCCCC=O 2230a_102495339903_100000139337 [1,0,0,1,0,0|2,0,0]=4 10305 B16R1.20288 CCCC1COCCN1CCCCCC=O 269982a_102495339903_100000139337 [1,0,0,1,0,0|2,0,0]=4 10306 B16R1.20288 CCCCCCCN1CCCCC1CCO 2230a_100000211664_100000210681 [1,0,0,1,0,0|1,0,1]=4 10307 B16R1.20288 CCCCCCCN1CCCCC1CCO 269982a_100000211664_100000210681 [1,0,0,1,0,0|1,0,1]=4 10308 B16R1.20288 CCCCCCCN1CCCCC1CCO 34a_100000211664_100000210614 [1,0,0,1,0,0|1,0,1]=4 10309 B16R1.20288 COCC1CCCCN1CCCCCC=O 2230a_100015184032_100000139337 [1,0,0,1,0,0|2,0,0]=4 10310 B16R1.20288 COCC1CCCCN1CCCCCC=O 269982a_100015184032_100000139337 [1,0,0,1,0,0|2,0,0]=4 10311 B16R1.20288 O=CCCCCCN1CCCCC1CCO 2230a_100000211664_100000139337 [1,0,0,1,0,0|2,0,0]=4 10312 B16R1.20288 O=CCCCCCN1CCCCC1CCO 269982a_100000211664_100000139337 [1,0,0,1,0,0|2,0,0]=4 10313 B16R1.20290 C=CCCCCCN1CCCCCCCC1 2230a_100000039187_100000700193 [1,0,0,1,0,0|2,0,0]=4 10314 B16R1.20290 C=CCCCCCN1CCCCCCCC1 269982a_100000039187_100000700193 [1,0,0,1,0,0|2,0,0]=4 10315 B16R1.20290 C=CCCCCCN1CCCCCCCC1 34a_100000039187_100000700193 [1,0,0,1,0,0|2,0,0]=4 10316 B16R1.20290 C=CCCCCNC1CCCCCCCC1 270004a_100000703577_100000038600 [1,0,0,1,0,0|2,0,0]=4 10317 B16R1.20290 O=CCCCCCN1CCCCCCCC1 2230a_100000039187_100000139337 [1,0,0,1,0,0|1,0,0]=3 10318 B16R1.20290 O=CCCCCCN1CCCCCCCC1 269982a_100000039187_100000139337 [1,0,0,1,0,0|1,0,0]=3 10319 B16R1.20290 OCCCCCCN1CCCCCCCC1 2230a_100000039187_100000766143 [1,0,0,1,0,0|1,0,1]=4 10320 B16R1.20290 OCCCCCCN1CCCCCCCC1 269982a_100000039187_100000766143 [1,0,0,1,0,0|1,0,1]=4 10321 B16R1.20290 OCCCCCCN1CCCCCCCC1 34a_100000039187_100000766143 [1,0,0,1,0,0|1,0,1]=4 10322 B16R1.20290 OCCCCCNC1CCCCCCCC1 270004a_100000762737_100000038600 [1,0,0,1,0,0|1,0,1]=4 10323 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [1,0,0,1,0,0|2,0,0]=4 10324 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [1,0,0,1,0,0|2,0,0]=4 10325 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [1,0,0,1,0,0|2,0,0]=4 10326 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [1,0,0,1,0,0|2,0,0]=4 10327 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [1,0,0,1,0,0|2,0,0]=4 10328 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [1,0,0,1,0,0|2,0,0]=4 10329 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 10330 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 10331 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 10332 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [1,0,0,1,0,0|2,0,0]=4 10333 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [1,0,0,1,0,0|2,0,0]=4 10334 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [1,0,0,1,0,0|2,0,0]=4 10335 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [1,0,0,1,0,0|2,0,0]=4 10336 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [1,0,0,1,0,0|2,0,0]=4 10337 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [1,0,0,1,0,0|2,0,0]=4 10338 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [1,0,0,1,0,0|2,0,0]=4 10339 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [1,0,0,1,0,0|2,0,0]=4 10340 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [1,0,0,1,0,0|2,0,0]=4 10341 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [1,0,0,1,0,0|2,0,0]=4 10342 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [1,0,0,1,0,0|2,0,0]=4 10343 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [1,0,0,1,0,0|2,0,0]=4 10344 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [1,0,0,1,0,0|2,0,0]=4 10345 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [1,0,0,1,0,0|2,0,0]=4 10346 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [1,0,0,1,0,0|2,0,0]=4 10347 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [1,0,0,1,0,0|2,0,0]=4 10348 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [1,0,0,1,0,0|2,0,0]=4 10349 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [1,0,0,1,0,0|2,0,0]=4 10350 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [1,0,0,1,0,0|2,0,0]=4 10351 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [1,0,0,1,0,0|2,0,0]=4 10352 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [1,0,0,1,0,0|2,0,0]=4 10353 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [1,0,0,1,0,0|2,0,0]=4 10354 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [1,0,0,1,0,0|2,0,0]=4 10355 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [1,0,0,1,0,0|2,0,0]=4 10356 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [1,0,0,1,0,0|2,0,0]=4 10357 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [1,0,0,1,0,0|2,0,0]=4 10358 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [1,0,0,1,0,0|2,0,0]=4 10359 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [1,0,0,1,0,0|2,0,0]=4 10360 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [1,0,0,1,0,0|2,0,0]=4 10361 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [1,0,0,1,0,0|2,0,0]=4 10362 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [1,0,0,1,0,0|2,0,0]=4 10363 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [1,0,0,1,0,0|2,0,0]=4 10364 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [1,0,0,1,0,0|2,0,0]=4 10365 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [1,0,0,1,0,0|2,0,0]=4 10366 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [1,0,0,1,0,0|2,0,0]=4 10367 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [1,0,0,1,0,0|2,0,0]=4 10368 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [1,0,0,1,0,0|2,0,0]=4 10369 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [1,0,0,1,0,0|2,0,0]=4 10370 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [1,0,0,1,0,0|2,0,0]=4 10371 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [1,0,0,1,0,0|2,0,0]=4 10372 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [1,0,0,1,0,0|2,0,0]=4 10373 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [1,0,0,1,0,0|2,0,0]=4 10374 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [1,0,0,1,0,0|2,0,0]=4 10375 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [1,0,0,1,0,0|2,0,0]=4 10376 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [1,0,0,1,0,0|2,0,0]=4 10377 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [1,0,0,1,0,0|2,0,0]=4 10378 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [1,0,0,1,0,0|1,0,1]=4 10379 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [1,0,0,1,0,0|2,0,0]=4 10380 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [1,0,0,1,0,0|2,0,0]=4 10381 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [1,0,0,1,0,0|2,0,0]=4 10382 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 2230a_100000229939_100000181169 [1,0,0,1,0,0|2,0,0]=4 10383 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 34a_100000229939_100000181169 [1,0,0,1,0,0|2,0,0]=4 10384 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [1,0,0,1,0,0|2,0,0]=4 10385 B16R1.642 CCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229939_100015189358 [1,0,0,1,0,0|2,0,0]=4 10386 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210759 [1,0,0,1,0,0|2,0,0]=4 10387 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210759 [1,0,0,1,0,0|2,0,0]=4 10388 B16R1.642 CCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210759 [1,0,0,1,0,0|2,0,0]=4 10389 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100000210232_100000181169 [1,0,0,1,0,0|2,0,0]=4 10390 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210759 [1,0,0,1,0,0|2,0,0]=4 10391 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 7a_100000210232_100000181169 [1,0,0,1,0,0|2,0,0]=4 10392 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [1,0,0,1,0,0|2,0,0]=4 10393 B16R1.642 CCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210232_100015189358 [1,0,0,1,0,0|2,0,0]=4 10394 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210317 [1,0,0,1,0,0|2,0,0]=4 10395 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000210759_100000181169 [1,0,0,1,0,0|2,0,0]=4 10396 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [1,0,0,1,0,0|2,0,0]=4 10397 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [1,0,0,1,0,0|2,0,0]=4 10398 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210759_100015189358 [1,0,0,1,0,0|2,0,0]=4 10399 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210317 [1,0,0,1,0,0|2,0,0]=4 10400 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [1,0,0,1,0,0|2,0,0]=4 10401 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [1,0,0,1,0,0|2,0,0]=4 10402 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [1,0,0,1,0,0|2,0,0]=4 10403 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [1,0,0,1,0,0|2,0,0]=4 10404 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [1,0,0,1,0,0|2,0,0]=4 10405 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [1,0,0,1,0,0|2,0,0]=4 10406 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [1,0,0,1,0,0|2,0,0]=4 10407 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [1,0,0,1,0,0|2,0,0]=4 10408 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [1,0,0,1,0,0|2,0,0]=4 10409 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [1,0,0,1,0,0|2,0,0]=4 10410 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [1,0,0,1,0,0|2,0,0]=4 10411 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [1,0,0,1,0,0|2,0,0]=4 10412 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [1,0,0,1,0,0|2,0,0]=4 10413 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [1,0,0,1,0,0|2,0,0]=4 10414 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [1,0,0,1,0,0|2,0,0]=4 10415 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [1,0,0,1,0,0|2,0,0]=4 10416 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [1,0,0,1,0,0|2,0,0]=4 10417 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [1,0,0,1,0,0|2,0,0]=4 10418 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [1,0,0,1,0,0|2,0,0]=4 10419 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [1,0,0,1,0,0|2,0,0]=4 10420 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [1,0,0,1,0,0|2,0,0]=4 10421 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [1,0,0,1,0,0|2,0,0]=4 10422 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [1,0,0,1,0,0|2,0,0]=4 10423 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [1,0,0,1,0,0|2,0,0]=4 10424 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [1,0,0,1,0,0|2,0,0]=4 10425 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [1,0,0,1,0,0|2,0,0]=4 10426 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [1,0,0,1,0,0|2,0,0]=4 10427 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [1,0,0,1,0,0|1,0,1]=4 10428 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [1,0,0,1,0,0|1,0,0]=3 10429 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [1,0,0,1,0,0|2,0,0]=4 10430 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [1,0,0,1,0,0|2,0,0]=4 10431 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [1,0,0,1,0,0|2,0,0]=4 10432 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [1,0,0,1,0,0|2,0,0]=4 10433 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [1,0,0,1,0,0|2,0,0]=4 10434 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [1,0,0,1,0,0|2,0,0]=4 10435 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [1,0,0,1,0,0|2,0,0]=4 10436 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [1,0,0,1,0,0|2,0,0]=4 10437 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [1,0,0,1,0,0|2,0,0]=4 10438 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [1,0,0,1,0,0|1,0,0]=3 10439 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [1,0,0,1,0,0|2,0,0]=4 10440 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [1,0,0,1,0,0|2,0,0]=4 10441 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [1,0,0,1,0,0|2,0,0]=4 10442 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [1,0,0,1,0,0|1,0,0]=3 10443 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [1,0,0,1,0,0|2,0,0]=4 10444 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [1,0,0,1,0,0|2,0,0]=4 10445 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [1,0,0,1,0,0|2,0,0]=4 10446 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [1,0,0,1,0,0|2,0,0]=4 10447 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [1,0,0,1,0,0|2,0,0]=4 10448 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [1,0,0,1,0,0|2,0,0]=4 10449 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [1,0,0,1,0,0|2,0,0]=4 10450 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [1,0,0,1,0,0|2,0,0]=4 10451 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [1,0,0,1,0,0|2,0,0]=4 10452 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [1,0,0,1,0,0|1,0,0]=3 10453 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [1,0,0,1,0,0|2,0,0]=4 10454 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [1,0,0,1,0,0|2,0,0]=4 10455 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [1,0,0,1,0,0|2,0,0]=4 10456 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [1,0,0,1,0,0|2,0,0]=4 10457 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [1,0,0,1,0,0|2,0,0]=4 10458 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [1,0,0,1,0,0|2,0,0]=4 10459 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [1,0,0,1,0,0|1,0,0]=3 10460 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [1,0,0,1,0,0|2,0,0]=4 10461 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [1,0,0,1,0,0|2,0,0]=4 10462 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [1,0,0,1,0,0|2,0,0]=4 10463 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [1,0,0,1,0,0|2,0,0]=4 10464 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [1,0,0,1,0,0|1,0,0]=3 10465 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [1,0,0,1,0,0|2,0,0]=4 10466 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [1,0,0,1,0,0|2,0,0]=4 10467 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [1,0,0,1,0,0|2,0,0]=4 10468 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [1,0,0,1,0,0|2,0,0]=4 10469 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [1,0,0,1,0,0|2,0,0]=4 10470 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [1,0,0,1,0,0|2,0,0]=4 10471 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [1,0,0,1,0,0|2,0,0]=4 10472 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [1,0,0,1,0,0|2,0,0]=4 10473 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [1,0,0,1,0,0|2,0,0]=4 10474 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [1,0,0,1,0,0|2,0,0]=4 10475 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [1,0,0,1,0,0|2,0,0]=4 10476 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [1,0,0,1,0,0|2,0,0]=4 10477 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [1,0,0,1,0,0|2,0,0]=4 10478 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 10479 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 10480 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 10481 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [1,0,0,1,0,0|2,0,0]=4 10482 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [1,0,0,1,0,0|2,0,0]=4 10483 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [1,0,0,1,0,0|2,0,0]=4 10484 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [1,0,0,1,0,0|2,0,0]=4 10485 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [1,0,0,1,0,0|2,0,0]=4 10486 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [1,0,0,1,0,0|1,0,0]=3 10487 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [1,0,0,1,0,0|2,0,0]=4 10488 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [1,0,0,1,0,0|2,0,0]=4 10489 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [1,0,0,1,0,0|2,0,0]=4 10490 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [1,0,0,1,0,0|2,0,0]=4 10491 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [1,0,0,1,0,0|2,0,0]=4 10492 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [1,0,0,1,0,0|2,0,0]=4 10493 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [1,0,0,1,0,0|2,0,0]=4 10494 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [1,0,0,1,0,0|2,0,0]=4 10495 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [1,0,0,1,0,0|2,0,0]=4 10496 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [1,0,0,1,0,0|2,0,0]=4 10497 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [1,0,0,1,0,0|2,0,0]=4 10498 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [1,0,0,1,0,0|2,0,0]=4 10499 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [1,0,0,1,0,0|2,0,0]=4 10500 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [1,0,0,1,0,0|2,0,0]=4 10501 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [1,0,0,1,0,0|2,0,0]=4 10502 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [1,0,0,1,0,0|2,0,0]=4 10503 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [1,0,0,1,0,0|2,0,0]=4 10504 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [1,0,0,1,0,0|2,0,0]=4 10505 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [1,0,0,1,0,0|2,0,0]=4 10506 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [1,0,0,1,0,0|2,0,0]=4 10507 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100015343762 [1,0,0,1,0,0|2,0,0]=4 10508 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100015343762 [1,0,0,1,0,0|2,0,0]=4 10509 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100015343762 [1,0,0,1,0,0|2,0,0]=4 10510 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100103153847 [1,0,0,1,0,0|2,0,0]=4 10511 B18R1.1145 CCCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210319 [0,1,0,1,0,0|1,0,1]=4 10512 B18R1.1145 CCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210319 [0,1,0,1,0,0|0,0,1]=3 10513 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000212291_100009814974 [0,1,0,1,0,0|1,0,1]=4 10514 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000212291_100009814974 [0,1,0,1,0,0|1,0,1]=4 10515 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000212291_100009814974 [0,1,0,1,0,0|1,0,1]=4 10516 B18R1.1145 CCCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000212291_100009814974 [0,1,0,1,0,0|1,0,1]=4 10517 B18R1.1145 O=C1CC[C@H](O1)C(=O)CCCCCCCCCO 1458a_100009814974_100009813782 [0,1,0,1,0,0|1,0,1]=4 10518 B18R1.8735 CCCCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210759 [0,1,0,1,0,0|1,0,0]=3 10519 B18R1.8735 COCCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100011998445 [0,1,0,1,0,0|2,0,0]=4 10520 B18R1.8735 O=C(O)C1CCC(CN1CCCCCCCO)O 269956a_100000089875_100000760002 [0,1,0,1,0,0|2,0,0]=4 10521 B18R1.17255 O=C(O)CNC1CCCCCCCCCCC1=O 269956a_100016091260_200009990614 [0,1,0,1,0,0|1,0,1]=4 10522 B18R1.21046 CC(=O)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100011215641 [0,1,0,1,0,0|1,0,1]=4 10523 B18R1.21046 CC(CCCC(=O)[O-])OCCCC1CCCCC1 7a_100000761597_100011713725 [0,1,0,1,0,0|1,0,1]=4 10524 B18R1.21046 NC(=O)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100102525003 [0,1,0,1,0,0|1,0,1]=4 10525 B18R1.21165 C=C(C)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000730704 [0,1,0,1,0,0|2,0,0]=4 10526 B18R1.21165 C=C(C)CCNC1CCCCCCCCCCC1 34a_100011194316_100000730704 [0,1,0,1,0,0|2,0,0]=4 10527 B18R1.21165 C=C(C)CCOC1CCCCCCCCCCC1 34a_100000211378_100000730704 [0,1,0,1,0,0|2,0,0]=4 10528 B18R1.21165 C=C(C)CCOC1CCCCCCCCCCC1 7a_100000211378_100000730704 [0,1,0,1,0,0|2,0,0]=4 10529 B18R1.21165 CC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000053229 [0,1,0,1,0,0|1,0,0]=3 10530 B18R1.21165 CC(=O)OCNC1CCCCCCCCCCC1 34a_100011194316_100009813279 [0,1,0,1,0,0|2,0,0]=4 10531 B18R1.21165 CC(=O)OCOC1CCCCCCCCCCC1 34a_100000211378_100009813279 [0,1,0,1,0,0|2,0,0]=4 10532 B18R1.21165 CC(O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100012276601 [0,1,0,1,0,0|1,0,1]=4 10533 B18R1.21165 CC(O)CCNC1CCCCCCCCCCC1 270004a_200000755665_100000210130 [0,1,0,1,0,0|1,0,1]=4 10534 B18R1.21165 CC(O)CCNC1CCCCCCCCCCC1 34a_100011194316_100012276601 [0,1,0,1,0,0|1,0,1]=4 10535 B18R1.21165 CC(O)CCOC1CCCCCCCCCCC1 34a_100000211378_100012276601 [0,1,0,1,0,0|1,0,1]=4 10536 B18R1.21165 CC(O)CCOC1CCCCCCCCCCC1 7a_100000211378_100012276601 [0,1,0,1,0,0|1,0,1]=4 10537 B18R1.21165 NC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000744528 [0,1,0,1,0,0|1,0,0]=3 10538 B18R1.21165 NC(=O)CCNC1CCCCCCCCCCC1 34a_100011194316_100000731001 [0,1,0,1,0,0|1,0,0]=3 10539 B18R1.21165 NC(=O)CCOC1CCCCCCCCCCC1 34a_100000211378_100000731001 [0,1,0,1,0,0|1,0,0]=3 10540 B18R1.21165 NC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000744528 [0,1,0,1,0,0|1,0,0]=3 10541 B18R1.36736 CCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210375_100009874392 [0,1,0,1,0,0|1,0,1]=4 10542 B18R1.36736 CCCCCCCCCCN(C)CC1CC(=O)C1 2230a_100000207566_100009874392 [0,1,0,1,0,0|2,0,0]=4 10543 B18R1.36736 CCCCCCCCCCN(C)CC1CC(=O)C1 269982a_100000207566_100009874392 [0,1,0,1,0,0|2,0,0]=4 10544 B18R1.40552 CCCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210320 [0,1,0,1,0,0|1,0,0]=3 10545 B18R1.40552 O=C(O)CC1CN(C1)CCCCCCCCCO 269956a_100016993960_100009813782 [0,1,0,1,0,0|2,0,0]=4 10546 B18R1.40557 CCCCCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210320 [0,1,0,1,0,0|2,0,0]=4 10547 B18R1.40557 CCCCCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210320 [0,1,0,1,0,0|2,0,0]=4 10548 B18R1.40557 CCCCCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210320 [0,1,0,1,0,0|2,0,0]=4 10549 B18R1.40557 CCCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210670 [0,1,0,1,0,0|1,0,0]=3 10550 B18R1.40557 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCCCO 269956a_100015195206_100000033203 [0,1,0,1,0,0|2,0,0]=4 10551 B18R1.356 CCCCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210314 [0,1,0,1,0,0|2,0,0]=4 10552 B18R1.356 CCCCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210757 [0,1,0,1,0,0|2,0,0]=4 10553 B18R1.356 CCCCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210314 [0,1,0,1,0,0|2,0,0]=4 10554 B18R1.372 CCCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000189428 [0,1,0,1,0,0|1,0,0]=3 10555 B18R1.372 CCCCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000189428 [0,1,0,1,0,0|2,0,0]=4 10556 B18R1.372 CCCCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000189428 [0,1,0,1,0,0|2,0,0]=4 10557 B18R1.372 CCCCCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000189428 [0,1,0,1,0,0|2,0,0]=4 10558 B18R1.372 CCCCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000189428 [0,1,0,1,0,0|2,0,0]=4 10559 B18R1.378 CCCC1CCCCC1NCCCCNC(=O)C 269862a_200011368371_100011218038 [0,1,0,1,0,0|2,0,0]=4 10560 B18R1.378 CCCC1CCCCC1NCCCCNC(=O)C 270004a_200011368371_100011218038 [0,1,0,1,0,0|2,0,0]=4 10561 B18R1.378 CCCC1CCCCC1OCCCCCB(O)O 34a_100011217265_200009817188 [0,1,0,1,0,0|1,0,1]=4 10562 B18R1.378 CCCC1CCCCC1OCCCCCB(O)O 7a_100011217265_200009817188 [0,1,0,1,0,0|1,0,1]=4 10563 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 34a_100011217265_100009817443 [0,1,0,1,0,0|1,0,0]=3 10564 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 7a_100011217265_100009817443 [0,1,0,1,0,0|1,0,0]=3 10565 B18R1.378 CCCC1CCCCC1OCCCCOC(=O)C 34a_100011217265_100000033659 [0,1,0,1,0,0|2,0,0]=4 10566 B18R1.378 CCCC1CCCCC1OCCCCOC(=O)C 7a_100011217265_100000033659 [0,1,0,1,0,0|2,0,0]=4 10567 B18R1.378 CCCC1CCCCC1OCCCCSC(=O)C 34a_100011217265_200010402107 [0,1,0,1,0,0|2,0,0]=4 10568 B18R1.378 CCCC1CCCCC1OCCCCSC(=O)C 7a_100011217265_200010402107 [0,1,0,1,0,0|2,0,0]=4 10569 B18R1.378 CCCC1CCCCN1CCCCCCB(O)O 2230a_100000701414_100009817187 [0,1,0,1,0,0|1,0,1]=4 10570 B18R1.378 CCCC1CCCCN1CCCCCCB(O)O 269982a_100000701414_100009817187 [0,1,0,1,0,0|1,0,1]=4 10571 B18R1.378 CCCC1CCCCN1CCCCCCB(O)O 34a_100000701414_100009817187 [0,1,0,1,0,0|1,0,1]=4 10572 B18R1.378 CCCC1CCCCN1CCCCCOC(=O)C 2230a_100000701414_100009813381 [0,1,0,1,0,0|2,0,0]=4 10573 B18R1.378 CCCC1CCCCN1CCCCCOC(=O)C 269982a_100000701414_100000033007 [0,1,0,1,0,0|2,0,0]=4 10574 B18R1.378 CCCC1CCCCN1CCCCCOC(=O)C 34a_100000701414_100000033007 [0,1,0,1,0,0|2,0,0]=4 10575 B18R1.385 CCCC1CCCC1NCCCCCNC(=O)C 269862a_200012022750_100000723119 [0,1,0,1,0,0|2,0,0]=4 10576 B18R1.385 CCCC1CCCC1NCCCCCNC(=O)C 270004a_200012022750_100000723119 [0,1,0,1,0,0|2,0,0]=4 10577 B18R1.385 CCCN1CCCC1COCCCCCC(=O)N 34a_200000694710_100009817443 [0,1,0,1,0,0|2,0,0]=4 10578 B18R1.385 CCCN1CCCC1COCCCCCC(=O)N 7a_200000694710_100009817443 [0,1,0,1,0,0|2,0,0]=4 10579 B18R1.952 CCCCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000750825 [0,1,0,1,0,0|2,0,0]=4 10580 B18R1.952 CCCCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000750825 [0,1,0,1,0,0|2,0,0]=4 10581 B18R1.1108 CCCCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100011215454 [0,1,0,1,0,0|1,0,1]=4 10582 B18R1.1108 CCCCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100011215454 [0,1,0,1,0,0|1,0,1]=4 10583 B18R1.1108 CCCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011215454 [0,1,0,1,0,0|2,0,0]=4 10584 B18R1.1108 CCCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011215454 [0,1,0,1,0,0|2,0,0]=4 10585 B18R1.1108 CCCCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210320 [0,1,0,1,0,0|1,0,1]=4 10586 B18R1.1108 CCCCCCCCCCNC1CCCC(C1)O 270004a_100000684558_100012613340 [0,1,0,1,0,0|1,0,1]=4 10587 B18R1.1108 CCCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210320 [0,1,0,1,0,0|2,0,0]=4 10588 B18R1.1108 CCCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210320 [0,1,0,1,0,0|2,0,0]=4 10589 B18R1.1108 CCCCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210320 [0,1,0,1,0,0|2,0,0]=4 10590 B18R1.1108 CCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210320 [0,1,0,1,0,0|1,0,0]=3 10591 B18R1.1108 CCCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210320 [0,1,0,1,0,0|2,0,0]=4 10592 B18R1.1108 CCCCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100011214924 [0,1,0,1,0,0|1,0,1]=4 10593 B18R1.1108 CCCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100011214924 [0,1,0,1,0,0|1,0,0]=3 10594 B18R1.1108 CCCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100011214924 [0,1,0,1,0,0|2,0,0]=4 10595 B18R1.1108 CCCCCCCCCOCC1COCC(=O)N1 34a_200000101122_100011214924 [0,1,0,1,0,0|2,0,0]=4 10596 B18R1.1108 O=C1CCCC(C1)OCCCCCCCCCO 34a_100012613340_100009813782 [0,1,0,1,0,0|2,0,0]=4 10597 B18R1.1108 O=C1CCCC(N1)COCCCCCCCCO 34a_200000102386_100000033203 [0,1,0,1,0,0|2,0,0]=4 10598 B18R1.1139 COCCC1CCCCN1CCCCCC(=O)N 2230a_100015186528_100009817443 [0,1,0,1,0,0|2,0,0]=4 10599 B18R1.1139 COCCC1CCCCN1CCCCCC(=O)N 269982a_100015186528_100009817443 [0,1,0,1,0,0|2,0,0]=4 10600 B18R1.1139 COCCC1CCCCN1CCCCCC(=O)N 34a_100015186528_100009817443 [0,1,0,1,0,0|2,0,0]=4 10601 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 2230a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 10602 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 269982a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 10603 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 34a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 10604 B18R1.1257 CCC1CCCCC1NCCCCCNC(=O)C 269862a_200012022750_100000757040 [0,1,0,1,0,0|2,0,0]=4 10605 B18R1.1257 CCC1CCCCC1NCCCCCNC(=O)C 270004a_200012022750_100000757040 [0,1,0,1,0,0|2,0,0]=4 10606 B18R1.1257 CCC1CCCCC1OCCCCCCB(O)O 34a_100000210738_100009817187 [0,1,0,1,0,0|1,0,1]=4 10607 B18R1.1257 CCC1CCCCC1OCCCCCCB(O)O 7a_100000210738_100009817187 [0,1,0,1,0,0|1,0,1]=4 10608 B18R1.1257 CCC1CCCCC1OCCCCCOC(=O)C 34a_100000210738_100000033007 [0,1,0,1,0,0|2,0,0]=4 10609 B18R1.1257 CCC1CCCCC1OCCCCCOC(=O)C 7a_100000210738_100000033007 [0,1,0,1,0,0|2,0,0]=4 10610 B18R1.1257 CCC1CCCCN1CCCNCCCC(=O)C 34a_100011191702_100000685027 [0,1,0,1,0,0|2,0,0]=4 10611 B18R1.1257 CCC1CCCCN1CCCNCCCC(=O)N 34a_100011191702_100102525003 [0,1,0,1,0,0|2,0,0]=4 10612 B18R1.1257 CCC1CCCCN1CCNCCCCC(=O)C 34a_100000755458_100009817362 [0,1,0,1,0,0|2,0,0]=4 10613 B18R1.1257 CCN1CCCCC1CNCCCCCC(=O)N 2230a_100000754393_100009817443 [0,1,0,1,0,0|2,0,0]=4 10614 B18R1.1257 CCN1CCCCC1CNCCCCCC(=O)N 34a_100000754393_100009817443 [0,1,0,1,0,0|2,0,0]=4 10615 B18R1.1257 CCN1CCCCC1COCCCCCC(=O)N 34a_100000225091_100009817443 [0,1,0,1,0,0|2,0,0]=4 10616 B18R1.1257 CCN1CCCCC1COCCCCCC(=O)N 7a_100000225091_100009817443 [0,1,0,1,0,0|2,0,0]=4 10617 B18R1.1260 CCCCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100011215052 [0,1,0,1,0,0|1,0,1]=4 10618 B18R1.1260 CCCCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000759014 [0,1,0,1,0,0|1,0,1]=4 10619 B18R1.1260 CCCCCCCCCCCCN1CCC(C1)O 270004a_100011215560_100011218549 [0,1,0,1,0,0|1,0,1]=4 10620 B18R1.1260 CCCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215052 [0,1,0,1,0,0|2,0,0]=4 10621 B18R1.1260 CCCCCCCCCCCNC1CCC(C1)O 270004a_200011215754_100012614533 [0,1,0,1,0,0|1,0,1]=4 10622 B18R1.1260 CCCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011215454 [0,1,0,1,0,0|2,0,0]=4 10623 B18R1.1260 CCCCCCCCCCCNC1COC(=O)O1 34a_200011215754_100000032252 [0,1,0,1,0,0|1,0,0]=3 10624 B18R1.1260 CCCCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215454 [0,1,0,1,0,0|1,0,1]=4 10625 B18R1.1260 CCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215454 [0,1,0,1,0,0|1,0,0]=3 10626 B18R1.1260 CCCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100011215454 [0,1,0,1,0,0|2,0,0]=4 10627 B18R1.1260 CCCCCCCCCCCOC1COC(=O)O1 34a_100000210809_100000032252 [0,1,0,1,0,0|1,0,0]=3 10628 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210320 [0,1,0,1,0,0|2,0,0]=4 10629 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210320 [0,1,0,1,0,0|2,0,0]=4 10630 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)O1 2230a_100000684558_100000181169 [0,1,0,1,0,0|1,0,0]=3 10631 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)O1 34a_100000684558_100000181169 [0,1,0,1,0,0|1,0,0]=3 10632 B18R1.1260 CCCCCCCCCCNCC1COC(=O)O1 34a_100000684558_100000073702 [0,1,0,1,0,0|1,0,0]=3 10633 B18R1.1260 CCCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000684558_100015189358 [0,1,0,1,0,0|1,0,0]=3 10634 B18R1.1260 CCCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210320 [0,1,0,1,0,0|1,0,0]=3 10635 B18R1.1260 CCCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210320 [0,1,0,1,0,0|1,0,0]=3 10636 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000684558_100015307671 [0,1,0,1,0,0|2,0,0]=4 10637 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000684558_100015307671 [0,1,0,1,0,0|2,0,0]=4 10638 B18R1.1260 CCCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210320 [0,1,0,1,0,0|1,0,0]=3 10639 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210320 [0,1,0,1,0,0|2,0,0]=4 10640 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 34a_100000210711_100000181169 [0,1,0,1,0,0|1,0,0]=3 10641 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210320 [0,1,0,1,0,0|1,0,0]=3 10642 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 7a_100000210711_100000181169 [0,1,0,1,0,0|1,0,0]=3 10643 B18R1.1260 CCCCCCCCCCOCC1COC(=O)O1 34a_100000210711_100000073702 [0,1,0,1,0,0|1,0,0]=3 10644 B18R1.1260 CCCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210711_100015189358 [0,1,0,1,0,0|1,0,0]=3 10645 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210711_100015307671 [0,1,0,1,0,0|2,0,0]=4 10646 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210711_100015307671 [0,1,0,1,0,0|2,0,0]=4 10647 B18R1.1260 CCCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210320 [0,1,0,1,0,0|1,0,0]=3 10648 B18R1.1260 CCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210320 [0,1,0,1,0,0|1,0,0]=3 10649 B18R1.1260 CCCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210320 [0,1,0,1,0,0|1,0,0]=3 10650 B18R1.1260 CCCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210320 [0,1,0,1,0,0|2,0,0]=4 10651 B18R1.1260 CCCCCCCCCOCCC1COS(=O)O1 7a_100000210712_100009840081 [0,1,0,1,0,0|2,0,0]=4 10652 B18R1.1260 NCCCCCCCCCCOC1COC(=O)O1 34a_100000066964_100000032252 [0,1,0,1,0,0|2,0,0]=4 10653 B18R1.1260 NCCCCCCCCCOCC1CNC(=O)O1 34a_100000078944_100000181169 [0,1,0,1,0,0|2,0,0]=4 10654 B18R1.1260 NCCCCCCCCCOCC1COC(=O)O1 34a_100000078944_100000073702 [0,1,0,1,0,0|2,0,0]=4 10655 B18R1.1260 O=C1CCC(C1)OCCCCCCCCCCO 34a_100012614533_100009813290 [0,1,0,1,0,0|2,0,0]=4 10656 B18R1.1260 O=C1CCC(N1)COCCCCCCCCCO 34a_100000737831_100009813782 [0,1,0,1,0,0|2,0,0]=4 10657 B18R1.1260 O=C1CC[C@@H](N1)CNCCCCCCCCCO 2230a_100015423886_100009813782 [0,1,0,1,0,0|2,0,0]=4 10658 B18R1.1260 O=C1CC[C@@H](N1)CNCCCCCCCCCO 34a_100015423886_100009813782 [0,1,0,1,0,0|2,0,0]=4 10659 B18R1.1260 O=C1CC[C@H](N1)CNCCCCCCCCCO 2230a_100000078944_100015189358 [0,1,0,1,0,0|2,0,0]=4 10660 B18R1.1260 O=C1CC[C@H](N1)COCCCCCCCCCBr 7a_100009813782_100015189358 [0,1,0,1,0,0|2,0,0]=4 10661 B18R1.1260 O=C1CC[C@H](N1)COCCCCCCCCCCl 7a_100009868337_100015189358 [0,1,0,1,0,0|2,0,0]=4 10662 B18R1.1260 O=C1CC[C@H](N1)CSCCCCCCCCCO 62a_100009813782_100015189358 [0,1,0,1,0,0|2,0,0]=4 10663 B18R1.1260 O=C1CC[C@H](N1)CSCCCCCCCCCO 62a_100015189358_100009813782 [0,1,0,1,0,0|2,0,0]=4 10664 B18R1.1260 O=C1NCC(O1)CNCCCCCCCCCO 2230a_100000078944_100000181169 [0,1,0,1,0,0|2,0,0]=4 10665 B18R1.1260 O=C1NCC(O1)CNCCCCCCCCCO 34a_100000078944_100000181169 [0,1,0,1,0,0|2,0,0]=4 10666 B18R1.1260 O=C1NCC(O1)COCCCCCCCCCBr 34a_100009813782_100000181169 [0,1,0,1,0,0|2,0,0]=4 10667 B18R1.1260 O=C1NCC(O1)COCCCCCCCCCBr 7a_100009813782_100000181169 [0,1,0,1,0,0|2,0,0]=4 10668 B18R1.1260 O=C1NCC(O1)COCCCCCCCCCCl 34a_100009868337_100000181169 [0,1,0,1,0,0|2,0,0]=4 10669 B18R1.1260 O=C1NCC(O1)COCCCCCCCCCCl 7a_100009868337_100000181169 [0,1,0,1,0,0|2,0,0]=4 10670 B18R1.1260 O=C1NCC(O1)COCCCCCCCCCO 34a_100011315639_100009813782 [0,1,0,1,0,0|2,0,0]=4 10671 B18R1.1260 O=C1NCC(O1)CSCCCCCCCCCO 62a_100000181169_100009813782 [0,1,0,1,0,0|2,0,0]=4 10672 B18R1.1260 O=C1NCC(O1)CSCCCCCCCCCO 62a_100009813782_100000181169 [0,1,0,1,0,0|2,0,0]=4 10673 B18R1.1260 O=C1OCC(O1)CNCCCCCCCCCO 34a_100000078944_100000073702 [0,1,0,1,0,0|2,0,0]=4 10674 B18R1.1260 O=C1OCC(O1)COCCCCCCCCCBr 34a_100009813782_100000073702 [0,1,0,1,0,0|2,0,0]=4 10675 B18R1.1260 O=C1OCC(O1)COCCCCCCCCCCl 34a_100009868337_100000073702 [0,1,0,1,0,0|2,0,0]=4 10676 B18R1.1260 O=C1OCC(O1)CSCCCCCCCCCO 62a_100000073702_100009813782 [0,1,0,1,0,0|2,0,0]=4 10677 B18R1.1260 O=C1OCC(O1)CSCCCCCCCCCO 62a_100009813782_100000073702 [0,1,0,1,0,0|2,0,0]=4 10678 B18R1.1260 O=C1OCC(O1)NCCCCCCCCCCO 34a_100000066964_100000032252 [0,1,0,1,0,0|2,0,0]=4 10679 B18R1.1260 O=C1OCC(O1)OCCCCCCCCCCBr 34a_100009813290_100000032252 [0,1,0,1,0,0|2,0,0]=4 10680 B18R1.1260 O=C1OCC(O1)OCCCCCCCCCCCl 34a_200000033068_100000032252 [0,1,0,1,0,0|2,0,0]=4 10681 B18R1.1260 O=C1OCC(O1)SCCCCCCCCCCO 62a_100009813290_100000032252 [0,1,0,1,0,0|2,0,0]=4 10682 B18R1.1313 COCCCC1CCCCN1CCCCC(=O)C 269982a_100011804088_100000735457 [0,1,0,1,0,0|2,0,0]=4 10683 B18R1.1313 COCCCC1CCCCN1CCCCC(=O)C 34a_100011804088_100009817362 [0,1,0,1,0,0|2,0,0]=4 10684 B18R1.1326 CCCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_200000198059 [0,1,0,1,0,0|1,0,0]=3 10685 B18R1.1326 CCCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_200000198059 [0,1,0,1,0,0|1,0,0]=3 10686 B18R1.1326 CCCCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_200000198059 [0,1,0,1,0,0|2,0,0]=4 10687 B18R1.1326 CCCCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_200000198059 [0,1,0,1,0,0|2,0,0]=4 10688 B18R1.4119 C#CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100012094781 [0,1,0,1,0,0|0,0,2]=4 10689 B18R1.4119 C=CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000700193 [0,1,0,1,0,0|0,0,2]=4 10690 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [0,1,0,1,0,0|0,0,0]=2 10691 B18R1.4119 CCCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000743108 [0,1,0,1,0,0|1,0,0]=3 10692 B18R1.4119 COCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000695917 [0,1,0,1,0,0|2,0,0]=4 10693 B18R1.4119 N#CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100009813376 [0,1,0,1,0,0|1,0,1]=4 10694 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCF 269956a_100000694054_100015922095 [0,1,0,1,0,0|1,0,0]=3 10695 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCO 269956a_100000694054_100000766143 [0,1,0,1,0,0|1,0,0]=3 10696 B18R1.4119 O=CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000139337 [0,1,0,1,0,0|1,0,1]=4 10697 B18R1.4136 CCCCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200011216720 [0,1,0,1,0,0|1,0,0]=3 10698 B18R1.4136 CCCCCCCC1CCCC1NCCC(C)O 269862a_200000755665_200011216720 [0,1,0,1,0,0|1,0,1]=4 10699 B18R1.4136 CCCCCCCC1CCCC1NCCC(C)O 270004a_200000755665_200011216720 [0,1,0,1,0,0|1,0,1]=4 10700 B18R1.5438 C#CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100153394163 [0,1,0,1,0,0|0,0,2]=4 10701 B18R1.5438 C#CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012276617 [0,1,0,1,0,0|0,0,2]=4 10702 B18R1.5438 C=CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012355270 [0,1,0,1,0,0|0,0,2]=4 10703 B18R1.5438 C=CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215473 [0,1,0,1,0,0|0,0,2]=4 10704 B18R1.5438 CCCCC#CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000047210 [0,1,0,1,0,0|0,0,2]=4 10705 B18R1.5438 CCCCCC#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009816472 [0,1,0,1,0,0|0,0,2]=4 10706 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100011214924 [0,1,0,1,0,0|1,0,0]=3 10707 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210670 [0,1,0,1,0,0|1,0,0]=3 10708 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100011214924 [0,1,0,1,0,0|1,0,0]=3 10709 B18R1.5438 CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210670 [0,1,0,1,0,0|0,0,0]=2 10710 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210670 [0,1,0,1,0,0|1,0,0]=3 10711 B18R1.5438 CCCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210670 [0,1,0,1,0,0|1,0,0]=3 10712 B18R1.5438 CCCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210670 [0,1,0,1,0,0|1,0,0]=3 10713 B18R1.5438 CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210759 [0,1,0,1,0,0|0,0,0]=2 10714 B18R1.5438 CCOCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011211534 [0,1,0,1,0,0|2,0,0]=4 10715 B18R1.5438 COCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011998445 [0,1,0,1,0,0|1,0,0]=3 10716 B18R1.5438 COCCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011216529 [0,1,0,1,0,0|2,0,0]=4 10717 B18R1.5438 N#CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009813337 [0,1,0,1,0,0|1,0,1]=4 10718 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 2230a_100000181395_100000033203 [0,1,0,1,0,0|2,0,0]=4 10719 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 269982a_100000181395_100000033203 [0,1,0,1,0,0|2,0,0]=4 10720 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 34a_100000181395_100000033203 [0,1,0,1,0,0|2,0,0]=4 10721 B18R1.5438 O=C(O)C1CCSCN1CCCCCCCCO 269956a_100015185162_100000033203 [0,1,0,1,0,0|2,0,0]=4 10722 B18R1.5438 O=C(O)C1CSCCN1CCCCCCCCO 269956a_100011346106_100000033203 [0,1,0,1,0,0|2,0,0]=4 10723 B18R1.5438 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCCO 269956a_100009816435_100000760002 [0,1,0,1,0,0|1,0,0]=3 10724 B18R1.5438 O=C(O)[C@H]1CCCCN1CCCCCCCCO 269956a_100000763471_100000033203 [0,1,0,1,0,0|1,0,0]=3 10725 B18R1.5438 O=C(O)[C@H]1COCCN1CCCCCCCCO 269956a_100016993156_100000033203 [0,1,0,1,0,0|2,0,0]=4 10726 B18R1.8743 C=C1CC(C1)CNCCCCCCCCCCC 2230a_100102567296_100011215454 [0,1,0,1,0,0|2,0,0]=4 10727 B18R1.8743 C=C1CC(C1)CNCCCCCCCCCCC 34a_100102567296_100011215454 [0,1,0,1,0,0|2,0,0]=4 10728 B18R1.8743 C=C1CC(C1)COCCCCCCCCCCC 34a_100011011225_100011215454 [0,1,0,1,0,0|2,0,0]=4 10729 B18R1.8743 C=C1CC(C1)NCCCCCCCCCCCC 2230a_100132301982_100011215052 [0,1,0,1,0,0|2,0,0]=4 10730 B18R1.8743 C=C1CC(C1)NCCCCCCCCCCCC 270004a_100132301982_100011218549 [0,1,0,1,0,0|2,0,0]=4 10731 B18R1.8743 CCCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000210684 [0,1,0,1,0,0|1,0,1]=4 10732 B18R1.8743 CCCCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215052 [0,1,0,1,0,0|1,0,1]=4 10733 B18R1.8743 CCCCCCCCCCCCN[C@H]1C[C@@H](C1)O 270004a_100020629032_100011218549 [0,1,0,1,0,0|1,0,1]=4 10734 B18R1.8743 CCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000759014 [0,1,0,1,0,0|1,0,0]=3 10735 B18R1.8743 CCCCCCCCCCCNCC1CC(=O)C1 2230a_200011215754_100009874392 [0,1,0,1,0,0|1,0,0]=3 10736 B18R1.8743 CCCCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100011215454 [0,1,0,1,0,0|1,0,1]=4 10737 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011215454 [0,1,0,1,0,0|1,0,0]=3 10738 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 7a_100000210809_100009874392 [0,1,0,1,0,0|1,0,0]=3 10739 B18R1.8743 CCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100011215454 [0,1,0,1,0,0|1,0,0]=3 10740 B18R1.8743 O=C1CC(C1)CNCCCCCCCCCCO 2230a_100000066964_100009874392 [0,1,0,1,0,0|2,0,0]=4 10741 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCBr 7a_100009813290_100009874392 [0,1,0,1,0,0|2,0,0]=4 10742 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCCl 7a_200000033068_100009874392 [0,1,0,1,0,0|2,0,0]=4 10743 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCO 34a_100000101936_100009813290 [0,1,0,1,0,0|2,0,0]=4 10744 B18R1.8743 O=C1CC(C1)CSCCCCCCCCCCO 62a_100009813290_100009874392 [0,1,0,1,0,0|2,0,0]=4 10745 B18R1.8743 O=C1CC(C1)CSCCCCCCCCCCO 62a_100009874392_200000033068 [0,1,0,1,0,0|2,0,0]=4 10746 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210759 [0,1,0,1,0,0|1,0,0]=3 10747 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210759 [0,1,0,1,0,0|1,0,0]=3 10748 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210759 [0,1,0,1,0,0|1,0,0]=3 10749 B18R1.8758 COCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100011998445 [0,1,0,1,0,0|2,0,0]=4 10750 B18R1.8758 COCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100011998445 [0,1,0,1,0,0|2,0,0]=4 10751 B18R1.8758 COCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100011998445 [0,1,0,1,0,0|2,0,0]=4 10752 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 2230a_100015184752_100000760002 [0,1,0,1,0,0|2,0,0]=4 10753 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 269982a_100015184752_100000760002 [0,1,0,1,0,0|2,0,0]=4 10754 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 34a_100015184752_100000760002 [0,1,0,1,0,0|2,0,0]=4 10755 B18R1.10603 CC(=O)CCCCCCCCOC1CCCCO1 1458a_100000070787_200009814348 [0,1,0,1,0,0|2,0,0]=4 10756 B18R1.10603 CC(=O)CCCCNCCCOC1CCCCC1 34a_100000205933_100009817362 [0,1,0,1,0,0|2,0,0]=4 10757 B18R1.10603 CC(=O)CCCCOCCCCC1CCCCC1 34a_100011215267_100009817362 [0,1,0,1,0,0|1,0,0]=3 10758 B18R1.10603 CC(=O)CCCCOCCCCC1CCCCC1 7a_100011215267_100000735457 [0,1,0,1,0,0|1,0,0]=3 10759 B18R1.10603 CC(=O)CCCCOCCCCC1CCNCC1 34a_100016989291_100009817362 [0,1,0,1,0,0|2,0,0]=4 10760 B18R1.10603 CC(=O)CCCOCCCCCN1CCCCC1 34a_100011216611_100000685027 [0,1,0,1,0,0|2,0,0]=4 10761 B18R1.10603 CC(=O)CCCOCCCCCN1CCCCC1 7a_100011216611_100011215641 [0,1,0,1,0,0|2,0,0]=4 10762 B18R1.10603 CC(=O)NCCCCCCNCC1CCCCC1 2230a_200011996284_100000211423 [0,1,0,1,0,0|2,0,0]=4 10763 B18R1.10603 CC(=O)NCCCCCCNCC1CCCCC1 269862a_200011996284_100000211278 [0,1,0,1,0,0|2,0,0]=4 10764 B18R1.10603 CC(=O)NCCCCCCNCC1CCCCC1 34a_200011996284_100000211423 [0,1,0,1,0,0|2,0,0]=4 10765 B18R1.10603 CC(=O)NCCCCCNCCC1CCCCC1 2230a_200012022750_100012355289 [0,1,0,1,0,0|2,0,0]=4 10766 B18R1.10603 CC(=O)NCCCCCNCCC1CCCCC1 270004a_200012022750_100011713444 [0,1,0,1,0,0|2,0,0]=4 10767 B18R1.10603 CC(=O)NCCCCCNCCC1CCCCC1 34a_200012022750_100011209188 [0,1,0,1,0,0|2,0,0]=4 10768 B18R1.10603 CC(=O)NCCCCNCCCC1CCCCC1 2230a_200011368371_100011713725 [0,1,0,1,0,0|2,0,0]=4 10769 B18R1.10603 CC(=O)NCCCCNCCCC1CCCCC1 34a_200011368371_100011713725 [0,1,0,1,0,0|2,0,0]=4 10770 B18R1.10603 CC(=O)OCCCCCNCCC1CCCCC1 2230a_100000738074_100009813381 [0,1,0,1,0,0|2,0,0]=4 10771 B18R1.10603 CC(=O)OCCCCCNCCC1CCCCC1 34a_100000738074_100000033007 [0,1,0,1,0,0|2,0,0]=4 10772 B18R1.10603 CC(=O)OCCCCCOCCC1CCCCC1 34a_100011217863_100000033007 [0,1,0,1,0,0|2,0,0]=4 10773 B18R1.10603 CC(=O)OCCCCCOCCC1CCCCC1 7a_100011217863_100000033007 [0,1,0,1,0,0|2,0,0]=4 10774 B18R1.10603 CC(=O)OCCCCCSCCC1CCCCC1 62a_100000033007_100012355289 [0,1,0,1,0,0|2,0,0]=4 10775 B18R1.10603 CC(=O)OCCCCCSCCC1CCCCC1 62a_100012355289_100000033007 [0,1,0,1,0,0|2,0,0]=4 10776 B18R1.10603 CC(=O)OCCCCNCCCC1CCCCC1 34a_100011211642_100000033659 [0,1,0,1,0,0|2,0,0]=4 10777 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 34a_100000073216_100011713725 [0,1,0,1,0,0|2,0,0]=4 10778 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 34a_100000198086_100000033659 [0,1,0,1,0,0|2,0,0]=4 10779 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 7a_100000073216_100011713725 [0,1,0,1,0,0|2,0,0]=4 10780 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 7a_100000198086_100000033659 [0,1,0,1,0,0|2,0,0]=4 10781 B18R1.10603 CC(=O)OCCCCSCCCC1CCCCC1 62a_100000033659_100011713725 [0,1,0,1,0,0|2,0,0]=4 10782 B18R1.10603 CC(=O)OCCCCSCCCC1CCCCC1 62a_100011713725_100000033659 [0,1,0,1,0,0|2,0,0]=4 10783 B18R1.10603 CC(=O)OCCCOCCCCC1CCCCC1 34a_100011215267_100000042594 [0,1,0,1,0,0|2,0,0]=4 10784 B18R1.10603 CC(=O)OCCCOCCCCC1CCCCC1 7a_100011215267_100000042594 [0,1,0,1,0,0|2,0,0]=4 10785 B18R1.10603 CC(=O)SCCCCCCNCC1CCCCC1 269862a_100000704104_100000211278 [0,1,0,1,0,0|2,0,0]=4 10786 B18R1.10603 CC(=O)SCCCCNCCCC1CCCCC1 2230a_100011211642_200010402107 [0,1,0,1,0,0|2,0,0]=4 10787 B18R1.10603 CC(=O)SCCCCNCCCC1CCCCC1 34a_100011211642_200010402107 [0,1,0,1,0,0|2,0,0]=4 10788 B18R1.10603 CC(=O)SCCCCOCCCC1CCCCC1 34a_100000198086_200010402107 [0,1,0,1,0,0|2,0,0]=4 10789 B18R1.10603 CC(=O)SCCCCOCCCC1CCCCC1 7a_100000198086_200010402107 [0,1,0,1,0,0|2,0,0]=4 10790 B18R1.10603 CC(=O)SCCCCSCCCC1CCCCC1 62a_100011713725_200010402107 [0,1,0,1,0,0|2,0,0]=4 10791 B18R1.10603 CC(=O)SCCCCSCCCC1CCCCC1 62a_200010402107_100011713725 [0,1,0,1,0,0|2,0,0]=4 10792 B18R1.10603 CC(=O)SCCCOCCCCC1CCCCC1 34a_100011215267_100000038929 [0,1,0,1,0,0|2,0,0]=4 10793 B18R1.10603 CC(=O)SCCCOCCCCC1CCCCC1 7a_100011215267_100000038929 [0,1,0,1,0,0|2,0,0]=4 10794 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 2230a_100011211642_100009817443 [0,1,0,1,0,0|1,0,0]=3 10795 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 34a_100011211642_100009817443 [0,1,0,1,0,0|1,0,0]=3 10796 B18R1.10603 NC(=O)CCCCCNCCOC1CCCCC1 34a_100015206981_100009817443 [0,1,0,1,0,0|2,0,0]=4 10797 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000123541_100011713725 [0,1,0,1,0,0|1,0,0]=3 10798 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000198086_100009817443 [0,1,0,1,0,0|1,0,0]=3 10799 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000123541_100011713725 [0,1,0,1,0,0|1,0,0]=3 10800 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000198086_100009817443 [0,1,0,1,0,0|1,0,0]=3 10801 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCN1 34a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 10802 B18R1.10603 NC(=O)CCCCCOCCCC1CCCNC1 34a_100150707839_100009817443 [0,1,0,1,0,0|2,0,0]=4 10803 B18R1.10603 NC(=O)CCCCCOCCCC1CCNCC1 34a_100016988962_100009817443 [0,1,0,1,0,0|2,0,0]=4 10804 B18R1.10603 NC(=O)CCCCCOCCCN1CCCCC1 34a_100000123541_100000690320 [0,1,0,1,0,0|2,0,0]=4 10805 B18R1.10603 NC(=O)CCCCCOCCCN1CCCCC1 34a_100000212458_100009817443 [0,1,0,1,0,0|2,0,0]=4 10806 B18R1.10603 NC(=O)CCCCCOCCCN1CCCCC1 7a_100000123541_100000007876 [0,1,0,1,0,0|2,0,0]=4 10807 B18R1.10603 NC(=O)CCCCCOCCNC1CCCCC1 34a_100000200466_100009817443 [0,1,0,1,0,0|2,0,0]=4 10808 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 34a_100000123541_100011211530 [0,1,0,1,0,0|2,0,0]=4 10809 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 34a_100011249652_100009817443 [0,1,0,1,0,0|2,0,0]=4 10810 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 7a_100000123541_100011211530 [0,1,0,1,0,0|2,0,0]=4 10811 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 7a_100011249652_100009817443 [0,1,0,1,0,0|2,0,0]=4 10812 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100009817443_100011713725 [0,1,0,1,0,0|1,0,0]=3 10813 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100011713725_100009817443 [0,1,0,1,0,0|1,0,0]=3 10814 B18R1.10603 NC(=O)CCCCCSCCCN1CCCCC1 62a_100009817443_100000007876 [0,1,0,1,0,0|2,0,0]=4 10815 B18R1.10603 NC(=O)CCCCCSCCCN1CCCCC1 62a_100132302099_100009817443 [0,1,0,1,0,0|2,0,0]=4 10816 B18R1.10603 NC(=O)CCCCCSCCOC1CCCCC1 62a_100009817443_100011211530 [0,1,0,1,0,0|2,0,0]=4 10817 B18R1.10603 NC(=O)CCCCCSCCOC1CCCCC1 62a_100011211530_100009817443 [0,1,0,1,0,0|2,0,0]=4 10818 B18R1.10603 NC(=O)CCCOCCCCCN1CCCCC1 34a_100011216611_100102525003 [0,1,0,1,0,0|2,0,0]=4 10819 B18R1.10603 NC(=O)CCCOCCCCCN1CCCCC1 7a_100011216611_100102525003 [0,1,0,1,0,0|2,0,0]=4 10820 B18R1.10603 NC(=O)COCCOCCCCC1CCCCC1 34a_100011215267_100000076697 [0,1,0,1,0,0|2,0,0]=4 10821 B18R1.10603 NC(=O)COCCOCCCCC1CCCCC1 7a_100011215267_100000076697 [0,1,0,1,0,0|2,0,0]=4 10822 B18R1.10603 O=C(O)CNCCCCCCOC1CCCCO1 269956a_100016091260_100000033462 [0,1,0,1,0,0|2,0,0]=4 10823 B18R1.10603 O=C(O)COCCOCCNCC1CCCCC1 269956a_100009854275_100000211423 [0,1,0,1,0,0|2,0,0]=4 10824 B18R1.10603 O=C([O-])CCCCCOCCCC1CCCCC1 7a_100102619762_100011713725 [0,1,0,1,0,0|0,0,1]=3 10825 B18R1.10603 O=C([O-])CCCCCOCCCN1CCCCC1 7a_100102619762_100000007876 [0,1,0,1,0,0|1,0,1]=4 10826 B18R1.10603 O=C([O-])CCCCCOCCOC1CCCCC1 7a_100102619762_100011211530 [0,1,0,1,0,0|1,0,1]=4 10827 B18R1.10603 OB(O)CCCCCCNCCC1CCCCC1 2230a_100000738074_100009817187 [0,1,0,1,0,0|1,0,1]=4 10828 B18R1.10603 OB(O)CCCCCCNCCC1CCCCC1 34a_100000738074_100009817187 [0,1,0,1,0,0|1,0,1]=4 10829 B18R1.10603 OB(O)CCCCCCOCCC1CCCCC1 34a_100011217863_100009817187 [0,1,0,1,0,0|1,0,1]=4 10830 B18R1.10603 OB(O)CCCCCCOCCC1CCCCC1 7a_100011217863_100009817187 [0,1,0,1,0,0|1,0,1]=4 10831 B18R1.10603 OB(O)CCCCCCSCCC1CCCCC1 62a_100009817187_100012355289 [0,1,0,1,0,0|1,0,1]=4 10832 B18R1.10603 OB(O)CCCCCCSCCC1CCCCC1 62a_100012355289_100009817187 [0,1,0,1,0,0|1,0,1]=4 10833 B18R1.10603 OB(O)CCCCCNCCCC1CCCCC1 2230a_100011211642_200009817188 [0,1,0,1,0,0|1,0,1]=4 10834 B18R1.10603 OB(O)CCCCCNCCCC1CCCCC1 34a_100011211642_200009817188 [0,1,0,1,0,0|1,0,1]=4 10835 B18R1.10603 OB(O)CCCCCOCCCC1CCCCC1 34a_100000198086_200009817188 [0,1,0,1,0,0|1,0,1]=4 10836 B18R1.10603 OB(O)CCCCCOCCCC1CCCCC1 7a_100000198086_200009817188 [0,1,0,1,0,0|1,0,1]=4 10837 B18R1.10603 OB(O)CCCCCSCCCC1CCCCC1 62a_100011713725_200009817188 [0,1,0,1,0,0|1,0,1]=4 10838 B18R1.10603 OB(O)CCCCCSCCCC1CCCCC1 62a_200009817188_100011713725 [0,1,0,1,0,0|1,0,1]=4 10839 B18R1.10603 OB(O)CCCCOCCCCC1CCCCC1 34a_100011215267_200009817182 [0,1,0,1,0,0|1,0,1]=4 10840 B18R1.10603 OB(O)CCCCOCCCCC1CCCCC1 7a_100011215267_200009817182 [0,1,0,1,0,0|1,0,1]=4 10841 B18R1.13035 CCCCCCCCCCCCCNCC1CO1 2230a_100011215765_100011216344 [0,1,0,1,0,0|1,0,1]=4 10842 B18R1.13035 CCCCCCCCCCCCCNCC1CO1 34a_100011215765_102125554688 [0,1,0,1,0,0|1,0,1]=4 10843 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 34a_100000185773_102125554688 [0,1,0,1,0,0|1,0,1]=4 10844 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 7a_100000185773_102125554688 [0,1,0,1,0,0|1,0,1]=4 10845 B18R1.13035 CCCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210684 [0,1,0,1,0,0|1,0,1]=4 10846 B18R1.13035 CCCCCCCCCCCCCOC[C@@H]1CO1 7a_100000185773_100000745022 [0,1,0,1,0,0|1,0,1]=4 10847 B18R1.13035 CCCCCCCCCCCCCSCC1CO1 62a_102125554688_100011934334 [0,1,0,1,0,0|1,0,1]=4 10848 B18R1.13035 CCCCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011934334 [0,1,0,1,0,0|1,0,1]=4 10849 B18R1.13035 CCCCCCCCCCCCNCCC1CO1 2230a_100000210451_100000732470 [0,1,0,1,0,0|1,0,1]=4 10850 B18R1.13035 CCCCCCCCCCCCNCCC1CO1 34a_100000210451_100000732470 [0,1,0,1,0,0|1,0,1]=4 10851 B18R1.13035 CCCCCCCCCCCCOCCC1CO1 34a_100000210810_100000732470 [0,1,0,1,0,0|1,0,1]=4 10852 B18R1.13035 CCCCCCCCCCCCOCCC1CO1 7a_100000210810_100000732470 [0,1,0,1,0,0|1,0,1]=4 10853 B18R1.13035 CCCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000759014 [0,1,0,1,0,0|1,0,1]=4 10854 B18R1.13035 CCCCCCCCCCCCSCCC1CO1 62a_100000732470_100000759014 [0,1,0,1,0,0|1,0,1]=4 10855 B18R1.13035 CCCCCCCCCCCNCCCC1CO1 2230a_200011215754_100000733510 [0,1,0,1,0,0|1,0,1]=4 10856 B18R1.13035 CCCCCCCCCCCNCCCC1CO1 34a_200011215754_100000733510 [0,1,0,1,0,0|1,0,1]=4 10857 B18R1.13035 CCCCCCCCCCCOCCCC1CO1 34a_100000210809_100000733510 [0,1,0,1,0,0|1,0,1]=4 10858 B18R1.13035 CCCCCCCCCCCOCCCC1CO1 7a_100000210809_100000733510 [0,1,0,1,0,0|1,0,1]=4 10859 B18R1.13035 CCCCCCCCCCCSCCCC1CO1 62a_100000733510_100011215454 [0,1,0,1,0,0|1,0,1]=4 10860 B18R1.13145 C=CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100009814027 [0,1,0,1,0,0|0,0,2]=4 10861 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [0,1,0,1,0,0|0,0,0]=2 10862 B18R1.13145 O=C(O)C1CCN1CCCCCCCCCCO 269956a_100000021838_100009813290 [0,1,0,1,0,0|1,0,0]=3 10863 B18R1.13830 NC(=O)CCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200010167045 [0,1,0,1,0,0|2,0,0]=4 10864 B18R1.13830 NC(=O)CCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200010167045 [0,1,0,1,0,0|2,0,0]=4 10865 B18R1.13830 NC(=O)CCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_200010167045 [0,1,0,1,0,0|2,0,0]=4 10866 B18R1.13993 CC(=O)CCCCNCCCN1CCCCC1C 34a_100000212276_100009817362 [0,1,0,1,0,0|2,0,0]=4 10867 B18R1.13993 CC(=O)CCCCOCCCN1CCCCC1C 34a_100000213889_100009817362 [0,1,0,1,0,0|2,0,0]=4 10868 B18R1.13993 CC(=O)CCCCOCCCN1CCCCC1C 7a_100000213889_100000735457 [0,1,0,1,0,0|2,0,0]=4 10869 B18R1.13993 CC(=O)NCCCCCCNC1CCCCC1C 269862a_200011996284_100000210921 [0,1,0,1,0,0|2,0,0]=4 10870 B18R1.13993 CC(=O)NCCCCCCNC1CCCCC1C 270004a_200011996284_100000210921 [0,1,0,1,0,0|2,0,0]=4 10871 B18R1.13993 CC(=O)SCCCCCCNC1CCCCC1C 269862a_100000704104_100000210921 [0,1,0,1,0,0|2,0,0]=4 10872 B18R1.13993 CC(=O)SCCCCCCNC1CCCCC1C 270004a_100000704104_100000210921 [0,1,0,1,0,0|2,0,0]=4 10873 B18R1.13993 CC1CCCCN1CCNCCCCCC(=O)N 2230a_100000739827_100009817443 [0,1,0,1,0,0|2,0,0]=4 10874 B18R1.13993 CC1CCCCN1CCNCCCCCC(=O)N 34a_100000739827_100009817443 [0,1,0,1,0,0|2,0,0]=4 10875 B18R1.13993 CC1CCCCN1CCOCCCCCC(=O)N 34a_100011305533_100009817443 [0,1,0,1,0,0|2,0,0]=4 10876 B18R1.13993 CN1CCCCC1CCOCCCCCC(=O)N 34a_100000123541_100000211948 [0,1,0,1,0,0|2,0,0]=4 10877 B18R1.13993 CN1CCCCC1CCOCCCCCC(=O)N 7a_100000123541_100000211948 [0,1,0,1,0,0|2,0,0]=4 10878 B18R1.13993 CN1CCCCC1CCOCCCCCC(=O)[O-] 7a_100102619762_100000211948 [0,1,0,1,0,0|1,0,1]=4 10879 B18R1.13993 CN1CCCCC1CCSCCCCCC(=O)N 62a_100000211948_100009817443 [0,1,0,1,0,0|2,0,0]=4 10880 B18R1.13993 CN1CCCCC1CCSCCCCCC(=O)N 62a_100009817443_100000211948 [0,1,0,1,0,0|2,0,0]=4 10881 B18R1.17819 CC1CCN1CCCCCCCCCCC(=O)N 269982a_100000755817_200010167045 [0,1,0,1,0,0|1,0,0]=3 10882 B18R1.17819 CC1CCN1CCCCCCCCCCC(=O)N 34a_100000755817_200010167045 [0,1,0,1,0,0|1,0,0]=3 10883 B18R1.20697 CC(=O)NCCCCCCNCCC1CCCC1 2230a_200011996284_100000760354 [0,1,0,1,0,0|2,0,0]=4 10884 B18R1.20697 CC(=O)NCCCCCCNCCC1CCCC1 34a_200011996284_100000760354 [0,1,0,1,0,0|2,0,0]=4 10885 B18R1.20697 CC(=O)NCCCCCNCCCC1CCCC1 2230a_200012022750_100011713738 [0,1,0,1,0,0|2,0,0]=4 10886 B18R1.20697 CC(=O)NCCCCCNCCCC1CCCC1 34a_200012022750_100011713738 [0,1,0,1,0,0|2,0,0]=4 10887 B18R1.20697 CC(=O)OCCCCCNCCCC1CCCC1 2230a_100000736752_100009813381 [0,1,0,1,0,0|2,0,0]=4 10888 B18R1.20697 CC(=O)OCCCCCNCCCC1CCCC1 34a_100000736752_100000033007 [0,1,0,1,0,0|2,0,0]=4 10889 B18R1.20697 CC(=O)OCCCCCOCCCC1CCCC1 34a_100011215328_100000033007 [0,1,0,1,0,0|2,0,0]=4 10890 B18R1.20697 CC(=O)OCCCCCOCCCC1CCCC1 7a_100011215328_100000033007 [0,1,0,1,0,0|2,0,0]=4 10891 B18R1.20697 CC(=O)OCCCCCSCCCC1CCCC1 62a_100000033007_100011713738 [0,1,0,1,0,0|2,0,0]=4 10892 B18R1.20697 CC(=O)OCCCCCSCCCC1CCCC1 62a_100011713738_100000033007 [0,1,0,1,0,0|2,0,0]=4 10893 B18R1.20697 NC(=O)CCCCCCCCCCN1CCCC1 2230a_100000188435_200010167045 [0,1,0,1,0,0|1,0,0]=3 10894 B18R1.20697 NC(=O)CCCCCCCCCCN1CCCC1 269982a_100000188435_200010167045 [0,1,0,1,0,0|1,0,0]=3 10895 B18R1.20697 NC(=O)CCCCCCCCCCN1CCSC1 2230a_100011215254_200010167045 [0,1,0,1,0,0|2,0,0]=4 10896 B18R1.20697 NC(=O)CCCCCCCCCCN1CCSC1 269982a_100011215254_200010167045 [0,1,0,1,0,0|2,0,0]=4 10897 B18R1.20697 NC(=O)CCCCCNCCCOC1CCCC1 34a_100000747560_100009817443 [0,1,0,1,0,0|2,0,0]=4 10898 B18R1.20697 O=C(O)COCCOCCNCCC1CCCC1 269956a_100009854275_100000760354 [0,1,0,1,0,0|2,0,0]=4 10899 B18R1.20697 OB(O)CCCCCCNCCCC1CCCC1 2230a_100000736752_100009817187 [0,1,0,1,0,0|1,0,1]=4 10900 B18R1.20697 OB(O)CCCCCCNCCCC1CCCC1 34a_100000736752_100009817187 [0,1,0,1,0,0|1,0,1]=4 10901 B18R1.20697 OB(O)CCCCCCOCCCC1CCCC1 34a_100011215328_100009817187 [0,1,0,1,0,0|1,0,1]=4 10902 B18R1.20697 OB(O)CCCCCCOCCCC1CCCC1 7a_100011215328_100009817187 [0,1,0,1,0,0|1,0,1]=4 10903 B18R1.20697 OB(O)CCCCCCSCCCC1CCCC1 62a_100009817187_100011713738 [0,1,0,1,0,0|1,0,1]=4 10904 B18R1.20697 OB(O)CCCCCCSCCCC1CCCC1 62a_100011713738_100009817187 [0,1,0,1,0,0|1,0,1]=4 10905 B18R1.20745 NC(=O)CCCCCCCCCCNCC1CC1 2230a_100000735609_200010167045 [0,1,0,1,0,0|1,0,0]=3 10906 B18R1.20745 NC(=O)CCCCCCCCCCNCC1CC1 34a_100000735609_200010167045 [0,1,0,1,0,0|1,0,0]=3 10907 B18R1.20745 NC(=O)CCCCCCCCCCOCC1CC1 34a_100000211283_200010167045 [0,1,0,1,0,0|1,0,0]=3 10908 B18R1.20745 NC(=O)CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_200010167045 [0,1,0,1,0,0|2,0,0]=4 10909 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CC1 62a_100000756562_200010167045 [0,1,0,1,0,0|1,0,0]=3 10910 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CC1 62a_200010167045_100000742324 [0,1,0,1,0,0|1,0,0]=3 10911 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CO1 62a_102125554688_200010167045 [0,1,0,1,0,0|2,0,0]=4 10912 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CO1 62a_200010167045_102125554688 [0,1,0,1,0,0|2,0,0]=4 10913 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CS1 62a_100000031435_200010167045 [0,1,0,1,0,0|2,0,0]=4 10914 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CS1 62a_200010167045_100000031435 [0,1,0,1,0,0|2,0,0]=4 10915 B18R1.20745 NC(=O)CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_200010167045 [0,1,0,1,0,0|2,0,0]=4 10916 B18R1.20745 NC(=O)CCCCCCCCCCSC[C@@H]1CO1 62a_200010167045_100000745022 [0,1,0,1,0,0|2,0,0]=4 10917 B18R1.21181 NC(=O)CCCCCCCCCCNC1CCC1 2230a_100000749019_200010167045 [0,1,0,1,0,0|1,0,0]=3 10918 B18R1.21181 NC(=O)CCCCCCCCCCNC1CCC1 34a_100000749019_200010167045 [0,1,0,1,0,0|1,0,0]=3 10919 B18R1.21181 NC(=O)CCCCCCCCCCNC1COC1 2230a_100016991112_200010167045 [0,1,0,1,0,0|2,0,0]=4 10920 B18R1.21181 NC(=O)CCCCCCCCCCOC1CCC1 34a_100000748187_200010167045 [0,1,0,1,0,0|1,0,0]=3 10921 B18R1.21181 NC(=O)CCCCCCCCCCOC1CSC1 7a_100000072292_200010167045 [0,1,0,1,0,0|2,0,0]=4 10922 B18R1.21181 NC(=O)CCCCCCCCCCSC1CCC1 62a_200010167045_100000749161 [0,1,0,1,0,0|1,0,0]=3 10923 B18R1.21181 NC(=O)CCCCCCCCCCSC1COC1 62a_200010167045_100009818527 [0,1,0,1,0,0|2,0,0]=4 10924 B18R1.21929 C=CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011933949 [0,1,0,1,0,0|0,0,2]=4 10925 B18R1.21929 CCC#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000036426 [0,1,0,1,0,0|0,0,2]=4 10926 B18R1.21929 CCCCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210320 [0,1,0,1,0,0|0,0,2]=4 10927 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210320 [0,1,0,1,0,0|1,0,0]=3 10928 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210320 [0,1,0,1,0,0|0,0,0]=2 10929 B18R1.21929 CCCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210320 [0,1,0,1,0,0|1,0,0]=3 10930 B18R1.21929 CCCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210320 [0,1,0,1,0,0|1,0,0]=3 10931 B18R1.21929 CCCCCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210759 [0,1,0,1,0,0|2,0,0]=4 10932 B18R1.21929 CCCCCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210759 [0,1,0,1,0,0|2,0,0]=4 10933 B18R1.21929 CCCCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210759 [0,1,0,1,0,0|2,0,0]=4 10934 B18R1.21929 CCCCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210759 [0,1,0,1,0,0|2,0,0]=4 10935 B18R1.21929 NC(=O)[C@@H]1CCCN1CCCCCCCCCO 2230a_100000003125_100009813782 [0,1,0,1,0,0|2,0,0]=4 10936 B18R1.21929 O=C(O)C1SCCN1CCCCCCCCCO 269956a_100000035718_100009813782 [0,1,0,1,0,0|2,0,0]=4 10937 B18R1.21929 O=C(O)[C@@H]1CCCN1CCCCCCCCCO 269956a_100000743916_100009813782 [0,1,0,1,0,0|1,0,0]=3 10938 B18R1.21929 O=C(O)[C@@H]1CSCN1CCCCCCCCCO 269956a_100000743924_100009813782 [0,1,0,1,0,0|2,0,0]=4 10939 B18R1.22565 C#CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012276617 [0,1,0,1,0,0|0,0,2]=4 10940 B18R1.22565 C=CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215473 [0,1,0,1,0,0|0,0,2]=4 10941 B18R1.22565 CCCCCC#CCN1CCCCCC1C(=O)O 269956a_100000758484_100009816472 [0,1,0,1,0,0|0,0,2]=4 10942 B18R1.22565 CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210759 [0,1,0,1,0,0|0,0,0]=2 10943 B18R1.22565 CCOCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011211534 [0,1,0,1,0,0|2,0,0]=4 10944 B18R1.22565 COCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011998445 [0,1,0,1,0,0|1,0,0]=3 10945 B18R1.22565 COCCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011216529 [0,1,0,1,0,0|2,0,0]=4 10946 B18R1.22565 N#CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100009813337 [0,1,0,1,0,0|1,0,1]=4 10947 B18R1.22565 O=C(O)C1CCCCCN1CCCCCCCO 269956a_100000758484_100000760002 [0,1,0,1,0,0|1,0,0]=3 10948 B18R1.35001 CCCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210320 [0,1,0,1,0,0|1,0,1]=4 10949 B18R1.35001 CCCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210320 [0,1,0,1,0,0|1,0,1]=4 10950 B18R1.36057 C#CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100010269958 [0,1,0,1,0,0|0,0,2]=4 10951 B18R1.36057 C=CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215482 [0,1,0,1,0,0|0,0,2]=4 10952 B18R1.36057 CC/C=C\CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100015370543 [0,1,0,1,0,0|0,0,2]=4 10953 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [0,1,0,1,0,0|0,0,0]=2 10954 B18R1.36057 CCCCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011995733 [0,1,0,1,0,0|1,0,0]=3 10955 B18R1.36057 CCCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215938 [0,1,0,1,0,0|1,0,0]=3 10956 B18R1.36057 CCOCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100012232248 [0,1,0,1,0,0|1,0,0]=3 10957 B18R1.36057 COCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000730899 [0,1,0,1,0,0|1,0,0]=3 10958 B18R1.36057 COCCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000231047 [0,1,0,1,0,0|2,0,0]=4 10959 B18R1.36057 N#CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011219923 [0,1,0,1,0,0|1,0,1]=4 10960 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCF 269956a_200049070474_100000729378 [0,1,0,1,0,0|1,0,0]=3 10961 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCO 269956a_200049070474_100000746330 [0,1,0,1,0,0|1,0,0]=3 10962 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCOCCO 269956a_200049070474_100011215305 [0,1,0,1,0,0|2,0,0]=4 10963 B18R1.36057 O=CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000139335 [0,1,0,1,0,0|1,0,1]=4 10964 B18R1.36890 CC(=O)NCCCCNC1CCCCCCCC1 270004a_200011368371_100000038600 [0,1,0,1,0,0|2,0,0]=4 10965 B18R1.36890 CC(=O)OCCCCCN1CCCCCCCC1 2230a_100000039187_100009813381 [0,1,0,1,0,0|2,0,0]=4 10966 B18R1.36890 CC(=O)OCCCCCN1CCCCCCCC1 269982a_100000039187_100000033007 [0,1,0,1,0,0|2,0,0]=4 10967 B18R1.36890 CC(=O)OCCCCCN1CCCCCCCC1 34a_100000039187_100000033007 [0,1,0,1,0,0|2,0,0]=4 10968 B18R1.36890 OB(O)CCCCCCN1CCCCCCCC1 2230a_100000039187_100009817187 [0,1,0,1,0,0|1,0,1]=4 10969 B18R1.36890 OB(O)CCCCCCN1CCCCCCCC1 269982a_100000039187_100009817187 [0,1,0,1,0,0|1,0,1]=4 10970 B18R1.36890 OB(O)CCCCCCN1CCCCCCCC1 34a_100000039187_100009817187 [0,1,0,1,0,0|1,0,1]=4 10971 B18R1.38081 CCC1CCCC1NCCCCCCNC(=O)C 269862a_200011996284_100000749056 [0,1,0,1,0,0|2,0,0]=4 10972 B18R1.38081 CCC1CCCC1NCCCCCCNC(=O)C 270004a_200011996284_100000749056 [0,1,0,1,0,0|2,0,0]=4 10973 B18R1.38081 CCC1CCCC1NCCCCCCSC(=O)C 269862a_100000704104_100000749056 [0,1,0,1,0,0|2,0,0]=4 10974 B18R1.38081 CCC1CCCC1NCCCCCCSC(=O)C 270004a_100000704104_100000749056 [0,1,0,1,0,0|2,0,0]=4 10975 B18R1.40541 CCCCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210320 [0,1,0,1,0,0|1,0,1]=4 10976 B18R1.40541 CCCCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210320 [0,1,0,1,0,0|1,0,1]=4 10977 B18R1.40541 CCCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210320 [0,1,0,1,0,0|2,0,0]=4 10978 B18R1.174647 CC(=O)CCCCNCCC1CCCCCCC1 34a_100011532352_100009817362 [0,1,0,1,0,0|1,0,0]=3 10979 B18R1.174647 CC(=O)NCCCCCNC1CCCCCCC1 270004a_200012022750_100000210524 [0,1,0,1,0,0|2,0,0]=4 10980 B18R1.174647 CC(=O)OCCCCCNC1CCCCCCC1 2230a_100000211152_100009813381 [0,1,0,1,0,0|2,0,0]=4 10981 B18R1.174647 CC(=O)OCCCCCNC1CCCCCCC1 34a_100000211152_100000033007 [0,1,0,1,0,0|2,0,0]=4 10982 B18R1.174647 CC(=O)OCCCCCOC1CCCCCCC1 34a_100000210054_100000033007 [0,1,0,1,0,0|2,0,0]=4 10983 B18R1.174647 CC(=O)OCCCCCOC1CCCCCCC1 7a_100000210054_100000033007 [0,1,0,1,0,0|2,0,0]=4 10984 B18R1.174647 CC(=O)OCCCCOCC1CCCCCCC1 34a_100011216312_100000033659 [0,1,0,1,0,0|2,0,0]=4 10985 B18R1.174647 CC(=O)OCCCCOCC1CCCCCCC1 7a_100011216312_100000033659 [0,1,0,1,0,0|2,0,0]=4 10986 B18R1.174647 CC(=O)OCCCNCCC1CCCCCCC1 34a_100011532352_100000042594 [0,1,0,1,0,0|2,0,0]=4 10987 B18R1.174647 CC(=O)SCCCCOCC1CCCCCCC1 34a_100011216312_200010402107 [0,1,0,1,0,0|2,0,0]=4 10988 B18R1.174647 CC(=O)SCCCCOCC1CCCCCCC1 7a_100011216312_200010402107 [0,1,0,1,0,0|2,0,0]=4 10989 B18R1.174647 CC(=O)SCCCNCCC1CCCCCCC1 2230a_100011532352_100000038929 [0,1,0,1,0,0|2,0,0]=4 10990 B18R1.174647 CC(=O)SCCCNCCC1CCCCCCC1 34a_100011532352_100000038929 [0,1,0,1,0,0|2,0,0]=4 10991 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 34a_100011216312_100009817443 [0,1,0,1,0,0|1,0,0]=3 10992 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 7a_100011216312_100009817443 [0,1,0,1,0,0|1,0,0]=3 10993 B18R1.174647 NC(=O)COCCNCCC1CCCCCCC1 2230a_100011532352_100000076697 [0,1,0,1,0,0|2,0,0]=4 10994 B18R1.174647 NC(=O)COCCNCCC1CCCCCCC1 34a_100011532352_100000076697 [0,1,0,1,0,0|2,0,0]=4 10995 B18R1.174647 OB(O)CCCCCCNC1CCCCCCC1 2230a_100000211152_100009817187 [0,1,0,1,0,0|1,0,1]=4 10996 B18R1.174647 OB(O)CCCCCCNC1CCCCCCC1 34a_100000211152_100009817187 [0,1,0,1,0,0|1,0,1]=4 10997 B18R1.174647 OB(O)CCCCCCOC1CCCCCCC1 34a_100000210054_100009817187 [0,1,0,1,0,0|1,0,1]=4 10998 B18R1.174647 OB(O)CCCCCCOC1CCCCCCC1 7a_100000210054_100009817187 [0,1,0,1,0,0|1,0,1]=4 10999 B18R1.174647 OB(O)CCCCCOCC1CCCCCCC1 34a_100011216312_200009817188 [0,1,0,1,0,0|1,0,1]=4 11000 B18R1.174647 OB(O)CCCCCOCC1CCCCCCC1 7a_100011216312_200009817188 [0,1,0,1,0,0|1,0,1]=4 11001 B18R1.174647 OB(O)CCCCNCCC1CCCCCCC1 2230a_100011532352_200009817182 [0,1,0,1,0,0|1,0,1]=4 11002 B18R1.174647 OB(O)CCCCNCCC1CCCCCCC1 34a_100011532352_200009817182 [0,1,0,1,0,0|1,0,1]=4 11003 B18R1.175218 CC(=O)CCCCOCCCN1CCCCCC1 34a_100102886287_100009817362 [0,1,0,1,0,0|2,0,0]=4 11004 B18R1.175218 CC(=O)CCCCOCCCN1CCCCCC1 7a_100102886287_100000735457 [0,1,0,1,0,0|2,0,0]=4 11005 B18R1.175218 CC(=O)CCCOCCCCN1CCCCCC1 34a_100011305542_100000685027 [0,1,0,1,0,0|2,0,0]=4 11006 B18R1.175218 CC(=O)NCCCCCCNC1CCCCCC1 270004a_200011996284_100000210131 [0,1,0,1,0,0|2,0,0]=4 11007 B18R1.175218 CC(=O)NCCCCCCNC1CCCCCC1 34a_200011996284_100011217769 [0,1,0,1,0,0|2,0,0]=4 11008 B18R1.175218 CC(=O)NCCCCCNCC1CCCCCC1 2230a_200012022750_200000696569 [0,1,0,1,0,0|2,0,0]=4 11009 B18R1.175218 CC(=O)NCCCCCNCC1CCCCCC1 269862a_200012022750_200000763224 [0,1,0,1,0,0|2,0,0]=4 11010 B18R1.175218 CC(=O)NCCCCCNCC1CCCCCC1 34a_200012022750_200000696569 [0,1,0,1,0,0|2,0,0]=4 11011 B18R1.175218 CC(=O)OCCCCCNCC1CCCCCC1 2230a_100015204231_100009813381 [0,1,0,1,0,0|2,0,0]=4 11012 B18R1.175218 CC(=O)OCCCCCNCC1CCCCCC1 34a_100015204231_100000033007 [0,1,0,1,0,0|2,0,0]=4 11013 B18R1.175218 CC(=O)OCCCCCOCC1CCCCCC1 34a_100000699130_100000033007 [0,1,0,1,0,0|2,0,0]=4 11014 B18R1.175218 CC(=O)OCCCCCOCC1CCCCCC1 7a_100000699130_100000033007 [0,1,0,1,0,0|2,0,0]=4 11015 B18R1.175218 CC(=O)OCCCCCSCC1CCCCCC1 62a_100000033007_200000696569 [0,1,0,1,0,0|2,0,0]=4 11016 B18R1.175218 CC(=O)OCCCCCSCC1CCCCCC1 62a_200000696569_100000033007 [0,1,0,1,0,0|2,0,0]=4 11017 B18R1.175218 CC(=O)OCCCCNCCC1CCCCCC1 34a_100011532351_100000033659 [0,1,0,1,0,0|2,0,0]=4 11018 B18R1.175218 CC(=O)SCCCCCCNC1CCCCCC1 270004a_100000704104_100000210131 [0,1,0,1,0,0|2,0,0]=4 11019 B18R1.175218 CC(=O)SCCCCNCCC1CCCCCC1 2230a_100011532351_200010402107 [0,1,0,1,0,0|2,0,0]=4 11020 B18R1.175218 CC(=O)SCCCCNCCC1CCCCCC1 34a_100011532351_200010402107 [0,1,0,1,0,0|2,0,0]=4 11021 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 2230a_100011532351_100009817443 [0,1,0,1,0,0|1,0,0]=3 11022 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 34a_100011532351_100009817443 [0,1,0,1,0,0|1,0,0]=3 11023 B18R1.175218 NC(=O)CCCCCOCCN1CCCCCC1 34a_100000238007_100009817443 [0,1,0,1,0,0|2,0,0]=4 11024 B18R1.175218 NC(=O)CCCCCOCCN1CCCCCC1 7a_100000123541_100000722644 [0,1,0,1,0,0|2,0,0]=4 11025 B18R1.175218 NC(=O)CCCCCSCCN1CCCCCC1 62a_100000722644_100009817443 [0,1,0,1,0,0|2,0,0]=4 11026 B18R1.175218 NC(=O)CCCCCSCCN1CCCCCC1 62a_100009817443_100000722644 [0,1,0,1,0,0|2,0,0]=4 11027 B18R1.175218 NC(=O)CCCOCCCCN1CCCCCC1 34a_100011305542_100102525003 [0,1,0,1,0,0|2,0,0]=4 11028 B18R1.175218 O=C(O)COCCOCCNC1CCCCCC1 269956a_100009854275_100011217769 [0,1,0,1,0,0|2,0,0]=4 11029 B18R1.175218 O=C([O-])CCCCCOCCN1CCCCCC1 7a_100102619762_100000722644 [0,1,0,1,0,0|1,0,1]=4 11030 B18R1.175218 OB(O)CCCCCCNCC1CCCCCC1 2230a_100015204231_100009817187 [0,1,0,1,0,0|1,0,1]=4 11031 B18R1.175218 OB(O)CCCCCCNCC1CCCCCC1 34a_100015204231_100009817187 [0,1,0,1,0,0|1,0,1]=4 11032 B18R1.175218 OB(O)CCCCCCOCC1CCCCCC1 34a_100000699130_100009817187 [0,1,0,1,0,0|1,0,1]=4 11033 B18R1.175218 OB(O)CCCCCCOCC1CCCCCC1 7a_100000699130_100009817187 [0,1,0,1,0,0|1,0,1]=4 11034 B18R1.175218 OB(O)CCCCCCSCC1CCCCCC1 62a_100009817187_200000696569 [0,1,0,1,0,0|1,0,1]=4 11035 B18R1.175218 OB(O)CCCCCCSCC1CCCCCC1 62a_200000696569_100009817187 [0,1,0,1,0,0|1,0,1]=4 11036 B18R1.175218 OB(O)CCCCCNCCC1CCCCCC1 2230a_100011532351_200009817188 [0,1,0,1,0,0|1,0,1]=4 11037 B18R1.175218 OB(O)CCCCCNCCC1CCCCCC1 34a_100011532351_200009817188 [0,1,0,1,0,0|1,0,1]=4 11038 B18R1.1134 CCCCCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011218727 [0,1,0,1,0,0|2,0,0]=4 11039 B18R1.10573 CCCCCCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210614 [0,1,0,1,0,0|1,0,1]=4 11040 B18R1.10573 CCCCCCCC(C)N1CCCCC1C(=O)N 2230a_100000181395_200011218727 [0,1,0,1,0,0|2,0,0]=4 11041 B18R1.10573 CCCCCCCC(C)N1CCCCC1C(=O)N 269982a_100000181395_200011218727 [0,1,0,1,0,0|2,0,0]=4 11042 B18R1.10573 CCCCCCCC(C)N1CCCCC1C(=O)N 270004a_100000181395_100000210596 [0,1,0,1,0,0|2,0,0]=4 11043 B18R1.10573 CCCCCCCC(C)N1CCCCC1C(=O)N 34a_100000181395_200011218727 [0,1,0,1,0,0|2,0,0]=4 11044 B18R1.10573 CCCCCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011218727 [0,1,0,1,0,0|1,0,0]=3 11045 B18R1.10573 CCCCCCCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200011218727 [0,1,0,1,0,0|2,0,0]=4 11046 B18R1.10573 CCCCCCCC(C)N1CCSCC1C(=O)O 269956a_100011346106_200011218727 [0,1,0,1,0,0|2,0,0]=4 11047 B18R1.10573 CCCCCCCC(C)N1CSCCC1C(=O)O 269956a_100015185162_200011218727 [0,1,0,1,0,0|2,0,0]=4 11048 B18R1.10619 CC(=O)CCCCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100009817362 [0,1,0,1,0,0|2,0,0]=4 11049 B18R1.36070 CCCCCCCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210681 [0,1,0,1,0,0|2,0,0]=4 11050 B18R1.36070 CCCCCCCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210681 [0,1,0,1,0,0|2,0,0]=4 11051 B18R1.36070 CCCCCCCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210614 [0,1,0,1,0,0|2,0,0]=4 11052 B18R1.1305 CCCCCCCCC(C)COC1COC(=O)O1 34a_200012125181_100000032252 [0,1,0,1,0,0|2,0,0]=4 11053 B18R1.1305 CCCCCCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100011216694 [0,1,0,1,0,0|2,0,0]=4 11054 B18R1.1305 CCCCCCCCC(C)OCC1CNC(=O)O1 34a_100000210740_100000181169 [0,1,0,1,0,0|2,0,0]=4 11055 B18R1.1305 CCCCCCCCC(C)OCC1CNC(=O)O1 7a_100000210740_100000181169 [0,1,0,1,0,0|2,0,0]=4 11056 B18R1.1305 CCCCCCCCC(C)OCC1COC(=O)O1 34a_100000210740_100000073702 [0,1,0,1,0,0|2,0,0]=4 11057 B18R1.1305 CCCCCCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000210740_100015189358 [0,1,0,1,0,0|2,0,0]=4 11058 B18R1.7837 CCCCCCCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100011216694 [0,1,0,1,0,0|2,0,0]=4 11059 B18R1.10618 NC(=O)CCCCCC(=O)CCC1CCCCC1 1458a_100000211375_100009817443 [0,1,0,1,0,0|1,0,1]=4 11060 B18R1.20734 CN(CCCCCC(=O)N)CCCC1CCCC1 2230a_100015186261_100009817443 [0,1,0,1,0,0|2,0,0]=4 11061 B18R1.20734 CN(CCCCCC(=O)N)CCCC1CCCC1 269982a_100015186261_100009817443 [0,1,0,1,0,0|2,0,0]=4 11062 B18R1.20734 CN(CCCCCC(=O)N)CCCC1CCCC1 34a_100015186261_100009817443 [0,1,0,1,0,0|2,0,0]=4 11063 B18R1.41012 CCCCCCCCC(C)COCC1CC(=O)C1 7a_200012125181_100009874392 [0,1,0,1,0,0|2,0,0]=4 11064 B18R1.41031 CCCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210759 [0,1,0,1,0,0|1,0,0]=3 11065 B18R1.41031 CCCCCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210759 [0,1,0,1,0,0|2,0,0]=4 11066 B18R1.41031 COCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011998445 [0,1,0,1,0,0|2,0,0]=4 11067 B18R1.41031 O=C(O)CC1CCCN(C1)CCCCCCCO 269956a_100015207179_100000760002 [0,1,0,1,0,0|2,0,0]=4 11068 B18R1.175731 NC(=O)CCCCCC(=O)CC1CCCCCC1 1458a_100000685095_100009817443 [0,1,0,1,0,0|1,0,1]=4 11069 B18R1.35427 CCCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210670 [0,1,0,1,0,0|1,0,0]=3 11070 B18R1.35427 O=C(O)CC1CCN(C1)CCCCCCCCO 269956a_100000719201_100000033203 [0,1,0,1,0,0|2,0,0]=4 11071 B18R1.40319 CCCCCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_200011216720 [0,1,0,1,0,0|2,0,0]=4 11072 B18R1.97396 CN(CC(=O)N)C1CCCCCCCCCCC1 270004a_100000739694_100000210130 [0,1,0,1,0,0|2,0,0]=4 11073 B18R1.1157 CC(=O)CCCCOCCC(N)C1CCCCC1 34a_200020622111_100009817362 [0,1,0,1,0,0|2,0,0]=4 11074 B18R1.1157 NC(=O)CCCCCOC[C@H](N)C1CCCCC1 34a_100009817630_100009817443 [0,1,0,1,0,0|2,0,0]=4 11075 B18R1.5197 CCCCCCC(C)CCOCC1CNC(=O)O1 34a_200011024964_100000181169 [0,1,0,1,0,0|2,0,0]=4 11076 B18R1.5197 CCCCCCC(C)CCOCC1CNC(=O)O1 7a_200011024964_100000181169 [0,1,0,1,0,0|2,0,0]=4 11077 B18R1.5197 CCCCCCC(C)CCOCC1COC(=O)O1 34a_200011024964_100000073702 [0,1,0,1,0,0|2,0,0]=4 11078 B18R1.5197 CCCCCCC(C)CCOC[C@@H]1CCC(=O)N1 7a_200011024964_100015189358 [0,1,0,1,0,0|2,0,0]=4 11079 B18R1.5233 CCCCCCC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100011215978 [0,1,0,1,0,0|2,0,0]=4 11080 B18R1.5233 CCCCCCC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100011215978 [0,1,0,1,0,0|2,0,0]=4 11081 B18R1.5233 CCCCCCC(C)N1CCCCC1CC(=O)N 270004a_100015184752_100000210826 [0,1,0,1,0,0|2,0,0]=4 11082 B18R1.5233 CCCCCCC(C)N1CCCCC1CC(=O)N 34a_100015184752_100011215978 [0,1,0,1,0,0|2,0,0]=4 11083 B18R1.7235 CCCCCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215978 [0,1,0,1,0,0|1,0,0]=3 11084 B18R1.59686 CCCCCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100011215978 [0,1,0,1,0,0|1,0,0]=3 11085 B18R1.1410 CCCCC(C)CCCCOCC1CNC(=O)O1 34a_200011021034_100000181169 [0,1,0,1,0,0|2,0,0]=4 11086 B18R1.1410 CCCCC(C)CCCCOCC1CNC(=O)O1 7a_200011021034_100000181169 [0,1,0,1,0,0|2,0,0]=4 11087 B18R1.1410 CCCCC(C)CCCCOCC1COC(=O)O1 34a_200011021034_100000073702 [0,1,0,1,0,0|2,0,0]=4 11088 B18R1.1410 CCCCC(C)CCCCOC[C@@H]1CCC(=O)N1 7a_200011021034_100015189358 [0,1,0,1,0,0|2,0,0]=4 11089 B18R1.9219 CC(C)CCCCCCCOCC1CNC(=O)O1 34a_200000210741_100000181169 [0,1,0,1,0,0|2,0,0]=4 11090 B18R1.9219 CC(C)CCCCCCCOCC1CNC(=O)O1 7a_200000210741_100000181169 [0,1,0,1,0,0|2,0,0]=4 11091 B18R1.9219 CC(C)CCCCCCCOCC1COC(=O)O1 34a_200000210741_100000073702 [0,1,0,1,0,0|2,0,0]=4 11092 B18R1.9219 CC(C)CCCCCCCOC[C@@H]1CCC(=O)N1 7a_200000210741_100015189358 [0,1,0,1,0,0|2,0,0]=4 11093 B18R1.306406 CCCCC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200011215066 [0,1,0,1,0,0|1,0,0]=3 11094 B18R1.1759 CCCCCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_200011218191 [0,1,0,1,0,0|1,0,0]=3 11095 B18R1.2590 CCCCCC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_200012276598 [0,1,0,1,0,0|1,0,1]=4 11096 B18R1.7036 CCCCCC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200012276598 [0,1,0,1,0,0|1,0,1]=4 11097 B18R1.262665 NC(=O)CCCCCNCCC1(CCCCC1)O 2230a_100102740465_100009817443 [0,1,0,1,0,0|2,0,0]=4 11098 B18R1.262665 NC(=O)CCCCCNCCC1(CCCCC1)O 34a_100102740465_100009817443 [0,1,0,1,0,0|2,0,0]=4 11099 B18R1.27 CCCCCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210320 [0,1,0,1,0,0|2,0,0]=4 11100 B18R1.27 CCCCCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210320 [0,1,0,1,0,0|2,0,0]=4 11101 B18R1.27 CCCCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210320 [0,1,0,1,0,0|2,0,0]=4 11102 B18R1.27 CCCCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210320 [0,1,0,1,0,0|2,0,0]=4 11103 B18R1.27 CCCCCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210320 [0,1,0,1,0,0|2,0,0]=4 11104 B18R1.27 CCCCCCCCCOCC1CCC(=O)CC1 34a_100000062911_100011214924 [0,1,0,1,0,0|2,0,0]=4 11105 B18R1.324 CCCCCCCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210759 [0,1,0,1,0,0|2,0,0]=4 11106 B18R1.324 CCCCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210759 [0,1,0,1,0,0|1,0,0]=3 11107 B18R1.324 COCCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100011998445 [0,1,0,1,0,0|2,0,0]=4 11108 B18R1.324 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCCCO 269956a_100009817619_100000760002 [0,1,0,1,0,0|2,0,0]=4 11109 B18R1.374 CCCCCCC1CCCC1N(C)CCC(=O)N 270004a_100000730477_100000189428 [0,1,0,1,0,0|2,0,0]=4 11110 B18R1.5433 CCCCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100011214924 [0,1,0,1,0,0|2,0,0]=4 11111 B18R1.5433 CCCCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210670 [0,1,0,1,0,0|2,0,0]=4 11112 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100011214924 [0,1,0,1,0,0|2,0,0]=4 11113 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210670 [0,1,0,1,0,0|2,0,0]=4 11114 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100011214924 [0,1,0,1,0,0|2,0,0]=4 11115 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210670 [0,1,0,1,0,0|1,0,0]=3 11116 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210670 [0,1,0,1,0,0|1,0,0]=3 11117 B18R1.5433 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCCCO)F 269956a_100016993324_100000033203 [0,1,0,1,0,0|2,0,0]=4 11118 B18R1.5433 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCCCO)O 269956a_100000750407_100000033203 [0,1,0,1,0,0|2,0,0]=4 11119 B18R1.13152 CCCCCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100011215454 [0,1,0,1,0,0|2,0,0]=4 11120 B18R1.13152 CCCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210320 [0,1,0,1,0,0|1,0,0]=3 11121 B18R1.13152 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCCCO 269956a_100000738708_100009813782 [0,1,0,1,0,0|2,0,0]=4 11122 B18R1.41516 CCCCCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011215454 [0,1,0,1,0,0|1,0,1]=4 11123 B18R1.373 CCCCCCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000189428 [0,1,0,1,0,0|2,0,0]=4 11124 B18R1.373 CCCCCCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000189428 [0,1,0,1,0,0|2,0,0]=4 11125 B18R1.681 CCCCCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210759 [0,1,0,1,0,0|2,0,0]=4 11126 B18R1.681 CCCCCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210759 [0,1,0,1,0,0|2,0,0]=4 11127 B18R1.939 COC(=O)CCCCN1CCCCC1CCCO 2230a_100011934581_100000204269 [0,1,0,1,0,0|2,0,0]=4 11128 B18R1.939 COC(=O)CCCCN1CCCCC1CCCO 269982a_100011934581_100000204269 [0,1,0,1,0,0|2,0,0]=4 11129 B18R1.939 COC(=O)CCCCN1CCCCC1CCCO 34a_100011934581_100000204269 [0,1,0,1,0,0|2,0,0]=4 11130 B18R1.939 COCCC1CCCCN1CCCCC(=O)OC 2230a_100015186528_100000204269 [0,1,0,1,0,0|2,0,0]=4 11131 B18R1.939 COCCC1CCCCN1CCCCC(=O)OC 269982a_100015186528_100000204269 [0,1,0,1,0,0|2,0,0]=4 11132 B18R1.939 COCCC1CCCCN1CCCCC(=O)OC 34a_100015186528_100000204269 [0,1,0,1,0,0|2,0,0]=4 11133 B18R1.1160 COC(=O)CCCCCCCCCN1CCCC1 2230a_100000188435_100009813843 [0,1,0,1,0,0|1,0,0]=3 11134 B18R1.1160 COC(=O)CCCCCCCCCN1CCCC1 269982a_100000188435_100009813843 [0,1,0,1,0,0|1,0,0]=3 11135 B18R1.1160 COC(=O)CCCCCCCCCN1CCSC1 2230a_100011215254_100009813843 [0,1,0,1,0,0|2,0,0]=4 11136 B18R1.1160 COC(=O)CCCCCCCCCN1CCSC1 269982a_100011215254_100009813843 [0,1,0,1,0,0|2,0,0]=4 11137 B18R1.1160 COC(=O)CCCCCCCCNC1CCCC1 2230a_100000211070_100010282707 [0,1,0,1,0,0|1,0,0]=3 11138 B18R1.1160 COC(=O)CCCCCCCCNC1CCCC1 34a_100000211070_100010282707 [0,1,0,1,0,0|1,0,0]=3 11139 B18R1.1160 COC(=O)CCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100010282707 [0,1,0,1,0,0|2,0,0]=4 11140 B18R1.1160 COC(=O)CCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100010282707 [0,1,0,1,0,0|2,0,0]=4 11141 B18R1.1160 COC(=O)CCCCCCCCN[C@H]1CCOC1 34a_100015188467_100010282707 [0,1,0,1,0,0|2,0,0]=4 11142 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 34a_100000035544_100000179811 [0,1,0,1,0,0|1,0,0]=3 11143 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 34a_100000210269_100010282707 [0,1,0,1,0,0|1,0,0]=3 11144 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 7a_100000035544_100000179811 [0,1,0,1,0,0|1,0,0]=3 11145 B18R1.1160 COC(=O)CCCCCCCCOC1CCCC1 7a_100000210269_100010282707 [0,1,0,1,0,0|1,0,0]=3 11146 B18R1.1160 COC(=O)CCCCCCCCOC1CCCO1 34a_100000085407_100010282707 [0,1,0,1,0,0|2,0,0]=4 11147 B18R1.1160 COC(=O)CCCCCCCCOC1CCOC1 34a_100000035544_100000690089 [0,1,0,1,0,0|2,0,0]=4 11148 B18R1.1160 COC(=O)CCCCCCCCOC1CCOC1 7a_100000035544_100000731011 [0,1,0,1,0,0|2,0,0]=4 11149 B18R1.1160 COC(=O)CCCCCCCCOC1CCSC1 7a_100011232664_100010282707 [0,1,0,1,0,0|2,0,0]=4 11150 B18R1.1160 COC(=O)CCCCCCCCO[C@H]1CCOC1 34a_100000717292_100010282707 [0,1,0,1,0,0|2,0,0]=4 11151 B18R1.1160 COC(=O)CCCCCCCCSC1CCCC1 62a_100010282707_100000179811 [0,1,0,1,0,0|1,0,0]=3 11152 B18R1.1160 COC(=O)CCCCCCCCSC1CCCC1 62a_100011217020_100010282707 [0,1,0,1,0,0|1,0,0]=3 11153 B18R1.1160 COC(=O)CCCCCCCCSC1CCOC1 62a_100010282707_100000690089 [0,1,0,1,0,0|2,0,0]=4 11154 B18R1.1160 COC(=O)CCCCCCCNCC1CCCC1 2230a_100000737975_100010004213 [0,1,0,1,0,0|1,0,0]=3 11155 B18R1.1160 COC(=O)CCCCCCCNCC1CCCC1 34a_100000737975_100010004213 [0,1,0,1,0,0|1,0,0]=3 11156 B18R1.1160 COC(=O)CCCCCCCNCC1CCOC1 2230a_100000737293_100010004213 [0,1,0,1,0,0|2,0,0]=4 11157 B18R1.1160 COC(=O)CCCCCCCNCC1CCOC1 34a_100000737293_100010004213 [0,1,0,1,0,0|2,0,0]=4 11158 B18R1.1160 COC(=O)CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100010004213 [0,1,0,1,0,0|2,0,0]=4 11159 B18R1.1160 COC(=O)CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100010004213 [0,1,0,1,0,0|2,0,0]=4 11160 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 34a_100000742336_100010004213 [0,1,0,1,0,0|1,0,0]=3 11161 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 34a_100011022521_100000740388 [0,1,0,1,0,0|1,0,0]=3 11162 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 7a_100000742336_100010004213 [0,1,0,1,0,0|1,0,0]=3 11163 B18R1.1160 COC(=O)CCCCCCCOCC1CCCC1 7a_100011022521_100000740388 [0,1,0,1,0,0|1,0,0]=3 11164 B18R1.1160 COC(=O)CCCCCCCOCC1CCCO1 34a_100000210270_100010004213 [0,1,0,1,0,0|2,0,0]=4 11165 B18R1.1160 COC(=O)CCCCCCCOCC1CCCO1 7a_100000210270_100010004213 [0,1,0,1,0,0|2,0,0]=4 11166 B18R1.1160 COC(=O)CCCCCCCOCC1CCCO1 7a_100011022521_100000203698 [0,1,0,1,0,0|2,0,0]=4 11167 B18R1.1160 COC(=O)CCCCCCCOCC1CCNC1 34a_100000748654_100010004213 [0,1,0,1,0,0|2,0,0]=4 11168 B18R1.1160 COC(=O)CCCCCCCOCC1CCOC1 34a_100000740260_100010004213 [0,1,0,1,0,0|2,0,0]=4 11169 B18R1.1160 COC(=O)CCCCCCCOCC1CCOC1 34a_100011022521_100011261433 [0,1,0,1,0,0|2,0,0]=4 11170 B18R1.1160 COC(=O)CCCCCCCOCC1CCOC1 7a_100011022521_100000702531 [0,1,0,1,0,0|2,0,0]=4 11171 B18R1.1160 COC(=O)CCCCCCCOC[C@H]1CCCN1 34a_100000745186_100010004213 [0,1,0,1,0,0|2,0,0]=4 11172 B18R1.1160 COC(=O)CCCCCCCSCC1CCCC1 62a_100000740388_100010004213 [0,1,0,1,0,0|1,0,0]=3 11173 B18R1.1160 COC(=O)CCCCCCCSCC1CCCC1 62a_100010004213_100000740388 [0,1,0,1,0,0|1,0,0]=3 11174 B18R1.1160 COC(=O)CCCCCCCSCC1CCCO1 62a_100000203698_100010004213 [0,1,0,1,0,0|2,0,0]=4 11175 B18R1.1160 COC(=O)CCCCCCCSCC1CCCO1 62a_100010004213_100000203698 [0,1,0,1,0,0|2,0,0]=4 11176 B18R1.1160 COC(=O)CCCCCCCSCC1CCOC1 62a_100000702531_100010004213 [0,1,0,1,0,0|2,0,0]=4 11177 B18R1.1160 COC(=O)CCCCCCCSCC1CCOC1 62a_100010004213_100000702531 [0,1,0,1,0,0|2,0,0]=4 11178 B18R1.1160 COC(=O)CCCCCCNCCC1CCCC1 2230a_100000739158_100009815986 [0,1,0,1,0,0|1,0,0]=3 11179 B18R1.1160 COC(=O)CCCCCCNCCC1CCCC1 34a_100000739158_100009815986 [0,1,0,1,0,0|1,0,0]=3 11180 B18R1.1160 COC(=O)CCCCCCOCCC1CCCC1 34a_100000749090_100009815986 [0,1,0,1,0,0|1,0,0]=3 11181 B18R1.1160 COC(=O)CCCCCCOCCC1CCCC1 34a_100009863599_100000760354 [0,1,0,1,0,0|1,0,0]=3 11182 B18R1.1160 COC(=O)CCCCCCOCCC1CCCC1 7a_100000749090_100009815986 [0,1,0,1,0,0|1,0,0]=3 11183 B18R1.1160 COC(=O)CCCCCCOCCC1CCCC1 7a_100009863599_100000760354 [0,1,0,1,0,0|1,0,0]=3 11184 B18R1.1160 COC(=O)CCCCCCOCCC1CCNC1 34a_100016987287_100009815986 [0,1,0,1,0,0|2,0,0]=4 11185 B18R1.1160 COC(=O)CCCCCCOCCC1CCOC1 34a_100011879284_100009815986 [0,1,0,1,0,0|2,0,0]=4 11186 B18R1.1160 COC(=O)CCCCCCOCCN1CCCC1 7a_100009863599_100000004467 [0,1,0,1,0,0|2,0,0]=4 11187 B18R1.1160 COC(=O)CCCCCCSCCC1CCCC1 62a_100000760354_100009815986 [0,1,0,1,0,0|1,0,0]=3 11188 B18R1.1160 COC(=O)CCCCCCSCCC1CCCC1 62a_100009815986_100000760354 [0,1,0,1,0,0|1,0,0]=3 11189 B18R1.1160 COC(=O)CCCCCCSCCN1CCCC1 62a_100000700749_100009815986 [0,1,0,1,0,0|2,0,0]=4 11190 B18R1.1160 COC(=O)CCCCCCSCCN1CCCC1 62a_100009815986_100000004467 [0,1,0,1,0,0|2,0,0]=4 11191 B18R1.1160 COC(=O)CCCCCNCCCC1CCCC1 2230a_100000736752_100009816466 [0,1,0,1,0,0|1,0,0]=3 11192 B18R1.1160 COC(=O)CCCCCNCCCC1CCCC1 34a_100000736752_100009816466 [0,1,0,1,0,0|1,0,0]=3 11193 B18R1.1160 COC(=O)CCCCCNCCOC1CCCC1 34a_100000741755_100009816466 [0,1,0,1,0,0|2,0,0]=4 11194 B18R1.1160 COC(=O)CCCCCOCCCC1CCCC1 34a_100000074720_100011713738 [0,1,0,1,0,0|1,0,0]=3 11195 B18R1.1160 COC(=O)CCCCCOCCCC1CCCC1 34a_100011215328_100009816466 [0,1,0,1,0,0|1,0,0]=3 11196 B18R1.1160 COC(=O)CCCCCOCCCC1CCCC1 7a_100000074720_100011713738 [0,1,0,1,0,0|1,0,0]=3 11197 B18R1.1160 COC(=O)CCCCCOCCCC1CCCC1 7a_100011215328_100009816466 [0,1,0,1,0,0|1,0,0]=3 11198 B18R1.1160 COC(=O)CCCCCOCCCN1CCCC1 34a_100000074720_100016991639 [0,1,0,1,0,0|2,0,0]=4 11199 B18R1.1160 COC(=O)CCCCCOCCCN1CCCC1 7a_100000074720_100011445909 [0,1,0,1,0,0|2,0,0]=4 11200 B18R1.1160 COC(=O)CCCCCOCCNC1CCCC1 34a_200000200444_100009816466 [0,1,0,1,0,0|2,0,0]=4 11201 B18R1.1160 COC(=O)CCCCCOCCOC1CCCC1 34a_100000738311_100009816466 [0,1,0,1,0,0|2,0,0]=4 11202 B18R1.1160 COC(=O)CCCCCOCCOC1CCCC1 7a_100000738311_100009816466 [0,1,0,1,0,0|2,0,0]=4 11203 B18R1.1160 COC(=O)CCCCCSCCCC1CCCC1 62a_100009816466_100011713738 [0,1,0,1,0,0|1,0,0]=3 11204 B18R1.1160 COC(=O)CCCCCSCCCC1CCCC1 62a_100011713738_100009816466 [0,1,0,1,0,0|1,0,0]=3 11205 B18R1.1160 COC(=O)CCCCCSCCCN1CCCC1 62a_100009816466_100011445909 [0,1,0,1,0,0|2,0,0]=4 11206 B18R1.1160 COC(=O)CCCCCSCCCN1CCCC1 62a_100016991639_100009816466 [0,1,0,1,0,0|2,0,0]=4 11207 B18R1.1160 COC(=O)CCCCNCCCOC1CCCC1 34a_100000747560_100000204269 [0,1,0,1,0,0|2,0,0]=4 11208 B18R1.1160 O=C(CO)CCCCCCCCCC1OCCO1 1458a_100000210174_103619048131 [0,1,0,1,0,0|2,0,0]=4 11209 B18R1.1194 COC(=O)CCCCCCCN1CCCCC1C 2230a_100000211376_100010004213 [0,1,0,1,0,0|1,0,0]=3 11210 B18R1.1194 COC(=O)CCCCCCCN1CCCCC1C 269982a_100000211376_100010004213 [0,1,0,1,0,0|1,0,0]=3 11211 B18R1.1194 COC(=O)CCCCCCCN1CCCCC1C 34a_100000211376_100010004213 [0,1,0,1,0,0|1,0,0]=3 11212 B18R1.1194 COC(=O)CCCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100010004213 [0,1,0,1,0,0|2,0,0]=4 11213 B18R1.1194 COC(=O)CCCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100010004213 [0,1,0,1,0,0|2,0,0]=4 11214 B18R1.1194 COC(=O)CCCCCCCN1CCOC[C@@H]1C 34a_100009815349_100010004213 [0,1,0,1,0,0|2,0,0]=4 11215 B18R1.1194 COC(=O)CCCCCCNC1CCCCC1C 2230a_100000211402_100009815986 [0,1,0,1,0,0|1,0,0]=3 11216 B18R1.1194 COC(=O)CCCCCCNC1CCCCC1C 34a_100000211402_100009815986 [0,1,0,1,0,0|1,0,0]=3 11217 B18R1.1194 COC(=O)CCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009815986 [0,1,0,1,0,0|2,0,0]=4 11218 B18R1.1194 COC(=O)CCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009815986 [0,1,0,1,0,0|2,0,0]=4 11219 B18R1.1194 COC(=O)CCCCCCOC1CCCCC1C 34a_100000211207_100009815986 [0,1,0,1,0,0|1,0,0]=3 11220 B18R1.1194 COC(=O)CCCCCCOC1CCCCC1C 7a_100000211207_100009815986 [0,1,0,1,0,0|1,0,0]=3 11221 B18R1.1194 COC(=O)CCCCCCOC1CCCCC1Cl 34a_100000038908_100009815986 [0,1,0,1,0,0|2,0,0]=4 11222 B18R1.1194 COC(=O)CCCCCCOC1CCCCC1Cl 7a_100000038908_100009815986 [0,1,0,1,0,0|2,0,0]=4 11223 B18R1.1194 COC(=O)CCCCCCOC1CCCCC1F 34a_100009863599_100015423560 [0,1,0,1,0,0|2,0,0]=4 11224 B18R1.1194 COC(=O)CCCCCCOC1CCCCC1O 34a_100009863599_100000038908 [0,1,0,1,0,0|2,0,0]=4 11225 B18R1.1194 COC(=O)CCCCCCOC1CCNCC1C 34a_100011998114_100009815986 [0,1,0,1,0,0|2,0,0]=4 11226 B18R1.1194 COC(=O)CCCCCCOC1CNCCC1C 34a_100000696640_100009815986 [0,1,0,1,0,0|2,0,0]=4 11227 B18R1.1194 COC(=O)CCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009815986 [0,1,0,1,0,0|2,0,0]=4 11228 B18R1.1194 COC(=O)CCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009815986 [0,1,0,1,0,0|2,0,0]=4 11229 B18R1.1194 COC(=O)CCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009815986 [0,1,0,1,0,0|2,0,0]=4 11230 B18R1.1194 COC(=O)CCCCCCSC1CCCCC1F 62a_100009815986_100015423560 [0,1,0,1,0,0|2,0,0]=4 11231 B18R1.1194 COC(=O)CCCCCCSC1CCCCC1F 62a_100015423560_100009815986 [0,1,0,1,0,0|2,0,0]=4 11232 B18R1.1194 COC(=O)CCCCCCSC1CCCCC1O 62a_100000038908_100009815986 [0,1,0,1,0,0|2,0,0]=4 11233 B18R1.1194 COC(=O)CCCCCCSC1CCCCC1O 62a_100009815986_100000038908 [0,1,0,1,0,0|2,0,0]=4 11234 B18R1.1194 COC(=O)CCCCCNCC1CCCCC1O 34a_100011216029_100009816466 [0,1,0,1,0,0|2,0,0]=4 11235 B18R1.1194 COC(=O)CCCCCNCC1CCCCN1C 34a_100011228421_100009816466 [0,1,0,1,0,0|2,0,0]=4 11236 B18R1.1194 COC(=O)CCCCCOCC1CCCCN1C 34a_100000074720_100015186950 [0,1,0,1,0,0|2,0,0]=4 11237 B18R1.1194 COC(=O)CCCCCOCC1CCCCN1C 34a_100000225079_100009816466 [0,1,0,1,0,0|2,0,0]=4 11238 B18R1.1194 COC(=O)CCCCCOCC1CCCCN1C 7a_100000074720_100015185383 [0,1,0,1,0,0|2,0,0]=4 11239 B18R1.1194 COC(=O)CCCCCSCC1CCCCN1C 62a_100009816466_100015185383 [0,1,0,1,0,0|2,0,0]=4 11240 B18R1.1194 COC(=O)CCCCCSCC1CCCCN1C 62a_100015185383_100009816466 [0,1,0,1,0,0|2,0,0]=4 11241 B18R1.1194 COC(=O)CCCCNCCN1CCCCC1C 2230a_100000739827_100000204269 [0,1,0,1,0,0|2,0,0]=4 11242 B18R1.1194 COC(=O)CCCCNCCN1CCCCC1C 34a_100000739827_100000204269 [0,1,0,1,0,0|2,0,0]=4 11243 B18R1.1194 COC(=O)CCCCOCCC1CCCCN1C 34a_100000059025_100000211948 [0,1,0,1,0,0|2,0,0]=4 11244 B18R1.1194 COC(=O)CCCCOCCC1CCCCN1C 7a_100000059025_100000211948 [0,1,0,1,0,0|2,0,0]=4 11245 B18R1.1194 COC(=O)CCCCOCCN1CCCCC1C 34a_100011305533_100000204269 [0,1,0,1,0,0|2,0,0]=4 11246 B18R1.1194 COC(=O)CCCCSCCC1CCCCN1C 62a_100000204269_100000211948 [0,1,0,1,0,0|2,0,0]=4 11247 B18R1.1194 COC(=O)CCCCSCCC1CCCCN1C 62a_100000211948_100000204269 [0,1,0,1,0,0|2,0,0]=4 11248 B18R1.1194 COC(=O)CCCNCCCN1CCCCC1C 34a_100000212276_100000742333 [0,1,0,1,0,0|2,0,0]=4 11249 B18R1.1194 COC(=O)CCCOCCCN1CCCCC1C 34a_100000213889_100000742333 [0,1,0,1,0,0|2,0,0]=4 11250 B18R1.1194 COC(=O)CCCOCCCN1CCCCC1C 7a_100000213889_100011218270 [0,1,0,1,0,0|2,0,0]=4 11251 B18R1.1224 CNC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100000741757 [0,1,0,1,0,0|2,0,0]=4 11252 B18R1.1224 CNC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100000741757 [0,1,0,1,0,0|2,0,0]=4 11253 B18R1.1224 COC(=O)CCCCCCCCN1CCCOC1 2230a_100000131196_100010282707 [0,1,0,1,0,0|2,0,0]=4 11254 B18R1.1224 COC(=O)CCCCCCCCN1CCCOC1 269982a_100000131196_100010282707 [0,1,0,1,0,0|2,0,0]=4 11255 B18R1.1224 COC(=O)CCCCCCCCN1CCCOC1 34a_100000131196_100010282707 [0,1,0,1,0,0|2,0,0]=4 11256 B18R1.1224 COC(=O)CCCCCCCCN1CCOCC1 2230a_100015191051_100010282707 [0,1,0,1,0,0|2,0,0]=4 11257 B18R1.1224 COC(=O)CCCCCCCCN1CCOCC1 269982a_100015191051_100010282707 [0,1,0,1,0,0|2,0,0]=4 11258 B18R1.1224 COC(=O)CCCCCCCCN1CCOCC1 34a_100015191051_100010282707 [0,1,0,1,0,0|2,0,0]=4 11259 B18R1.1224 COC(=O)CCCCCCCCN1CCSCC1 2230a_100000737611_100010282707 [0,1,0,1,0,0|2,0,0]=4 11260 B18R1.1224 COC(=O)CCCCCCCCN1CCSCC1 269982a_100000737611_100010282707 [0,1,0,1,0,0|2,0,0]=4 11261 B18R1.1224 COC(=O)CCCCCCCNC1CCCCC1 2230a_100000182618_100010004213 [0,1,0,1,0,0|1,0,0]=3 11262 B18R1.1224 COC(=O)CCCCCCCNC1CCCCC1 34a_100000182618_100010004213 [0,1,0,1,0,0|1,0,0]=3 11263 B18R1.1224 COC(=O)CCCCCCCNC1CCCOC1 2230a_100000719290_100010004213 [0,1,0,1,0,0|2,0,0]=4 11264 B18R1.1224 COC(=O)CCCCCCCNC1CCCOC1 34a_100000719290_100010004213 [0,1,0,1,0,0|2,0,0]=4 11265 B18R1.1224 COC(=O)CCCCCCCNC1CCOCC1 2230a_100000741149_100010004213 [0,1,0,1,0,0|2,0,0]=4 11266 B18R1.1224 COC(=O)CCCCCCCNC1CCOCC1 34a_100000741149_100010004213 [0,1,0,1,0,0|2,0,0]=4 11267 B18R1.1224 COC(=O)CCCCCCCNC1CCSCC1 2230a_100000748639_100010004213 [0,1,0,1,0,0|2,0,0]=4 11268 B18R1.1224 COC(=O)CCCCCCCNC1CCSCC1 34a_100000748639_100010004213 [0,1,0,1,0,0|2,0,0]=4 11269 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 34a_100000210231_100010004213 [0,1,0,1,0,0|1,0,0]=3 11270 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 34a_100011022521_100000210327 [0,1,0,1,0,0|1,0,0]=3 11271 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 7a_100000210231_100010004213 [0,1,0,1,0,0|1,0,0]=3 11272 B18R1.1224 COC(=O)CCCCCCCOC1CCCCC1 7a_100011022521_100000210327 [0,1,0,1,0,0|1,0,0]=3 11273 B18R1.1224 COC(=O)CCCCCCCOC1CCCCO1 34a_100000033831_100010004213 [0,1,0,1,0,0|2,0,0]=4 11274 B18R1.1224 COC(=O)CCCCCCCOC1CCCOC1 34a_100000754041_100010004213 [0,1,0,1,0,0|2,0,0]=4 11275 B18R1.1224 COC(=O)CCCCCCCOC1CCCOC1 34a_100011022521_100000693364 [0,1,0,1,0,0|2,0,0]=4 11276 B18R1.1224 COC(=O)CCCCCCCOC1CCCOC1 7a_100011022521_100000693364 [0,1,0,1,0,0|2,0,0]=4 11277 B18R1.1224 COC(=O)CCCCCCCOC1CCCSC1 7a_100015962668_100010004213 [0,1,0,1,0,0|2,0,0]=4 11278 B18R1.1224 COC(=O)CCCCCCCOC1CCOCC1 34a_100000744328_100010004213 [0,1,0,1,0,0|2,0,0]=4 11279 B18R1.1224 COC(=O)CCCCCCCOC1CCOCC1 7a_100011022521_100000686592 [0,1,0,1,0,0|2,0,0]=4 11280 B18R1.1224 COC(=O)CCCCCCCOC1CCSCC1 34a_100000731022_100010004213 [0,1,0,1,0,0|2,0,0]=4 11281 B18R1.1224 COC(=O)CCCCCCCOC1CCSCC1 34a_100011022521_100000069128 [0,1,0,1,0,0|2,0,0]=4 11282 B18R1.1224 COC(=O)CCCCCCCOC1CCSCC1 7a_100000731022_100010004213 [0,1,0,1,0,0|2,0,0]=4 11283 B18R1.1224 COC(=O)CCCCCCCOC1CCSCC1 7a_100011022521_100011500858 [0,1,0,1,0,0|2,0,0]=4 11284 B18R1.1224 COC(=O)CCCCCCCSC1CCCCC1 62a_100000210327_100010004213 [0,1,0,1,0,0|1,0,0]=3 11285 B18R1.1224 COC(=O)CCCCCCCSC1CCCCC1 62a_100010004213_100000210327 [0,1,0,1,0,0|1,0,0]=3 11286 B18R1.1224 COC(=O)CCCCCCCSC1CCCOC1 62a_100010004213_100000693364 [0,1,0,1,0,0|2,0,0]=4 11287 B18R1.1224 COC(=O)CCCCCCCSC1CCOCC1 62a_100010004213_100011324220 [0,1,0,1,0,0|2,0,0]=4 11288 B18R1.1224 COC(=O)CCCCCCCSC1CCSCC1 62a_100010004213_100000069128 [0,1,0,1,0,0|2,0,0]=4 11289 B18R1.1224 COC(=O)CCCCCCNCC1CCCCC1 2230a_100000210473_100009815986 [0,1,0,1,0,0|1,0,0]=3 11290 B18R1.1224 COC(=O)CCCCCCNCC1CCCCC1 34a_100000210473_100009815986 [0,1,0,1,0,0|1,0,0]=3 11291 B18R1.1224 COC(=O)CCCCCCNCC1CCCCO1 2230a_100000174945_100009815986 [0,1,0,1,0,0|2,0,0]=4 11292 B18R1.1224 COC(=O)CCCCCCNCC1CCCCO1 34a_100000174945_100009815986 [0,1,0,1,0,0|2,0,0]=4 11293 B18R1.1224 COC(=O)CCCCCCNCC1CCCOC1 2230a_100000720124_100009815986 [0,1,0,1,0,0|2,0,0]=4 11294 B18R1.1224 COC(=O)CCCCCCNCC1CCCOC1 34a_100000720124_100009815986 [0,1,0,1,0,0|2,0,0]=4 11295 B18R1.1224 COC(=O)CCCCCCNCC1CCOCC1 2230a_100000746373_100009815986 [0,1,0,1,0,0|2,0,0]=4 11296 B18R1.1224 COC(=O)CCCCCCNCC1CCOCC1 34a_100000746373_100009815986 [0,1,0,1,0,0|2,0,0]=4 11297 B18R1.1224 COC(=O)CCCCCCNCC1CCSCC1 2230a_100015188806_100009815986 [0,1,0,1,0,0|2,0,0]=4 11298 B18R1.1224 COC(=O)CCCCCCNCC1CCSCC1 34a_100015188806_100009815986 [0,1,0,1,0,0|2,0,0]=4 11299 B18R1.1224 COC(=O)CCCCCCOCC1CCCCC1 34a_100000212181_100009815986 [0,1,0,1,0,0|1,0,0]=3 11300 B18R1.1224 COC(=O)CCCCCCOCC1CCCCC1 34a_100009863599_100000211423 [0,1,0,1,0,0|1,0,0]=3 11301 B18R1.1224 COC(=O)CCCCCCOCC1CCCCC1 7a_100000212181_100009815986 [0,1,0,1,0,0|1,0,0]=3 11302 B18R1.1224 COC(=O)CCCCCCOCC1CCCCC1 7a_100009863599_100000211423 [0,1,0,1,0,0|1,0,0]=3 11303 B18R1.1224 COC(=O)CCCCCCOCC1CCCCN1 34a_100000210821_100009815986 [0,1,0,1,0,0|2,0,0]=4 11304 B18R1.1224 COC(=O)CCCCCCOCC1CCCCO1 34a_100000211370_100009815986 [0,1,0,1,0,0|2,0,0]=4 11305 B18R1.1224 COC(=O)CCCCCCOCC1CCCCO1 34a_100009863599_100000211543 [0,1,0,1,0,0|2,0,0]=4 11306 B18R1.1224 COC(=O)CCCCCCOCC1CCCCO1 7a_100000211370_100009815986 [0,1,0,1,0,0|2,0,0]=4 11307 B18R1.1224 COC(=O)CCCCCCOCC1CCCCO1 7a_100009863599_100000211543 [0,1,0,1,0,0|2,0,0]=4 11308 B18R1.1224 COC(=O)CCCCCCOCC1CCCNC1 34a_100000211344_100009815986 [0,1,0,1,0,0|2,0,0]=4 11309 B18R1.1224 COC(=O)CCCCCCOCC1CCCOC1 34a_100000741520_100009815986 [0,1,0,1,0,0|2,0,0]=4 11310 B18R1.1224 COC(=O)CCCCCCOCC1CCCOC1 34a_100009863599_100000741521 [0,1,0,1,0,0|2,0,0]=4 11311 B18R1.1224 COC(=O)CCCCCCOCC1CCCOC1 7a_100009863599_100000741521 [0,1,0,1,0,0|2,0,0]=4 11312 B18R1.1224 COC(=O)CCCCCCOCC1CCNCC1 34a_100000738675_100009815986 [0,1,0,1,0,0|2,0,0]=4 11313 B18R1.1224 COC(=O)CCCCCCOCC1CCOCC1 34a_100000749013_100009815986 [0,1,0,1,0,0|2,0,0]=4 11314 B18R1.1224 COC(=O)CCCCCCOCC1CCOCC1 34a_100009863599_100000754603 [0,1,0,1,0,0|2,0,0]=4 11315 B18R1.1224 COC(=O)CCCCCCOCC1CCOCC1 7a_100009863599_100000754603 [0,1,0,1,0,0|2,0,0]=4 11316 B18R1.1224 COC(=O)CCCCCCOCC1CCSCC1 34a_100000070558_100009815986 [0,1,0,1,0,0|2,0,0]=4 11317 B18R1.1224 COC(=O)CCCCCCOCC1CCSCC1 7a_100000070558_100009815986 [0,1,0,1,0,0|2,0,0]=4 11318 B18R1.1224 COC(=O)CCCCCCSCC1CCCCC1 62a_100000211423_100009815986 [0,1,0,1,0,0|1,0,0]=3 11319 B18R1.1224 COC(=O)CCCCCCSCC1CCCCC1 62a_100009815986_100000211423 [0,1,0,1,0,0|1,0,0]=3 11320 B18R1.1224 COC(=O)CCCCCCSCC1CCCCO1 62a_100000211543_100009815986 [0,1,0,1,0,0|2,0,0]=4 11321 B18R1.1224 COC(=O)CCCCCCSCC1CCCCO1 62a_100009815986_100000211543 [0,1,0,1,0,0|2,0,0]=4 11322 B18R1.1224 COC(=O)CCCCCCSCC1CCCOC1 62a_100000741521_100009815986 [0,1,0,1,0,0|2,0,0]=4 11323 B18R1.1224 COC(=O)CCCCCCSCC1CCCOC1 62a_100009815986_100000741521 [0,1,0,1,0,0|2,0,0]=4 11324 B18R1.1224 COC(=O)CCCCCCSCC1CCOCC1 62a_100000754603_100009815986 [0,1,0,1,0,0|2,0,0]=4 11325 B18R1.1224 COC(=O)CCCCCCSCC1CCOCC1 62a_100009815986_100000749018 [0,1,0,1,0,0|2,0,0]=4 11326 B18R1.1224 COC(=O)CCCCCNCCC1CCCCC1 2230a_100000738074_100009816466 [0,1,0,1,0,0|1,0,0]=3 11327 B18R1.1224 COC(=O)CCCCCNCCC1CCCCC1 34a_100000738074_100009816466 [0,1,0,1,0,0|1,0,0]=3 11328 B18R1.1224 COC(=O)CCCCCNCCC1CCCCO1 2230a_100015183643_100009816466 [0,1,0,1,0,0|2,0,0]=4 11329 B18R1.1224 COC(=O)CCCCCNCCC1CCCCO1 34a_100015183643_100009816466 [0,1,0,1,0,0|2,0,0]=4 11330 B18R1.1224 COC(=O)CCCCCNCCC1CCOCC1 2230a_100000755988_100009816466 [0,1,0,1,0,0|2,0,0]=4 11331 B18R1.1224 COC(=O)CCCCCNCCC1CCOCC1 34a_100000755988_100009816466 [0,1,0,1,0,0|2,0,0]=4 11332 B18R1.1224 COC(=O)CCCCCOCCC1CCCCC1 34a_100000074720_100011209188 [0,1,0,1,0,0|1,0,0]=3 11333 B18R1.1224 COC(=O)CCCCCOCCC1CCCCC1 34a_100011217863_100009816466 [0,1,0,1,0,0|1,0,0]=3 11334 B18R1.1224 COC(=O)CCCCCOCCC1CCCCC1 7a_100000074720_100011273959 [0,1,0,1,0,0|1,0,0]=3 11335 B18R1.1224 COC(=O)CCCCCOCCC1CCCCC1 7a_100011217863_100009816466 [0,1,0,1,0,0|1,0,0]=3 11336 B18R1.1224 COC(=O)CCCCCOCCC1CCCCN1 34a_100000211664_100009816466 [0,1,0,1,0,0|2,0,0]=4 11337 B18R1.1224 COC(=O)CCCCCOCCC1CCCNC1 34a_100000752241_100009816466 [0,1,0,1,0,0|2,0,0]=4 11338 B18R1.1224 COC(=O)CCCCCOCCC1CCNCC1 34a_100015190746_100009816466 [0,1,0,1,0,0|2,0,0]=4 11339 B18R1.1224 COC(=O)CCCCCOCCC1CCOCC1 34a_100000074720_100011934994 [0,1,0,1,0,0|2,0,0]=4 11340 B18R1.1224 COC(=O)CCCCCOCCC1CCOCC1 34a_100011933979_100009816466 [0,1,0,1,0,0|2,0,0]=4 11341 B18R1.1224 COC(=O)CCCCCOCCC1CCOCC1 7a_100000074720_100011934994 [0,1,0,1,0,0|2,0,0]=4 11342 B18R1.1224 COC(=O)CCCCCOCCC1CCOCC1 7a_100011933979_100009816466 [0,1,0,1,0,0|2,0,0]=4 11343 B18R1.1224 COC(=O)CCCCCOCCN1CCCCC1 34a_100000074720_100000739454 [0,1,0,1,0,0|2,0,0]=4 11344 B18R1.1224 COC(=O)CCCCCOCCN1CCCCC1 7a_100000074720_100000739454 [0,1,0,1,0,0|2,0,0]=4 11345 B18R1.1224 COC(=O)CCCCCOCOC1CCCCC1 34a_100000074720_100011935260 [0,1,0,1,0,0|2,0,0]=4 11346 B18R1.1224 COC(=O)CCCCCOCOC1CCCCC1 7a_100000074720_100011935260 [0,1,0,1,0,0|2,0,0]=4 11347 B18R1.1224 COC(=O)CCCCCSCCC1CCCCC1 62a_100009816466_100012355289 [0,1,0,1,0,0|1,0,0]=3 11348 B18R1.1224 COC(=O)CCCCCSCCC1CCCCC1 62a_100012355289_100009816466 [0,1,0,1,0,0|1,0,0]=3 11349 B18R1.1224 COC(=O)CCCCCSCCC1CCOCC1 62a_100009816466_100011934994 [0,1,0,1,0,0|2,0,0]=4 11350 B18R1.1224 COC(=O)CCCCCSCCC1CCOCC1 62a_100011934994_100009816466 [0,1,0,1,0,0|2,0,0]=4 11351 B18R1.1224 COC(=O)CCCCCSCCN1CCCCC1 62a_100000739454_100009816466 [0,1,0,1,0,0|2,0,0]=4 11352 B18R1.1224 COC(=O)CCCCCSCCN1CCCCC1 62a_100009816466_100000739454 [0,1,0,1,0,0|2,0,0]=4 11353 B18R1.1224 COC(=O)CCCCCSCOC1CCCCC1 62a_100009816466_100011935260 [0,1,0,1,0,0|2,0,0]=4 11354 B18R1.1224 COC(=O)CCCCCSCOC1CCCCC1 62a_100011935260_100009816466 [0,1,0,1,0,0|2,0,0]=4 11355 B18R1.1224 COC(=O)CCCCNCCCC1CCCCC1 2230a_100011211642_100000204269 [0,1,0,1,0,0|1,0,0]=3 11356 B18R1.1224 COC(=O)CCCCNCCCC1CCCCC1 34a_100011211642_100000204269 [0,1,0,1,0,0|1,0,0]=3 11357 B18R1.1224 COC(=O)CCCCNCCOC1CCCCC1 34a_100015206981_100000204269 [0,1,0,1,0,0|2,0,0]=4 11358 B18R1.1224 COC(=O)CCCCOCCCC1CCCCC1 34a_100000059025_100011713725 [0,1,0,1,0,0|1,0,0]=3 11359 B18R1.1224 COC(=O)CCCCOCCCC1CCCCC1 34a_100000198086_100000204269 [0,1,0,1,0,0|1,0,0]=3 11360 B18R1.1224 COC(=O)CCCCOCCCC1CCCCC1 7a_100000059025_100011713725 [0,1,0,1,0,0|1,0,0]=3 11361 B18R1.1224 COC(=O)CCCCOCCCC1CCCCC1 7a_100000198086_100000204269 [0,1,0,1,0,0|1,0,0]=3 11362 B18R1.1224 COC(=O)CCCCOCCCC1CCCCN1 34a_100011934581_100000204269 [0,1,0,1,0,0|2,0,0]=4 11363 B18R1.1224 COC(=O)CCCCOCCCC1CCCNC1 34a_100150707839_100000204269 [0,1,0,1,0,0|2,0,0]=4 11364 B18R1.1224 COC(=O)CCCCOCCCC1CCNCC1 34a_100016988962_100000204269 [0,1,0,1,0,0|2,0,0]=4 11365 B18R1.1224 COC(=O)CCCCOCCCN1CCCCC1 34a_100000059025_100000690320 [0,1,0,1,0,0|2,0,0]=4 11366 B18R1.1224 COC(=O)CCCCOCCCN1CCCCC1 34a_100000212458_100000204269 [0,1,0,1,0,0|2,0,0]=4 11367 B18R1.1224 COC(=O)CCCCOCCCN1CCCCC1 7a_100000059025_100000007876 [0,1,0,1,0,0|2,0,0]=4 11368 B18R1.1224 COC(=O)CCCCOCCNC1CCCCC1 34a_100000200466_100000204269 [0,1,0,1,0,0|2,0,0]=4 11369 B18R1.1224 COC(=O)CCCCOCCOC1CCCCC1 34a_100000059025_100011211530 [0,1,0,1,0,0|2,0,0]=4 11370 B18R1.1224 COC(=O)CCCCOCCOC1CCCCC1 34a_100011249652_100000204269 [0,1,0,1,0,0|2,0,0]=4 11371 B18R1.1224 COC(=O)CCCCOCCOC1CCCCC1 7a_100000059025_100011211530 [0,1,0,1,0,0|2,0,0]=4 11372 B18R1.1224 COC(=O)CCCCOCCOC1CCCCC1 7a_100011249652_100000204269 [0,1,0,1,0,0|2,0,0]=4 11373 B18R1.1224 COC(=O)CCCCSCCCC1CCCCC1 62a_100000204269_100011713725 [0,1,0,1,0,0|1,0,0]=3 11374 B18R1.1224 COC(=O)CCCCSCCCC1CCCCC1 62a_100011713725_100000204269 [0,1,0,1,0,0|1,0,0]=3 11375 B18R1.1224 COC(=O)CCCCSCCCN1CCCCC1 62a_100000204269_100000007876 [0,1,0,1,0,0|2,0,0]=4 11376 B18R1.1224 COC(=O)CCCCSCCCN1CCCCC1 62a_100132302099_100000204269 [0,1,0,1,0,0|2,0,0]=4 11377 B18R1.1224 COC(=O)CCCCSCCOC1CCCCC1 62a_100000204269_100011211530 [0,1,0,1,0,0|2,0,0]=4 11378 B18R1.1224 COC(=O)CCCCSCCOC1CCCCC1 62a_100011211530_100000204269 [0,1,0,1,0,0|2,0,0]=4 11379 B18R1.1224 COC(=O)CCCNCCCOC1CCCCC1 34a_100000205933_100000742333 [0,1,0,1,0,0|2,0,0]=4 11380 B18R1.1224 COC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100000742333 [0,1,0,1,0,0|1,0,0]=3 11381 B18R1.1224 COC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100011218270 [0,1,0,1,0,0|1,0,0]=3 11382 B18R1.1224 COC(=O)CCCOCCCCC1CCNCC1 34a_100016989291_100000742333 [0,1,0,1,0,0|2,0,0]=4 11383 B18R1.1224 COC(=O)CCOCCCCCN1CCCCC1 34a_100011216611_100000742370 [0,1,0,1,0,0|2,0,0]=4 11384 B18R1.1224 COC(=O)CCOCCCCCN1CCCCC1 7a_100011216611_100000204255 [0,1,0,1,0,0|2,0,0]=4 11385 B18R1.1224 COC(=O)COCCNCCCC1CCCCC1 2230a_100011211642_100000090808 [0,1,0,1,0,0|2,0,0]=4 11386 B18R1.1224 COC(=O)COCCNCCCC1CCCCC1 34a_100011211642_100000090808 [0,1,0,1,0,0|2,0,0]=4 11387 B18R1.1224 COC(=O)COCCOCCCC1CCCCC1 34a_100000198086_100000090808 [0,1,0,1,0,0|2,0,0]=4 11388 B18R1.1224 COC(=O)COCCOCCCC1CCCCC1 7a_100000198086_100000090808 [0,1,0,1,0,0|2,0,0]=4 11389 B18R1.1224 COC(=O)COCCSCCCC1CCCCC1 62a_100000090808_100011713725 [0,1,0,1,0,0|2,0,0]=4 11390 B18R1.1224 COC(=O)COCCSCCCC1CCCCC1 62a_100011713725_100000090808 [0,1,0,1,0,0|2,0,0]=4 11391 B18R1.1314 COCCCC1CCCCN1CCCC(=O)OC 2230a_100011804088_100011218270 [0,1,0,1,0,0|2,0,0]=4 11392 B18R1.1314 COCCCC1CCCCN1CCCC(=O)OC 269982a_100011804088_100011218270 [0,1,0,1,0,0|2,0,0]=4 11393 B18R1.1314 COCCCC1CCCCN1CCCC(=O)OC 34a_100011804088_100000742333 [0,1,0,1,0,0|2,0,0]=4 11394 B18R1.4121 CCCCCCCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210681 [0,1,0,1,0,0|2,0,0]=4 11395 B18R1.4121 CCCCCCCN1CCOCC1CC(=O)OC 34a_100000731486_100000210614 [0,1,0,1,0,0|2,0,0]=4 11396 B18R1.4934 CCCC1CCCCC1OCCCCC(=O)OC 34a_100011217265_100000204269 [0,1,0,1,0,0|1,0,0]=3 11397 B18R1.4934 CCCC1CCCCC1OCCCCC(=O)OC 7a_100011217265_100000204269 [0,1,0,1,0,0|1,0,0]=3 11398 B18R1.4934 CCCC1CCCCC1OCCOCC(=O)OC 34a_100011217265_100000090808 [0,1,0,1,0,0|2,0,0]=4 11399 B18R1.4934 CCCC1CCCCC1OCCOCC(=O)OC 7a_100011217265_100000090808 [0,1,0,1,0,0|2,0,0]=4 11400 B18R1.4934 CCCC1CCCCN1CCCCCC(=O)OC 2230a_100000701414_100009816466 [0,1,0,1,0,0|1,0,0]=3 11401 B18R1.4934 CCCC1CCCCN1CCCCCC(=O)OC 269982a_100000701414_100009816466 [0,1,0,1,0,0|1,0,0]=3 11402 B18R1.4934 CCCC1CCCCN1CCCCCC(=O)OC 34a_100000701414_100009816466 [0,1,0,1,0,0|1,0,0]=3 11403 B18R1.4934 CCCC1COCCN1CCCCCC(=O)OC 2230a_102495339903_100009816466 [0,1,0,1,0,0|2,0,0]=4 11404 B18R1.4934 CCCC1COCCN1CCCCCC(=O)OC 269982a_102495339903_100009816466 [0,1,0,1,0,0|2,0,0]=4 11405 B18R1.4934 CCCC1COCCN1CCCCCC(=O)OC 34a_102495339903_100009816466 [0,1,0,1,0,0|2,0,0]=4 11406 B18R1.4934 COC(=O)CCCCCN1CCCCC1CCO 2230a_100000211664_100009816466 [0,1,0,1,0,0|2,0,0]=4 11407 B18R1.4934 COC(=O)CCCCCN1CCCCC1CCO 269982a_100000211664_100009816466 [0,1,0,1,0,0|2,0,0]=4 11408 B18R1.4934 COC(=O)CCCCCN1CCCCC1CCO 34a_100000211664_100009816466 [0,1,0,1,0,0|2,0,0]=4 11409 B18R1.4934 COCC1CCCCN1CCCCCC(=O)OC 2230a_100015184032_100009816466 [0,1,0,1,0,0|2,0,0]=4 11410 B18R1.4934 COCC1CCCCN1CCCCCC(=O)OC 269982a_100015184032_100009816466 [0,1,0,1,0,0|2,0,0]=4 11411 B18R1.4934 COCC1CCCCN1CCCCCC(=O)OC 34a_100015184032_100009816466 [0,1,0,1,0,0|2,0,0]=4 11412 B18R1.5445 CCCCCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100011214924 [0,1,0,1,0,0|2,0,0]=4 11413 B18R1.5445 CCCCCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210670 [0,1,0,1,0,0|2,0,0]=4 11414 B18R1.5445 CCCCCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100011214924 [0,1,0,1,0,0|2,0,0]=4 11415 B18R1.5445 CCCCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011214924 [0,1,0,1,0,0|1,0,0]=3 11416 B18R1.5445 CCCCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210670 [0,1,0,1,0,0|1,0,0]=3 11417 B18R1.5445 CCCCCCCCCN1CCSC1C(=O)OC 2230a_100015296106_100011214924 [0,1,0,1,0,0|2,0,0]=4 11418 B18R1.5445 CCCCCCCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210670 [0,1,0,1,0,0|2,0,0]=4 11419 B18R1.5445 CCCCCCCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210670 [0,1,0,1,0,0|2,0,0]=4 11420 B18R1.5445 CCCCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210759 [0,1,0,1,0,0|1,0,0]=3 11421 B18R1.5445 CCCCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210759 [0,1,0,1,0,0|1,0,0]=3 11422 B18R1.5445 COC(=O)C1CCCC1OCCCCCCCO 34a_200000081814_100000760002 [0,1,0,1,0,0|2,0,0]=4 11423 B18R1.5445 COC(=O)C1CCCC1OCCCCCCCO 7a_200000081814_100000760002 [0,1,0,1,0,0|2,0,0]=4 11424 B18R1.5445 COC(=O)[C@@H]1CCCN1CCCCCCCCO 2230a_100000752040_100000033203 [0,1,0,1,0,0|2,0,0]=4 11425 B18R1.5445 COC(=O)[C@@H]1CCCN1CCCCCCCCO 269982a_100000752040_100000033203 [0,1,0,1,0,0|2,0,0]=4 11426 B18R1.5445 COCCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100011998445 [0,1,0,1,0,0|2,0,0]=4 11427 B18R1.5445 COCCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100011998445 [0,1,0,1,0,0|2,0,0]=4 11428 B18R1.7654 CCC1CCCN1CCCCCCCC(=O)OC 2230a_100000754278_100010004213 [0,1,0,1,0,0|1,0,0]=3 11429 B18R1.7654 CCC1CCCN1CCCCCCCC(=O)OC 269982a_100000754278_100010004213 [0,1,0,1,0,0|1,0,0]=3 11430 B18R1.7654 CCC1CCCN1CCCCCCCC(=O)OC 34a_100000754278_100010004213 [0,1,0,1,0,0|1,0,0]=3 11431 B18R1.7654 CCN1CCCC1CNCCCCCC(=O)OC 2230a_100000211693_100009816466 [0,1,0,1,0,0|2,0,0]=4 11432 B18R1.7654 CCN1CCC[C@@H]1COCCCCCC(=O)OC 34a_100011739246_100009816466 [0,1,0,1,0,0|2,0,0]=4 11433 B18R1.7654 CCN1CCC[C@@H]1COCCCCCC(=O)OC 7a_100011739246_100009816466 [0,1,0,1,0,0|2,0,0]=4 11434 B18R1.7654 COC(=O)CCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100010004213 [0,1,0,1,0,0|2,0,0]=4 11435 B18R1.7654 COC(=O)CCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100010004213 [0,1,0,1,0,0|2,0,0]=4 11436 B18R1.7654 COC(=O)CCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100010004213 [0,1,0,1,0,0|2,0,0]=4 11437 B18R1.8761 CCCCCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210759 [0,1,0,1,0,0|2,0,0]=4 11438 B18R1.8761 CCCCCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210759 [0,1,0,1,0,0|2,0,0]=4 11439 B18R1.8761 CCCCCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000210759 [0,1,0,1,0,0|2,0,0]=4 11440 B18R1.8761 CCCCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210759 [0,1,0,1,0,0|1,0,0]=3 11441 B18R1.8761 CCCCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210759 [0,1,0,1,0,0|1,0,0]=3 11442 B18R1.8761 CCCCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210759 [0,1,0,1,0,0|1,0,0]=3 11443 B18R1.8761 CCCCCCCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210759 [0,1,0,1,0,0|2,0,0]=4 11444 B18R1.8761 CCCCCCCCN1CCOCC1C(=O)OC 34a_100000765174_100000210759 [0,1,0,1,0,0|2,0,0]=4 11445 B18R1.8761 CCCCCCCOC1CCNCC1C(=O)OC 34a_200103168510_100000210614 [0,1,0,1,0,0|2,0,0]=4 11446 B18R1.8761 CCCCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210614 [0,1,0,1,0,0|1,0,0]=3 11447 B18R1.8761 CCCCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210614 [0,1,0,1,0,0|1,0,0]=3 11448 B18R1.8761 CCCCOCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000743108 [0,1,0,1,0,0|2,0,0]=4 11449 B18R1.8761 CCCCOCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000743108 [0,1,0,1,0,0|2,0,0]=4 11450 B18R1.8761 COC(=O)C1CCCCN1CCCCCCCO 2230a_100000734855_100000760002 [0,1,0,1,0,0|2,0,0]=4 11451 B18R1.8761 COC(=O)C1CCCCN1CCCCCCCO 269982a_100000734855_100000760002 [0,1,0,1,0,0|2,0,0]=4 11452 B18R1.8761 COC(=O)C1CCCCN1CCCCCCCO 34a_100000734855_100000760002 [0,1,0,1,0,0|2,0,0]=4 11453 B18R1.8761 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCCF 34a_100015709673_100015922095 [0,1,0,1,0,0|2,0,0]=4 11454 B18R1.8761 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCCF 7a_100015709673_100015922095 [0,1,0,1,0,0|2,0,0]=4 11455 B18R1.8761 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCCO 34a_100015709673_100000766143 [0,1,0,1,0,0|2,0,0]=4 11456 B18R1.8761 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCCO 7a_100015709673_100000766143 [0,1,0,1,0,0|2,0,0]=4 11457 B18R1.8761 COCCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100011998445 [0,1,0,1,0,0|2,0,0]=4 11458 B18R1.8761 COCCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100011998445 [0,1,0,1,0,0|2,0,0]=4 11459 B18R1.8761 COCCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100011998445 [0,1,0,1,0,0|2,0,0]=4 11460 B18R1.8771 CCCCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210759 [0,1,0,1,0,0|1,0,0]=3 11461 B18R1.8771 CCCCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210759 [0,1,0,1,0,0|1,0,0]=3 11462 B18R1.8771 CCCCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210759 [0,1,0,1,0,0|1,0,0]=3 11463 B18R1.8771 COC(=O)C[C@H]1CCCN1CCCCCCCO 2230a_100025726698_100000760002 [0,1,0,1,0,0|2,0,0]=4 11464 B18R1.8771 COC(=O)C[C@H]1CCCN1CCCCCCCO 269982a_100025726698_100000760002 [0,1,0,1,0,0|2,0,0]=4 11465 B18R1.8771 COC(=O)C[C@H]1CCCN1CCCCCCCO 34a_100025726698_100000760002 [0,1,0,1,0,0|2,0,0]=4 11466 B18R1.8771 COCCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011998445 [0,1,0,1,0,0|2,0,0]=4 11467 B18R1.8771 COCCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100011998445 [0,1,0,1,0,0|2,0,0]=4 11468 B18R1.8771 COCCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100011998445 [0,1,0,1,0,0|2,0,0]=4 11469 B18R1.13159 CCCCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011215454 [0,1,0,1,0,0|1,0,0]=3 11470 B18R1.13159 COC(=O)C1CN1CCCCCCCCCCO 2230a_200009830135_100009813290 [0,1,0,1,0,0|2,0,0]=4 11471 B18R1.14113 CCCN1CCCC1COCCCCC(=O)OC 34a_200000694710_100000204269 [0,1,0,1,0,0|2,0,0]=4 11472 B18R1.14113 CCCN1CCCC1COCCCCC(=O)OC 7a_200000694710_100000204269 [0,1,0,1,0,0|2,0,0]=4 11473 B18R1.14113 COC[C@@H]1CCCN1CCCCCCC(=O)OC 2230a_100020646714_100009815986 [0,1,0,1,0,0|2,0,0]=4 11474 B18R1.14113 COC[C@@H]1CCCN1CCCCCCC(=O)OC 269982a_100020646714_100009815986 [0,1,0,1,0,0|2,0,0]=4 11475 B18R1.14113 COC[C@@H]1CCCN1CCCCCCC(=O)OC 34a_100020646714_100009815986 [0,1,0,1,0,0|2,0,0]=4 11476 B18R1.14470 COCC1CCN1CCCCCCCC(=O)OC 2230a_100015195929_100010004213 [0,1,0,1,0,0|2,0,0]=4 11477 B18R1.14470 COCC1CCN1CCCCCCCC(=O)OC 269982a_100015195929_100010004213 [0,1,0,1,0,0|2,0,0]=4 11478 B18R1.14470 COCC1CCN1CCCCCCCC(=O)OC 34a_100015195929_100010004213 [0,1,0,1,0,0|2,0,0]=4 11479 B18R1.21926 CCCCCCCCCCCCNC1CCC1=O 34a_100000210451_100009892977 [0,1,0,1,0,0|2,0,0]=4 11480 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 34a_100000210810_100009892977 [0,1,0,1,0,0|2,0,0]=4 11481 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 7a_100000210810_100009892977 [0,1,0,1,0,0|2,0,0]=4 11482 B18R1.21926 CCCCCCCCCCCCSC1CCC1=O 62a_100009892977_100000759014 [0,1,0,1,0,0|2,0,0]=4 11483 B18R1.21926 CCCCCCCCCCNCCC1CCC1=O 2230a_100000684558_200016118888 [0,1,0,1,0,0|2,0,0]=4 11484 B18R1.21926 CCCCCCCCCCOCCC1CCC1=O 7a_100000210711_200016118888 [0,1,0,1,0,0|2,0,0]=4 11485 B18R1.21926 CCCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210320 [0,1,0,1,0,0|2,0,0]=4 11486 B18R1.21935 CCCCCC1CCCC1NCCCC(=O)NC 269862a_100000740002_200000198059 [0,1,0,1,0,0|2,0,0]=4 11487 B18R1.21935 CCCCCC1CCCC1NCCCC(=O)NC 270004a_100000740002_200000198059 [0,1,0,1,0,0|2,0,0]=4 11488 B18R1.33223 CCC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000747405 [0,1,0,1,0,0|2,0,0]=4 11489 B18R1.33223 CNC(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000183359 [0,1,0,1,0,0|2,0,0]=4 11490 B18R1.33223 CNC(=O)CNC1CCCCCCCCCCC1 270004a_100000693194_100000210130 [0,1,0,1,0,0|2,0,0]=4 11491 B18R1.33223 CNC(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000183359 [0,1,0,1,0,0|2,0,0]=4 11492 B18R1.33223 CNC(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000183359 [0,1,0,1,0,0|2,0,0]=4 11493 B18R1.33223 CNC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000183359 [0,1,0,1,0,0|2,0,0]=4 11494 B18R1.33223 COC(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000747449 [0,1,0,1,0,0|1,0,0]=3 11495 B18R1.33223 COC(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000747449 [0,1,0,1,0,0|1,0,0]=3 11496 B18R1.33223 COC(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000747449 [0,1,0,1,0,0|1,0,0]=3 11497 B18R1.33223 COC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000747449 [0,1,0,1,0,0|1,0,0]=3 11498 B18R1.33712 COC(=O)CCCCCN1CCCCCCCC1 2230a_100000039187_100009816466 [0,1,0,1,0,0|1,0,0]=3 11499 B18R1.33712 COC(=O)CCCCCN1CCCCCCCC1 269982a_100000039187_100009816466 [0,1,0,1,0,0|1,0,0]=3 11500 B18R1.33712 COC(=O)CCCCCN1CCCCCCCC1 34a_100000039187_100009816466 [0,1,0,1,0,0|1,0,0]=3 11501 B18R1.33918 COC(=O)CCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009813843 [0,1,0,1,0,0|2,0,0]=4 11502 B18R1.33918 COC(=O)CCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009813843 [0,1,0,1,0,0|2,0,0]=4 11503 B18R1.33918 COC(=O)CCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009813843 [0,1,0,1,0,0|2,0,0]=4 11504 B18R1.33918 COC(=O)CCCCCCCCOCC1CC1C 34a_100000744939_100010282707 [0,1,0,1,0,0|1,0,0]=3 11505 B18R1.33918 COC(=O)CCCCCCCCOCC1CC1C 7a_100000744939_100010282707 [0,1,0,1,0,0|1,0,0]=3 11506 B18R1.33919 COC(=O)CCCCCCCCCCN1CCC1 269982a_100000754969_100009812566 [0,1,0,1,0,0|1,0,0]=3 11507 B18R1.33919 COC(=O)CCCCCCCCCNC1CCC1 2230a_100000749019_100009813843 [0,1,0,1,0,0|1,0,0]=3 11508 B18R1.33919 COC(=O)CCCCCCCCCNC1CCC1 34a_100000749019_100009813843 [0,1,0,1,0,0|1,0,0]=3 11509 B18R1.33919 COC(=O)CCCCCCCCCNC1COC1 2230a_100016991112_100009813843 [0,1,0,1,0,0|2,0,0]=4 11510 B18R1.33919 COC(=O)CCCCCCCCCOC1CCC1 34a_100000748187_100009813843 [0,1,0,1,0,0|1,0,0]=3 11511 B18R1.33919 COC(=O)CCCCCCCCCOC1CSC1 7a_100000072292_100009813843 [0,1,0,1,0,0|2,0,0]=4 11512 B18R1.33919 COC(=O)CCCCCCCCNCC1CCC1 2230a_100000738700_100010282707 [0,1,0,1,0,0|1,0,0]=3 11513 B18R1.33919 COC(=O)CCCCCCCCNCC1CCC1 34a_100000738700_100010282707 [0,1,0,1,0,0|1,0,0]=3 11514 B18R1.33919 COC(=O)CCCCCCCCNCC1COC1 2230a_100015281925_100010282707 [0,1,0,1,0,0|2,0,0]=4 11515 B18R1.33919 COC(=O)CCCCCCCCNCC1COC1 34a_100015281925_100010282707 [0,1,0,1,0,0|2,0,0]=4 11516 B18R1.33919 COC(=O)CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100010282707 [0,1,0,1,0,0|2,0,0]=4 11517 B18R1.33919 COC(=O)CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100010282707 [0,1,0,1,0,0|2,0,0]=4 11518 B18R1.33919 COC(=O)CCCCCCCCOCC1CCC1 34a_100000035544_100000763275 [0,1,0,1,0,0|1,0,0]=3 11519 B18R1.33919 COC(=O)CCCCCCCCOCC1CCC1 34a_100000760304_100010282707 [0,1,0,1,0,0|1,0,0]=3 11520 B18R1.33919 COC(=O)CCCCCCCCOCC1CCC1 7a_100000035544_100000763275 [0,1,0,1,0,0|1,0,0]=3 11521 B18R1.33919 COC(=O)CCCCCCCCOCC1CCO1 34a_100000035544_100000103362 [0,1,0,1,0,0|2,0,0]=4 11522 B18R1.33919 COC(=O)CCCCCCCCOCC1CCO1 34a_100000039022_100010282707 [0,1,0,1,0,0|2,0,0]=4 11523 B18R1.33919 COC(=O)CCCCCCCCOCC1CCO1 7a_100000035544_100000103362 [0,1,0,1,0,0|2,0,0]=4 11524 B18R1.33919 COC(=O)CCCCCCCCOCC1CNC1 34a_100016987283_100010282707 [0,1,0,1,0,0|2,0,0]=4 11525 B18R1.33919 COC(=O)CCCCCCCCOCC1COC1 34a_100000035544_100010264016 [0,1,0,1,0,0|2,0,0]=4 11526 B18R1.33919 COC(=O)CCCCCCCCOCC1COC1 34a_100000060846_100010282707 [0,1,0,1,0,0|2,0,0]=4 11527 B18R1.33919 COC(=O)CCCCCCCCOCC1COC1 7a_100000035544_100010264016 [0,1,0,1,0,0|2,0,0]=4 11528 B18R1.33919 COC(=O)CCCCCCCCSCC1CCC1 62a_100000763275_100010282707 [0,1,0,1,0,0|1,0,0]=3 11529 B18R1.33919 COC(=O)CCCCCCCCSCC1CCC1 62a_100010282707_100000763275 [0,1,0,1,0,0|1,0,0]=3 11530 B18R1.33919 COC(=O)CCCCCCCCSCC1CCO1 62a_100000103362_100010282707 [0,1,0,1,0,0|2,0,0]=4 11531 B18R1.33919 COC(=O)CCCCCCCCSCC1CCO1 62a_100010282707_100000103362 [0,1,0,1,0,0|2,0,0]=4 11532 B18R1.33919 COC(=O)CCCCCCCCSCC1COC1 62a_100010264016_100010282707 [0,1,0,1,0,0|2,0,0]=4 11533 B18R1.33919 COC(=O)CCCCCCCCSCC1COC1 62a_100010282707_100010264016 [0,1,0,1,0,0|2,0,0]=4 11534 B18R1.33919 COC(=O)CCCCCCCOCCC1COC1 34a_100009855314_100010004213 [0,1,0,1,0,0|2,0,0]=4 11535 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100010282707 [0,1,0,1,0,0|1,0,0]=3 11536 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100010282707 [0,1,0,1,0,0|1,0,0]=3 11537 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100010282707 [0,1,0,1,0,0|1,0,0]=3 11538 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100010282707 [0,1,0,1,0,0|1,0,0]=3 11539 B18R1.34249 COC(=O)CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100010282707 [0,1,0,1,0,0|1,0,0]=3 11540 B18R1.34249 COC(=O)CCCCCCCCN1CCSC1C 2230a_200011216479_100010282707 [0,1,0,1,0,0|2,0,0]=4 11541 B18R1.34249 COC(=O)CCCCCCCCN1CCSC1C 269982a_200011216479_100010282707 [0,1,0,1,0,0|2,0,0]=4 11542 B18R1.34249 COC(=O)CCCCCCCCN1CCSC1C 34a_200011216479_100010282707 [0,1,0,1,0,0|2,0,0]=4 11543 B18R1.34249 COC(=O)CCCCCCCOC1CCCC1C 34a_100011216460_100010004213 [0,1,0,1,0,0|1,0,0]=3 11544 B18R1.34249 COC(=O)CCCCCCCOC1CCCC1C 7a_100011216460_100010004213 [0,1,0,1,0,0|1,0,0]=3 11545 B18R1.34249 COC(=O)CCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100010004213 [0,1,0,1,0,0|2,0,0]=4 11546 B18R1.34249 COC(=O)CCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100010004213 [0,1,0,1,0,0|2,0,0]=4 11547 B18R1.34249 COC(=O)CCCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100010004213 [0,1,0,1,0,0|2,0,0]=4 11548 B18R1.34249 COC(=O)CCCCCCCS[C@@H]1CCC[C@H]1O 62a_100010004213_200016002552 [0,1,0,1,0,0|2,0,0]=4 11549 B18R1.34249 COC(=O)CCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100010004213 [0,1,0,1,0,0|2,0,0]=4 11550 B18R1.34249 COC(=O)CCCCCCOCC1CCCN1C 34a_100000743107_100009815986 [0,1,0,1,0,0|2,0,0]=4 11551 B18R1.34249 COC(=O)CCCCCOCCC1CCCN1C 34a_100000074720_100000005710 [0,1,0,1,0,0|2,0,0]=4 11552 B18R1.34249 COC(=O)CCCCCOCCC1CCCN1C 34a_100011215177_100009816466 [0,1,0,1,0,0|2,0,0]=4 11553 B18R1.34249 COC(=O)CCCCCOCCC1CCCN1C 7a_100000074720_100000005710 [0,1,0,1,0,0|2,0,0]=4 11554 B18R1.34249 COC(=O)CCCCCOCCC1CCCN1C 7a_100011215177_100009816466 [0,1,0,1,0,0|2,0,0]=4 11555 B18R1.34249 COC(=O)CCCCCSCCC1CCCN1C 62a_100000005710_100009816466 [0,1,0,1,0,0|2,0,0]=4 11556 B18R1.34249 COC(=O)CCCCCSCCC1CCCN1C 62a_100009816466_100000005710 [0,1,0,1,0,0|2,0,0]=4 11557 B18R1.34254 COC(=O)CCCCCCCCCN1CCC1C 269982a_100000755817_100009813843 [0,1,0,1,0,0|1,0,0]=3 11558 B18R1.34254 COC(=O)CCCCCCCCCN1CCC1C 34a_100000755817_100009813843 [0,1,0,1,0,0|1,0,0]=3 11559 B18R1.37213 COC(=O)CCCCCCCCCCNC1CC1 34a_100000212008_100009812566 [0,1,0,1,0,0|1,0,0]=3 11560 B18R1.37213 COC(=O)CCCCCCCCCCOC1CC1 34a_100011003013_100000211595 [0,1,0,1,0,0|1,0,0]=3 11561 B18R1.37213 COC(=O)CCCCCCCCCNCC1CC1 2230a_100000735609_100009813843 [0,1,0,1,0,0|1,0,0]=3 11562 B18R1.37213 COC(=O)CCCCCCCCCNCC1CC1 34a_100000735609_100009813843 [0,1,0,1,0,0|1,0,0]=3 11563 B18R1.37213 COC(=O)CCCCCCCCCOCC1CC1 34a_100000211283_100009813843 [0,1,0,1,0,0|1,0,0]=3 11564 B18R1.37213 COC(=O)CCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100009813843 [0,1,0,1,0,0|2,0,0]=4 11565 B18R1.37213 COC(=O)CCCCCCCCCSCC1CC1 62a_100000756562_100009813843 [0,1,0,1,0,0|1,0,0]=3 11566 B18R1.37213 COC(=O)CCCCCCCCCSCC1CO1 62a_102125554688_100009813843 [0,1,0,1,0,0|2,0,0]=4 11567 B18R1.37213 COC(=O)CCCCCCCCCSCC1CS1 62a_100000031435_100009813843 [0,1,0,1,0,0|2,0,0]=4 11568 B18R1.37213 COC(=O)CCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100009813843 [0,1,0,1,0,0|2,0,0]=4 11569 B18R1.37213 COC(=O)CCCCCCCCNCCC1CC1 34a_100000764129_100010282707 [0,1,0,1,0,0|1,0,0]=3 11570 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 34a_100000035544_100000694398 [0,1,0,1,0,0|1,0,0]=3 11571 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 34a_100000754188_100010282707 [0,1,0,1,0,0|1,0,0]=3 11572 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 7a_100000035544_100000764125 [0,1,0,1,0,0|1,0,0]=3 11573 B18R1.37213 COC(=O)CCCCCCCCOCCC1CC1 7a_100000754188_100010282707 [0,1,0,1,0,0|1,0,0]=3 11574 B18R1.37213 COC(=O)CCCCCCCCOCCC1CO1 34a_100000035544_100000732470 [0,1,0,1,0,0|2,0,0]=4 11575 B18R1.37213 COC(=O)CCCCCCCCOCCC1CO1 7a_100000035544_100000732470 [0,1,0,1,0,0|2,0,0]=4 11576 B18R1.37213 COC(=O)CCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100010282707 [0,1,0,1,0,0|2,0,0]=4 11577 B18R1.37213 COC(=O)CCCCCCCCSCCC1CC1 62a_100000764125_100010282707 [0,1,0,1,0,0|1,0,0]=3 11578 B18R1.37213 COC(=O)CCCCCCCCSCCC1CC1 62a_100010282707_100000764125 [0,1,0,1,0,0|1,0,0]=3 11579 B18R1.37213 COC(=O)CCCCCCCCSCCC1CO1 62a_100000732470_100010282707 [0,1,0,1,0,0|2,0,0]=4 11580 B18R1.37213 COC(=O)CCCCCCCCSCCC1CO1 62a_100010282707_100000732470 [0,1,0,1,0,0|2,0,0]=4 11581 B18R1.37213 COC(=O)CCCCCCCOCCCC1CO1 34a_100011022521_100000733510 [0,1,0,1,0,0|2,0,0]=4 11582 B18R1.37213 COC(=O)CCCCCCCOCCCC1CO1 7a_100011022521_100000733510 [0,1,0,1,0,0|2,0,0]=4 11583 B18R1.37213 COC(=O)CCCCCCCOCCNC1CC1 34a_100000738766_100010004213 [0,1,0,1,0,0|2,0,0]=4 11584 B18R1.37213 COC(=O)CCCCCCCSCCCC1CO1 62a_100000733510_100010004213 [0,1,0,1,0,0|2,0,0]=4 11585 B18R1.37213 COC(=O)CCCCCCCSCCCC1CO1 62a_100010004213_100000733510 [0,1,0,1,0,0|2,0,0]=4 11586 B18R1.37281 CNC(=O)CCCNCCC1CCCCCCC1 2230a_100011532352_100000741757 [0,1,0,1,0,0|2,0,0]=4 11587 B18R1.37281 CNC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100000741757 [0,1,0,1,0,0|2,0,0]=4 11588 B18R1.37281 COC(=O)CCCCCCN1CCCCCCC1 2230a_100000211400_100009815986 [0,1,0,1,0,0|1,0,0]=3 11589 B18R1.37281 COC(=O)CCCCCCN1CCCCCCC1 269982a_100000211400_100009815986 [0,1,0,1,0,0|1,0,0]=3 11590 B18R1.37281 COC(=O)CCCCCCN1CCCCCCC1 34a_100000211400_100009815986 [0,1,0,1,0,0|1,0,0]=3 11591 B18R1.37281 COC(=O)CCCCCNC1CCCCCCC1 2230a_100000211152_100009816466 [0,1,0,1,0,0|1,0,0]=3 11592 B18R1.37281 COC(=O)CCCCCNC1CCCCCCC1 34a_100000211152_100009816466 [0,1,0,1,0,0|1,0,0]=3 11593 B18R1.37281 COC(=O)CCCCCOC1CCCCCCC1 34a_100000210054_100009816466 [0,1,0,1,0,0|1,0,0]=3 11594 B18R1.37281 COC(=O)CCCCCOC1CCCCCCC1 7a_100000210054_100009816466 [0,1,0,1,0,0|1,0,0]=3 11595 B18R1.37281 COC(=O)CCCCOCC1CCCCCCC1 34a_100011216312_100000204269 [0,1,0,1,0,0|1,0,0]=3 11596 B18R1.37281 COC(=O)CCCCOCC1CCCCCCC1 7a_100011216312_100000204269 [0,1,0,1,0,0|1,0,0]=3 11597 B18R1.37281 COC(=O)CCCNCCC1CCCCCCC1 2230a_100011532352_100011218270 [0,1,0,1,0,0|1,0,0]=3 11598 B18R1.37281 COC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100000742333 [0,1,0,1,0,0|1,0,0]=3 11599 B18R1.37281 COC(=O)COCCOCC1CCCCCCC1 34a_100011216312_100000090808 [0,1,0,1,0,0|2,0,0]=4 11600 B18R1.37281 COC(=O)COCCOCC1CCCCCCC1 7a_100011216312_100000090808 [0,1,0,1,0,0|2,0,0]=4 11601 B18R1.37399 COC(=O)CCCCCCCN1CCCCCC1 2230a_100000185865_100010004213 [0,1,0,1,0,0|1,0,0]=3 11602 B18R1.37399 COC(=O)CCCCCCCN1CCCCCC1 269982a_100000185865_100010004213 [0,1,0,1,0,0|1,0,0]=3 11603 B18R1.37399 COC(=O)CCCCCCCN1CCCCCC1 34a_100000185865_100010004213 [0,1,0,1,0,0|1,0,0]=3 11604 B18R1.37399 COC(=O)CCCCCCCN1CCCOCC1 2230a_100000685342_100010004213 [0,1,0,1,0,0|2,0,0]=4 11605 B18R1.37399 COC(=O)CCCCCCCN1CCCOCC1 269982a_100000685342_100010004213 [0,1,0,1,0,0|2,0,0]=4 11606 B18R1.37399 COC(=O)CCCCCCCN1CCCOCC1 34a_100000685342_100010004213 [0,1,0,1,0,0|2,0,0]=4 11607 B18R1.37399 COC(=O)CCCCCCNC1CCCCCC1 2230a_100000210984_100009815986 [0,1,0,1,0,0|1,0,0]=3 11608 B18R1.37399 COC(=O)CCCCCCNC1CCCCCC1 34a_100000210984_100009815986 [0,1,0,1,0,0|1,0,0]=3 11609 B18R1.37399 COC(=O)CCCCCCOC1CCCCCC1 34a_100000210887_100009815986 [0,1,0,1,0,0|1,0,0]=3 11610 B18R1.37399 COC(=O)CCCCCCOC1CCCCCC1 34a_100009863599_100011217769 [0,1,0,1,0,0|1,0,0]=3 11611 B18R1.37399 COC(=O)CCCCCCOC1CCCCCC1 7a_100000210887_100009815986 [0,1,0,1,0,0|1,0,0]=3 11612 B18R1.37399 COC(=O)CCCCCCSC1CCCCCC1 62a_100009815986_100011217769 [0,1,0,1,0,0|1,0,0]=3 11613 B18R1.37399 COC(=O)CCCCCCSC1CCCCCC1 62a_100011217769_100009815986 [0,1,0,1,0,0|1,0,0]=3 11614 B18R1.37399 COC(=O)CCCCCNCC1CCCCCC1 2230a_100015204231_100009816466 [0,1,0,1,0,0|1,0,0]=3 11615 B18R1.37399 COC(=O)CCCCCNCC1CCCCCC1 34a_100015204231_100009816466 [0,1,0,1,0,0|1,0,0]=3 11616 B18R1.37399 COC(=O)CCCCCOCC1CCCCCC1 34a_100000074720_200000696569 [0,1,0,1,0,0|1,0,0]=3 11617 B18R1.37399 COC(=O)CCCCCOCC1CCCCCC1 34a_100000699130_100009816466 [0,1,0,1,0,0|1,0,0]=3 11618 B18R1.37399 COC(=O)CCCCCOCC1CCCCCC1 7a_100000074720_200000696569 [0,1,0,1,0,0|1,0,0]=3 11619 B18R1.37399 COC(=O)CCCCCOCC1CCCCCC1 7a_100000699130_100009816466 [0,1,0,1,0,0|1,0,0]=3 11620 B18R1.37399 COC(=O)CCCCCSCC1CCCCCC1 62a_100009816466_200000696569 [0,1,0,1,0,0|1,0,0]=3 11621 B18R1.37399 COC(=O)CCCCCSCC1CCCCCC1 62a_200000696569_100009816466 [0,1,0,1,0,0|1,0,0]=3 11622 B18R1.37399 COC(=O)CCCCNCCC1CCCCCC1 2230a_100011532351_100000204269 [0,1,0,1,0,0|1,0,0]=3 11623 B18R1.37399 COC(=O)CCCCNCCC1CCCCCC1 34a_100011532351_100000204269 [0,1,0,1,0,0|1,0,0]=3 11624 B18R1.37399 COC(=O)CCCCOCCN1CCCCCC1 34a_100000238007_100000204269 [0,1,0,1,0,0|2,0,0]=4 11625 B18R1.37399 COC(=O)CCCCOCCN1CCCCCC1 7a_100000059025_100000722644 [0,1,0,1,0,0|2,0,0]=4 11626 B18R1.37399 COC(=O)CCCCSCCN1CCCCCC1 62a_100000204269_100000722644 [0,1,0,1,0,0|2,0,0]=4 11627 B18R1.37399 COC(=O)CCCCSCCN1CCCCCC1 62a_100000722644_100000204269 [0,1,0,1,0,0|2,0,0]=4 11628 B18R1.37399 COC(=O)CCCOCCCN1CCCCCC1 34a_100102886287_100000742333 [0,1,0,1,0,0|2,0,0]=4 11629 B18R1.37399 COC(=O)CCCOCCCN1CCCCCC1 7a_100102886287_100011218270 [0,1,0,1,0,0|2,0,0]=4 11630 B18R1.37399 COC(=O)CCOCCCCN1CCCCCC1 34a_100011305542_100000742370 [0,1,0,1,0,0|2,0,0]=4 11631 B18R1.37399 COC(=O)COCCNCCC1CCCCCC1 2230a_100011532351_100000090808 [0,1,0,1,0,0|2,0,0]=4 11632 B18R1.37399 COC(=O)COCCNCCC1CCCCCC1 34a_100011532351_100000090808 [0,1,0,1,0,0|2,0,0]=4 11633 B18R1.37990 CCC1CCCCC1OCCCCCC(=O)OC 34a_100000210738_100009816466 [0,1,0,1,0,0|1,0,0]=3 11634 B18R1.37990 CCC1CCCCC1OCCCCCC(=O)OC 7a_100000210738_100009816466 [0,1,0,1,0,0|1,0,0]=3 11635 B18R1.37990 CCC1CCCCN1CCCCCCC(=O)OC 2230a_100000210034_100009815986 [0,1,0,1,0,0|1,0,0]=3 11636 B18R1.37990 CCC1CCCCN1CCCCCCC(=O)OC 269982a_100000210034_100009815986 [0,1,0,1,0,0|1,0,0]=3 11637 B18R1.37990 CCC1CCCCN1CCCCCCC(=O)OC 34a_100000210034_100009815986 [0,1,0,1,0,0|1,0,0]=3 11638 B18R1.37990 CCC1CCCCN1CCCNCCC(=O)OC 34a_100011191702_100000742370 [0,1,0,1,0,0|2,0,0]=4 11639 B18R1.37990 CCC1CCCCN1CCNCCCC(=O)OC 2230a_100000755458_100011218270 [0,1,0,1,0,0|2,0,0]=4 11640 B18R1.37990 CCC1CCCCN1CCNCCCC(=O)OC 34a_100000755458_100000742333 [0,1,0,1,0,0|2,0,0]=4 11641 B18R1.37990 CCN1CCCCC1CNCCCCC(=O)OC 2230a_100000754393_100000204269 [0,1,0,1,0,0|2,0,0]=4 11642 B18R1.37990 CCN1CCCCC1CNCCCCC(=O)OC 34a_100000754393_100000204269 [0,1,0,1,0,0|2,0,0]=4 11643 B18R1.37990 CCN1CCCCC1COCCCCC(=O)OC 34a_100000225091_100000204269 [0,1,0,1,0,0|2,0,0]=4 11644 B18R1.37990 CCN1CCCCC1COCCCCC(=O)OC 7a_100000225091_100000204269 [0,1,0,1,0,0|2,0,0]=4 11645 B18R1.37990 CC[C@H]1COCCN1CCCCCCC(=O)OC 2230a_100016988097_100009815986 [0,1,0,1,0,0|2,0,0]=4 11646 B18R1.37990 CC[C@H]1COCCN1CCCCCCC(=O)OC 269982a_100016988097_100009815986 [0,1,0,1,0,0|2,0,0]=4 11647 B18R1.37990 CC[C@H]1COCCN1CCCCCCC(=O)OC 34a_100016988097_100009815986 [0,1,0,1,0,0|2,0,0]=4 11648 B18R1.37990 CN[C@@H]1CCCC[C@H]1OCCCCCC(=O)OC 34a_100000708425_100009816466 [0,1,0,1,0,0|2,0,0]=4 11649 B18R1.37990 COC(=O)CCCCCCN1CCCCC1CO 2230a_100000210821_100009815986 [0,1,0,1,0,0|2,0,0]=4 11650 B18R1.37990 COC(=O)CCCCCCN1CCCCC1CO 269982a_100000210821_100009815986 [0,1,0,1,0,0|2,0,0]=4 11651 B18R1.37990 COC(=O)CCCCCCN1CCCCC1CO 34a_100000210821_100009815986 [0,1,0,1,0,0|2,0,0]=4 11652 B18R1.37990 COC(=O)CCCCCNC1CCCCC1OC 34a_100011208099_100009816466 [0,1,0,1,0,0|2,0,0]=4 11653 B18R1.37990 COC(=O)CCCCCOC1CCCCC1CN 34a_100011216029_100009816466 [0,1,0,1,0,0|2,0,0]=4 11654 B18R1.37990 COC(=O)CCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100009816466 [0,1,0,1,0,0|2,0,0]=4 11655 B18R1.37990 COC(=O)CCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100009816466 [0,1,0,1,0,0|2,0,0]=4 11656 B18R1.40321 CCCCCCCC1CCCC1NCC(=O)NC 269862a_100000693194_200011216720 [0,1,0,1,0,0|2,0,0]=4 11657 B18R1.40321 CCCCCCCC1CCCC1NCC(=O)NC 270004a_100000693194_200011216720 [0,1,0,1,0,0|2,0,0]=4 11658 B18R1.40547 CCCCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210320 [0,1,0,1,0,0|1,0,0]=3 11659 B18R1.40547 CCCCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210320 [0,1,0,1,0,0|1,0,0]=3 11660 B18R1.40547 COC(=O)[C@@H]1CCN1CCCCCCCCCO 2230a_102516456887_100009813782 [0,1,0,1,0,0|2,0,0]=4 11661 B18R1.40547 COC(=O)[C@@H]1CCN1CCCCCCCCCO 269982a_102516456887_100009813782 [0,1,0,1,0,0|2,0,0]=4 11662 B18R1.17620 CC1CN(C1)CCCCCCCCCCC(=O)N 2230a_100000702820_200010167045 [0,1,0,1,0,0|2,0,0]=4 11663 B18R1.17620 CC1CN(C1)CCCCCCCCCCC(=O)N 269982a_100000702820_200010167045 [0,1,0,1,0,0|2,0,0]=4 11664 B18R1.17620 CC1CN(C1)CCCCCCCCCCC(=O)N 34a_100000702820_200010167045 [0,1,0,1,0,0|2,0,0]=4 11665 B18R1.17620 NC(=O)CCCCCCCCCCN1CC(C1)F 2230a_100000690557_200010167045 [0,1,0,1,0,0|2,0,0]=4 11666 B18R1.17620 NC(=O)CCCCCCCCCCN1CC(C1)F 269982a_100000690557_200010167045 [0,1,0,1,0,0|2,0,0]=4 11667 B18R1.17620 NC(=O)CCCCCCCCCCN1CC(C1)F 34a_100000690557_200010167045 [0,1,0,1,0,0|2,0,0]=4 11668 B18R1.17620 NC(=O)CCCCCCCCCCN1CC(C1)O 269982a_100000749847_200010167045 [0,1,0,1,0,0|2,0,0]=4 11669 B18R1.29054 CCCC(=O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000747444 [0,1,0,1,0,0|1,0,1]=4 11670 B18R1.29054 CCCC(C)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011216630 [0,1,0,1,0,0|1,0,0]=3 11671 B18R1.29054 COCC(O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215053 [0,1,0,1,0,0|2,0,0]=4 11672 B18R1.173941 CN(CCCCCCCCCCC(=O)N)C1CC1 2230a_100000226674_200010167045 [0,1,0,1,0,0|2,0,0]=4 11673 B18R1.173941 CN(CCCCCCCCCCC(=O)N)C1CC1 269982a_100000226674_200010167045 [0,1,0,1,0,0|2,0,0]=4 11674 B18R1.173941 NC(=O)CCCCCCCCCCC(=O)C1CC1 1458a_100000210395_200010167045 [0,1,0,1,0,0|1,0,1]=4 11675 B18R1.20793 CC(=O)CCCCN1CCCCCC1CC(C)C 269982a_100000759364_100000735457 [0,1,0,1,0,0|2,0,0]=4 11676 B18R1.20793 CC(=O)CCCCN1CCCCCC1CC(C)C 34a_100000759364_100009817362 [0,1,0,1,0,0|2,0,0]=4 11677 B18R1.20896 CC(=O)CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000735457 [0,1,0,1,0,0|1,0,1]=4 11678 B18R1.20896 CC(C)CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011216152 [0,1,0,1,0,0|1,0,0]=3 11679 B18R1.20896 CN(C)CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000690147 [0,1,0,1,0,0|2,0,0]=4 11680 B18R1.21003 CC(C)C1CCCCCN1CCCCCC(=O)N 2230a_100000697956_100009817443 [0,1,0,1,0,0|2,0,0]=4 11681 B18R1.21003 CC(C)C1CCCCCN1CCCCCC(=O)N 269982a_100000697956_100009817443 [0,1,0,1,0,0|2,0,0]=4 11682 B18R1.21003 CC(C)C1CCCCCN1CCCCCC(=O)N 34a_100000697956_100009817443 [0,1,0,1,0,0|2,0,0]=4 11683 B18R1.21003 CC(C)CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210682 [0,1,0,1,0,0|1,0,0]=3 11684 B18R1.21080 CC(C)CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210682 [0,1,0,1,0,0|2,0,0]=4 11685 B18R1.21080 CC(C)CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210682 [0,1,0,1,0,0|2,0,0]=4 11686 B18R1.21080 CC(C)CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210682 [0,1,0,1,0,0|2,0,0]=4 11687 B18R1.21183 CC(C)C1CCCCC1OCCCCCC(=O)N 34a_100011709184_100009817443 [0,1,0,1,0,0|2,0,0]=4 11688 B18R1.21183 CC(C)C1CCCCC1OCCCCCC(=O)N 7a_100011709184_100009817443 [0,1,0,1,0,0|2,0,0]=4 11689 B18R1.21183 CC(C)CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210682 [0,1,0,1,0,0|1,0,0]=3 11690 B18R1.36991 CC(=O)CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215641 [0,1,0,1,0,0|1,0,1]=4 11691 B18R1.36991 CC(C)CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011214892 [0,1,0,1,0,0|1,0,0]=3 11692 B18R1.36991 CC(C)OCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000211751 [0,1,0,1,0,0|2,0,0]=4 11693 B18R1.36991 CC(C)SCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000730970 [0,1,0,1,0,0|2,0,0]=4 11694 B18R1.36991 CC(O)CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000718107 [0,1,0,1,0,0|1,0,0]=3 11695 B18R1.36991 CN(C)CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000757444 [0,1,0,1,0,0|2,0,0]=4 11696 B18R1.700 CCCCCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210670 [0,1,0,1,0,0|1,0,1]=4 11697 B18R1.1310 CCCCCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210670 [0,1,0,1,0,0|1,0,1]=4 11698 B18R1.1310 CCCCCCCCCC(=O)CC1CNC(=O)O1 1458a_100000210558_100000181169 [0,1,0,1,0,0|1,0,1]=4 11699 B18R1.1310 CCCCCCCCCC(=O)CC1COC(=O)O1 1458a_100000210558_100000073702 [0,1,0,1,0,0|1,0,1]=4 11700 B18R1.1310 CCCCCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210558_100015189358 [0,1,0,1,0,0|1,0,1]=4 11701 B18R1.1310 CCCCCCCCCC(C)OC1COC(=O)O1 34a_100011218016_100000032252 [0,1,0,1,0,0|2,0,0]=4 11702 B18R1.1310 CCCCCCCCCN(C)CC1CNC(=O)O1 2230a_100000232482_100000181169 [0,1,0,1,0,0|2,0,0]=4 11703 B18R1.1310 CCCCCCCCCN(C)CC1CNC(=O)O1 269982a_100000232482_100000181169 [0,1,0,1,0,0|2,0,0]=4 11704 B18R1.1310 CCCCCCCCCN(C)CC1COC(=O)O1 269982a_100000232482_100000073702 [0,1,0,1,0,0|2,0,0]=4 11705 B18R1.1310 CCCCCCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000232482_100015189358 [0,1,0,1,0,0|2,0,0]=4 11706 B18R1.1310 CCCCCCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000232482_100015189358 [0,1,0,1,0,0|2,0,0]=4 11707 B18R1.13444 CCCCCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100011214924 [0,1,0,1,0,0|2,0,0]=4 11708 B18R1.13444 CCCCCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210670 [0,1,0,1,0,0|2,0,0]=4 11709 B18R1.13444 CCCCCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100011214924 [0,1,0,1,0,0|2,0,0]=4 11710 B18R1.13444 CCCCCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210759 [0,1,0,1,0,0|2,0,0]=4 11711 B18R1.13444 CCCCCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210759 [0,1,0,1,0,0|2,0,0]=4 11712 B18R1.13444 CCCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210759 [0,1,0,1,0,0|1,0,0]=3 11713 B18R1.13444 COCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011998445 [0,1,0,1,0,0|2,0,0]=4 11714 B18R1.13444 O=C(O)C1CCCC(C1)NCCCCCCCO 269956a_100011216634_100000760002 [0,1,0,1,0,0|2,0,0]=4 11715 B18R1.20927 CC(=O)CCCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000735457 [0,1,0,1,0,0|1,0,1]=4 11716 B18R1.40283 CC1CCCC(N1CCCCCCCO)C(=O)O 269956a_100000704260_100000760002 [0,1,0,1,0,0|2,0,0]=4 11717 B18R1.40283 CCCCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210759 [0,1,0,1,0,0|1,0,0]=3 11718 B18R1.40283 COCCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100011998445 [0,1,0,1,0,0|2,0,0]=4 11719 B18R1.41198 CCCCCCCCCC(C)OCC1CC(=O)C1 7a_100011218016_100009874392 [0,1,0,1,0,0|2,0,0]=4 11720 B18R1.40320 CCCCCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_200011216720 [0,1,0,1,0,0|2,0,0]=4 11721 B18R1.52728 CC(=O)C(C)NC1CCCCCCCCCCC1 2230a_100011194316_100009814033 [0,1,0,1,0,0|2,0,0]=4 11722 B18R1.52728 CC(=O)C(C)OC1CCCCCCCCCCC1 7a_100000211378_100000179758 [0,1,0,1,0,0|2,0,0]=4 11723 B18R1.52728 CC(NC1CCCCCCCCCCC1)C(=O)N 2230a_100011194316_100000702099 [0,1,0,1,0,0|2,0,0]=4 11724 B18R1.52728 CC(NC1CCCCCCCCCCC1)C(=O)N 34a_100011194316_100000702099 [0,1,0,1,0,0|2,0,0]=4 11725 B18R1.52728 CC(OC1CCCCCCCCCCC1)C(=O)N 34a_100000211378_100000702099 [0,1,0,1,0,0|2,0,0]=4 11726 B18R1.52728 CC(OC1CCCCCCCCCCC1)C(=O)N 7a_100000211378_100000702099 [0,1,0,1,0,0|2,0,0]=4 11727 B18R1.52728 C[C@@H](NC1CCCCCCCCCCC1)C(=O)N 270004a_100000119354_100000210130 [0,1,0,1,0,0|2,0,0]=4 11728 B18R1.52728 NC(=O)C(F)NC1CCCCCCCCCCC1 2230a_100011194316_100009813875 [0,1,0,1,0,0|2,0,0]=4 11729 B18R1.52728 NC(=O)C(F)NC1CCCCCCCCCCC1 34a_100011194316_100009813875 [0,1,0,1,0,0|2,0,0]=4 11730 B18R1.52728 NC(=O)C(F)OC1CCCCCCCCCCC1 34a_100000211378_100009813875 [0,1,0,1,0,0|2,0,0]=4 11731 B18R1.52728 NC(=O)C(F)OC1CCCCCCCCCCC1 7a_100000211378_100009813875 [0,1,0,1,0,0|2,0,0]=4 11732 B18R1.52728 O=C([O-])C(F)NC1CCCCCCCCCCC1 34a_100011194316_100020610796 [0,1,0,1,0,0|1,0,1]=4 11733 B18R1.52728 O=C([O-])C(F)OC1CCCCCCCCCCC1 34a_100000211378_100020610796 [0,1,0,1,0,0|1,0,1]=4 11734 B18R1.61816 CCCCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210670 [0,1,0,1,0,0|1,0,0]=3 11735 B18R1.61816 C[C@]1(CCCN1CCCCCCCCO)C(=O)O 269956a_100009816582_100000033203 [0,1,0,1,0,0|2,0,0]=4 11736 B18R1.94704 CC1(CCCCN1CCCCCCCO)C(=O)O 269956a_100000698061_100000760002 [0,1,0,1,0,0|2,0,0]=4 11737 B18R1.94704 CCCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210759 [0,1,0,1,0,0|1,0,0]=3 11738 B18R1.94704 COCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100011998445 [0,1,0,1,0,0|2,0,0]=4 11739 B18R1.1039 NC(=O)CCCCCNCCC1CCC(CC1)O 34a_200011935226_100009817443 [0,1,0,1,0,0|2,0,0]=4 11740 B18R1.1039 NC(=O)CCCCCOCCC1CCC(CC1)N 34a_100000070672_100009817443 [0,1,0,1,0,0|2,0,0]=4 11741 B18R1.1093 CCC(C)C1CCCCC1NCCCCC(=O)N 269862a_100000696515_100011216798 [0,1,0,1,0,0|2,0,0]=4 11742 B18R1.2223 CCN(C)CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100015186262 [0,1,0,1,0,0|2,0,0]=4 11743 B18R1.173875 CC1(CC1)NCCCCCCCCCCC(=O)N 2230a_100000757604_200010167045 [0,1,0,1,0,0|2,0,0]=4 11744 B18R1.173875 CC1(CC1)OCCCCCCCCCCC(=O)N 7a_100011725673_200010167045 [0,1,0,1,0,0|2,0,0]=4 11745 B18R2.4110 O=C(O)CCC1CCCCN1[C@@H]2CCC[C@H]2O 269956a_100000694054_200016002552 [0,0,0,2,0,0|2,0,0]=4 11746 B18R2.4115 CC(=O)CCN1CCCCC1C2CCCCC2 269982a_100011219272_100000053229 [0,0,0,2,0,0|2,0,0]=4 11747 B18R2.4115 NC(=O)CCN1CCCCC1C2CCCCC2 2230a_100011219272_100000744528 [0,0,0,2,0,0|2,0,0]=4 11748 B18R2.4115 NC(=O)CCN1CCCCC1C2CCCCC2 269982a_100011219272_100000744528 [0,0,0,2,0,0|2,0,0]=4 11749 B18R2.4115 NC(=O)CCN1CCCCC1C2CCCCC2 34a_100011219272_100000731001 [0,0,0,2,0,0|2,0,0]=4 11750 B18R2.4115 NC(=O)CNC1CCCCC1C2CCCCC2 2230a_200011339469_100000747473 [0,0,0,2,0,0|2,0,0]=4 11751 B18R2.4115 NC(=O)CNC1CCCCC1C2CCCCC2 34a_200011339469_100000187820 [0,0,0,2,0,0|2,0,0]=4 11752 B18R2.4115 NC(=O)COC1CCCCC1C2CCCCC2 34a_100011217387_100000187820 [0,0,0,2,0,0|2,0,0]=4 11753 B18R2.4115 NC(=O)COC1CCCCC1C2CCCCC2 7a_100011217387_100000187820 [0,0,0,2,0,0|2,0,0]=4 11754 B18R2.4115 O=C(O)CCC1CCCCN1C2CCCCC2 269956a_100000694054_100000210327 [0,0,0,2,0,0|1,0,0]=3 11755 B18R2.4115 O=C(O)CCC1CCCCN1C2CCCOC2 269956a_100000694054_100000693364 [0,0,0,2,0,0|2,0,0]=4 11756 B18R2.4115 O=C(O)CCC1CCCCN1C2CCOCC2 269956a_100000694054_100011324220 [0,0,0,2,0,0|2,0,0]=4 11757 B18R2.4115 O=C(O)CCC1CCCCN1C2CCSCC2 269956a_100000694054_100000069128 [0,0,0,2,0,0|2,0,0]=4 11758 B18R2.4115 O=C([O-])CNC1CCCCC1C2CCCCC2 34a_200011339469_100020667443 [0,0,0,2,0,0|1,0,1]=4 11759 B18R2.4115 O=C([O-])COC1CCCCC1C2CCCCC2 34a_100011217387_100020667443 [0,0,0,2,0,0|1,0,1]=4 11760 B18R2.7057 O=C(O)CCC1CCCCN1CC2CCCC2 269956a_100000694054_100000740388 [0,0,0,2,0,0|1,0,0]=3 11761 B18R2.7057 O=C(O)CCC1CCCCN1CC2CCCO2 269956a_100000694054_100000183445 [0,0,0,2,0,0|2,0,0]=4 11762 B18R2.7057 O=C(O)CCC1CCCCN1CC2CCOC2 269956a_100000694054_100011261433 [0,0,0,2,0,0|2,0,0]=4 11763 B18R2.73340 CCCCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210326 [0,0,0,2,0,0|1,0,0]=3 11764 B18R2.73340 CCOCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210147 [0,0,0,2,0,0|2,0,0]=4 11765 B18R2.73340 CCSCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000757381 [0,0,0,2,0,0|2,0,0]=4 11766 B18R2.73340 COCCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000740836 [0,0,0,2,0,0|2,0,0]=4 11767 B18R2.73340 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCF 269956a_100000703543_100000729493 [0,0,0,2,0,0|2,0,0]=4 11768 B18R2.73340 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCCO 269956a_100000703543_100000210776 [0,0,0,2,0,0|2,0,0]=4 11769 B18R2.289748 O=C(O)CCC1CCCCN1CCCC2CO2 269956a_100000694054_100000733510 [0,0,0,2,0,0|2,0,0]=4 11770 B18R2.7037 CC(=O)CCCN1CCCC1C2CCCCC2 269982a_100011206067_100011215641 [0,0,0,2,0,0|2,0,0]=4 11771 B18R2.7037 CC(=O)CCCN1CCCC1C2CCCCC2 34a_100011206067_100000685027 [0,0,0,2,0,0|2,0,0]=4 11772 B18R2.7037 NC(=O)CCCN1CCCC1C2CCCCC2 269982a_100011206067_100102525003 [0,0,0,2,0,0|2,0,0]=4 11773 B18R2.7037 NC(=O)CCCN1CCCC1C2CCCCC2 34a_100011206067_100102525003 [0,0,0,2,0,0|2,0,0]=4 11774 B18R2.7719 CCCC1CCCC1N2CCCCC2C(=O)N 270004a_100000181395_100000723119 [0,0,0,2,0,0|2,0,0]=4 11775 B18R2.1375724 CC(=O)CCCCNCC12CCCC1CCC2 34a_100159271432_100009817362 [0,0,0,2,0,0|2,0,0]=4 11776 B18R2.4011 CC1CCCCC1N2CCCCC2CC(=O)N 270004a_100015184752_100000210921 [0,0,0,2,0,0|2,0,0]=4 11777 B18R2.4750 CN1CCCCC1CN2CCCC[C@@H]2C(=O)O 269956a_100000763471_100015185383 [0,0,0,2,0,0|2,0,0]=4 11778 B18R2.4750 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCCC2F 269956a_100009816435_100015423560 [0,0,0,2,0,0|2,0,0]=4 11779 B18R2.4750 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCCC2O 269956a_100009816435_100000038908 [0,0,0,2,0,0|2,0,0]=4 11780 B18R2.7093 NC(=O)CCCCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100009817443 [0,0,0,2,0,0|2,0,0]=4 11781 B18R2.7093 NC(=O)CCCCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100009817443 [0,0,0,2,0,0|2,0,0]=4 11782 B18R2.7093 NC(=O)CCCCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100009817443 [0,0,0,2,0,0|2,0,0]=4 11783 B18R2.9909 CC(=O)CCCCN1CCC2CCCCC2C1 269982a_100000211783_100000735457 [0,0,0,2,0,0|2,0,0]=4 11784 B18R2.9909 CC(=O)CCCCN1CCC2CCCCC2C1 34a_100000211783_100009817362 [0,0,0,2,0,0|2,0,0]=4 11785 B18R2.9909 CC(=O)CCCOC1CCC2CCCCC2C1 34a_100000211317_100000685027 [0,0,0,2,0,0|2,0,0]=4 11786 B18R2.9909 CC(=O)CCCOC1CCC2CCCCC2C1 7a_100000211317_100011215641 [0,0,0,2,0,0|2,0,0]=4 11787 B18R2.9909 NC(=O)CCCOC1CCC2CCCCC2C1 34a_100000211317_100102525003 [0,0,0,2,0,0|2,0,0]=4 11788 B18R2.9909 NC(=O)CCCOC1CCC2CCCCC2C1 7a_100000211317_100102525003 [0,0,0,2,0,0|2,0,0]=4 11789 B18R2.39761 CN1CCCCC1CCN2CCC[C@H]2C(=O)O 269956a_100000743916_100000211948 [0,0,0,2,0,0|2,0,0]=4 11790 B18R2.332820 O=C(O)C1CCCCCN1C2CCCCC2F 269956a_100000758484_100015423560 [0,0,0,2,0,0|2,0,0]=4 11791 B18R2.332820 O=C(O)C1CCCCCN1C2CCCCC2O 269956a_100000758484_100000038908 [0,0,0,2,0,0|2,0,0]=4 11792 B18R2.557391 NC(=O)CCCCCOCC1CC2CCC1C2 34a_100000229996_100009817443 [0,0,0,2,0,0|2,0,0]=4 11793 B18R2.3899 O=C1CCCC(N1)COCCCC2CCCC2 34a_200000102386_100011713738 [0,0,0,2,0,0|2,0,0]=4 11794 B18R2.6483 O=C1CCCC(C1)OCCCC2CCCCC2 34a_100012613340_100011713725 [0,0,0,2,0,0|2,0,0]=4 11795 B18R2.6483 O=C1CCCC(N1)COCCC2CCCCC2 34a_200000102386_100011209188 [0,0,0,2,0,0|2,0,0]=4 11796 B18R2.31194 O=C1CCCC(N1)COCC2CCCCCC2 34a_200000102386_200000696569 [0,0,0,2,0,0|2,0,0]=4 11797 B18R2.5154 CCCC1CCCCC1N2CCC[C@H]2C(=O)N 270004a_100000003125_100011218038 [0,0,0,2,0,0|2,0,0]=4 11798 B18R2.5268 CCCC1CCCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100011218038 [0,0,0,2,0,0|2,0,0]=4 11799 B18R2.5268 CCCC1CCCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100011218038 [0,0,0,2,0,0|2,0,0]=4 11800 B18R2.5268 CCCC1CCCCC1OCC2CNC(=O)O2 34a_100011217265_100000181169 [0,0,0,2,0,0|2,0,0]=4 11801 B18R2.5268 CCCC1CCCCC1OCC2CNC(=O)O2 7a_100011217265_100000181169 [0,0,0,2,0,0|2,0,0]=4 11802 B18R2.5268 CCCC1CCCCC1OCC2COC(=O)O2 34a_100011217265_100000073702 [0,0,0,2,0,0|2,0,0]=4 11803 B18R2.5268 CCCC1CCCCC1OC[C@@H]2CCC(=O)N2 7a_100011217265_100015189358 [0,0,0,2,0,0|2,0,0]=4 11804 B18R2.556536 CC(=O)CCCCN1CCCC2C1CCCC2 269982a_100000211887_100000735457 [0,0,0,2,0,0|2,0,0]=4 11805 B18R2.556536 CC(=O)CCCCN1CCCC2C1CCCC2 34a_100000211887_100009817362 [0,0,0,2,0,0|2,0,0]=4 11806 B18R2.556536 CC(=O)CCCOC1CCCC2C1CCCC2 34a_100000042559_100000685027 [0,0,0,2,0,0|2,0,0]=4 11807 B18R2.556536 CC(=O)CCCOC1CCCC2C1CCCC2 7a_100000042559_100011215641 [0,0,0,2,0,0|2,0,0]=4 11808 B18R2.556536 NC(=O)CCCNC1CCCC2C1CCCC2 269862a_100000739312_100000032293 [0,0,0,2,0,0|2,0,0]=4 11809 B18R2.556536 NC(=O)CCCOC1CCCC2C1CCCC2 34a_100000042559_100102525003 [0,0,0,2,0,0|2,0,0]=4 11810 B18R2.556536 NC(=O)CCCOC1CCCC2C1CCCC2 7a_100000042559_100102525003 [0,0,0,2,0,0|2,0,0]=4 11811 B18R2.3701 O=C1CCC(N1)COCCCC2CCCCC2 34a_100000737831_100011713725 [0,0,0,2,0,0|2,0,0]=4 11812 B18R2.3701 O=C1CC[C@@H](N1)CNCCCC2CCCCC2 2230a_100015423886_100011713725 [0,0,0,2,0,0|2,0,0]=4 11813 B18R2.3701 O=C1CC[C@@H](N1)CNCCCC2CCCCC2 34a_100015423886_100011713725 [0,0,0,2,0,0|2,0,0]=4 11814 B18R2.3701 O=C1CC[C@H](N1)CNCCCC2CCCCC2 2230a_100011211642_100015189358 [0,0,0,2,0,0|2,0,0]=4 11815 B18R2.3701 O=C1CC[C@H](N1)COCCCC2CCCCC2 7a_100000198086_100015189358 [0,0,0,2,0,0|2,0,0]=4 11816 B18R2.3701 O=C1CC[C@H](N1)CSCCCC2CCCCC2 62a_100011713725_100015189358 [0,0,0,2,0,0|2,0,0]=4 11817 B18R2.3701 O=C1CC[C@H](N1)CSCCCC2CCCCC2 62a_100015189358_100011713725 [0,0,0,2,0,0|2,0,0]=4 11818 B18R2.3701 O=C1NCC(O1)CNCCCC2CCCCC2 2230a_100011211642_100000181169 [0,0,0,2,0,0|2,0,0]=4 11819 B18R2.3701 O=C1NCC(O1)CNCCCC2CCCCC2 34a_100011211642_100000181169 [0,0,0,2,0,0|2,0,0]=4 11820 B18R2.3701 O=C1NCC(O1)COCCCC2CCCCC2 34a_100000198086_100000181169 [0,0,0,2,0,0|2,0,0]=4 11821 B18R2.3701 O=C1NCC(O1)COCCCC2CCCCC2 34a_100011315639_100011713725 [0,0,0,2,0,0|2,0,0]=4 11822 B18R2.3701 O=C1NCC(O1)COCCCC2CCCCC2 7a_100000198086_100000181169 [0,0,0,2,0,0|2,0,0]=4 11823 B18R2.3701 O=C1NCC(O1)CSCCCC2CCCCC2 62a_100000181169_100011713725 [0,0,0,2,0,0|2,0,0]=4 11824 B18R2.3701 O=C1NCC(O1)CSCCCC2CCCCC2 62a_100011713725_100000181169 [0,0,0,2,0,0|2,0,0]=4 11825 B18R2.3701 O=C1OCC(O1)CNCCCC2CCCCC2 34a_100011211642_100000073702 [0,0,0,2,0,0|2,0,0]=4 11826 B18R2.3701 O=C1OCC(O1)COCCCC2CCCCC2 34a_100000198086_100000073702 [0,0,0,2,0,0|2,0,0]=4 11827 B18R2.3701 O=C1OCC(O1)CSCCCC2CCCCC2 62a_100000073702_100011713725 [0,0,0,2,0,0|2,0,0]=4 11828 B18R2.3701 O=C1OCC(O1)CSCCCC2CCCCC2 62a_100011713725_100000073702 [0,0,0,2,0,0|2,0,0]=4 11829 B18R2.3701 O=C1OCC(O1)OCCCCC2CCCCC2 34a_100011215267_100000032252 [0,0,0,2,0,0|2,0,0]=4 11830 B18R2.8274 CCCCC1CCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000750825 [0,0,0,2,0,0|2,0,0]=4 11831 B18R2.8274 CCCCC1CCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100000750825 [0,0,0,2,0,0|2,0,0]=4 11832 B18R2.29463 O=C1CC[C@@H](N1)CNC2CCCCCCCC2 270004a_100015423886_100000038600 [0,0,0,2,0,0|2,0,0]=4 11833 B18R2.29762 O=C1CC[C@H](N1)COCC2CCCCCCC2 7a_100011216312_100015189358 [0,0,0,2,0,0|2,0,0]=4 11834 B18R2.29762 O=C1NCC(O1)COCC2CCCCCCC2 34a_100011216312_100000181169 [0,0,0,2,0,0|2,0,0]=4 11835 B18R2.29762 O=C1NCC(O1)COCC2CCCCCCC2 7a_100011216312_100000181169 [0,0,0,2,0,0|2,0,0]=4 11836 B18R2.29762 O=C1OCC(O1)COCC2CCCCCCC2 34a_100011216312_100000073702 [0,0,0,2,0,0|2,0,0]=4 11837 B18R2.29762 O=C1OCC(O1)NCCC2CCCCCCC2 34a_100011532352_100000032252 [0,0,0,2,0,0|2,0,0]=4 11838 B18R2.264814 O=C1CC[C@H](N1)CNCCC2CCCCCC2 2230a_100011532351_100015189358 [0,0,0,2,0,0|2,0,0]=4 11839 B18R2.264814 O=C1NCC(O1)CNCCC2CCCCCC2 2230a_100011532351_100000181169 [0,0,0,2,0,0|2,0,0]=4 11840 B18R2.264814 O=C1NCC(O1)CNCCC2CCCCCC2 34a_100011532351_100000181169 [0,0,0,2,0,0|2,0,0]=4 11841 B18R2.264814 O=C1OCC(O1)CNCCC2CCCCCC2 34a_100011532351_100000073702 [0,0,0,2,0,0|2,0,0]=4 11842 B18R2.6573 CC(=O)CCCN1C(CCC2C1CCCC2)C 269982a_100132302184_100011215641 [0,0,0,2,0,0|2,0,0]=4 11843 B18R2.6573 CC(=O)CCCN1C(CCC2C1CCCC2)C 34a_100132302184_100000685027 [0,0,0,2,0,0|2,0,0]=4 11844 B18R2.6573 CC1CCC2CCCCC2N1CCCC(=O)N 269982a_100132302184_100102525003 [0,0,0,2,0,0|2,0,0]=4 11845 B18R2.6573 CC1CCC2CCCCC2N1CCCC(=O)N 34a_100132302184_100102525003 [0,0,0,2,0,0|2,0,0]=4 11846 B18R2.15074 CCCCC1CCCC1N2CCC[C@H]2C(=O)N 270004a_100000003125_100000750825 [0,0,0,2,0,0|2,0,0]=4 11847 B18R2.6419 O=C1CC(C1)COCCCCC2CCCCC2 7a_100011215267_100009874392 [0,0,0,2,0,0|2,0,0]=4 11848 B18R2.7136 O=C(O)C1CCCCCN1CC2CCCCC2 269956a_100000758484_100000211423 [0,0,0,2,0,0|1,0,0]=3 11849 B18R2.7136 O=C(O)C1CCCCCN1CC2CCCCO2 269956a_100000758484_100000211543 [0,0,0,2,0,0|2,0,0]=4 11850 B18R2.7136 O=C(O)C1CCCCCN1CC2CCCOC2 269956a_100000758484_100000741521 [0,0,0,2,0,0|2,0,0]=4 11851 B18R2.7136 O=C(O)C1CCCCCN1CC2CCOCC2 269956a_100000758484_100000754603 [0,0,0,2,0,0|2,0,0]=4 11852 B18R2.7138 NC(=O)C1CCCCN1CCC2CCCCC2 2230a_100000181395_100012355289 [0,0,0,2,0,0|2,0,0]=4 11853 B18R2.7138 NC(=O)C1CCCCN1CCC2CCCCC2 269982a_100000181395_100011273959 [0,0,0,2,0,0|2,0,0]=4 11854 B18R2.7138 NC(=O)C1CCCCN1CCC2CCCCC2 270004a_100000181395_100011713444 [0,0,0,2,0,0|2,0,0]=4 11855 B18R2.7138 NC(=O)C1CCCCN1CCC2CCCCC2 34a_100000181395_100011209188 [0,0,0,2,0,0|2,0,0]=4 11856 B18R2.7138 O=C(O)C1CCSCN1CCC2CCCCC2 269956a_100015185162_100011273959 [0,0,0,2,0,0|2,0,0]=4 11857 B18R2.7138 O=C(O)C1CSCCN1CCC2CCCCC2 269956a_100011346106_100011273959 [0,0,0,2,0,0|2,0,0]=4 11858 B18R2.7138 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCCCC2 269956a_100009816435_100000211423 [0,0,0,2,0,0|1,0,0]=3 11859 B18R2.7138 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCCCO2 269956a_100009816435_100000211543 [0,0,0,2,0,0|2,0,0]=4 11860 B18R2.7138 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCCOC2 269956a_100009816435_100000741521 [0,0,0,2,0,0|2,0,0]=4 11861 B18R2.7138 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCOCC2 269956a_100009816435_100000754603 [0,0,0,2,0,0|2,0,0]=4 11862 B18R2.7138 O=C(O)[C@H]1CCCCN1CCC2CCCCC2 269956a_100000763471_100011273959 [0,0,0,2,0,0|1,0,0]=3 11863 B18R2.7138 O=C(O)[C@H]1CCCCN1CCC2CCOCC2 269956a_100000763471_100011934994 [0,0,0,2,0,0|2,0,0]=4 11864 B18R2.7138 O=C(O)[C@H]1CCCCN1CCN2CCCCC2 269956a_100000763471_100000739454 [0,0,0,2,0,0|2,0,0]=4 11865 B18R2.7138 O=C(O)[C@H]1CCCCN1COC2CCCCC2 269956a_100000763471_100011935260 [0,0,0,2,0,0|2,0,0]=4 11866 B18R2.7138 O=C(O)[C@H]1COCCN1CCC2CCCCC2 269956a_100016993156_100011273959 [0,0,0,2,0,0|2,0,0]=4 11867 B18R2.7165 NC(=O)[C@@H]1CCCN1CCCC2CCCCC2 2230a_100000003125_100011713725 [0,0,0,2,0,0|2,0,0]=4 11868 B18R2.7165 O=C(O)C1SCCN1CCCC2CCCCC2 269956a_100000035718_100011713725 [0,0,0,2,0,0|2,0,0]=4 11869 B18R2.7165 O=C(O)[C@@H]1CCCN1CCCC2CCCCC2 269956a_100000743916_100011713725 [0,0,0,2,0,0|1,0,0]=3 11870 B18R2.7165 O=C(O)[C@@H]1CCCN1CCCN2CCCCC2 269956a_100000743916_100000007876 [0,0,0,2,0,0|2,0,0]=4 11871 B18R2.7165 O=C(O)[C@@H]1CCCN1CCOC2CCCCC2 269956a_100000743916_100011211530 [0,0,0,2,0,0|2,0,0]=4 11872 B18R2.7165 O=C(O)[C@@H]1CSCN1CCCC2CCCCC2 269956a_100000743924_100011713725 [0,0,0,2,0,0|2,0,0]=4 11873 B18R2.7181 NC(=O)CC1CCCCN1CC2CCCCC2 2230a_100015184752_100000211423 [0,0,0,2,0,0|2,0,0]=4 11874 B18R2.7181 NC(=O)CC1CCCCN1CC2CCCCC2 269982a_100015184752_100000211423 [0,0,0,2,0,0|2,0,0]=4 11875 B18R2.7181 NC(=O)CC1CCCCN1CC2CCCCC2 34a_100015184752_100000211423 [0,0,0,2,0,0|2,0,0]=4 11876 B18R2.9897 CC(=O)CCCCNCC1CC12CCCCC2 34a_100015185624_100009817362 [0,0,0,2,0,0|2,0,0]=4 11877 B18R2.3281 CCC1CCCC1N2CCCCC2CC(=O)N 270004a_100015184752_100000749056 [0,0,0,2,0,0|2,0,0]=4 11878 B18R2.71620 CC(=O)CCCCOC1CCC2CCCC2C1 34a_100000073670_100009817362 [0,0,0,2,0,0|2,0,0]=4 11879 B18R2.71620 CC(=O)CCCCOC1CCC2CCCC2C1 7a_100000073670_100000735457 [0,0,0,2,0,0|2,0,0]=4 11880 B18R2.3102 CCC1CCCCC1N2CCCCC2C(=O)N 270004a_100000181395_100000757040 [0,0,0,2,0,0|2,0,0]=4 11881 B18R2.8505 CCCCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000210211 [0,0,0,2,0,0|1,0,0]=3 11882 B18R2.8505 CCOCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000739092 [0,0,0,2,0,0|2,0,0]=4 11883 B18R2.8505 COCCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000233755 [0,0,0,2,0,0|2,0,0]=4 11884 B18R2.8505 CSCCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000212216 [0,0,0,2,0,0|2,0,0]=4 11885 B18R2.8505 O=C(O)C1CCC2CCCCC2N1CCCF 269956a_100000765686_100011934791 [0,0,0,2,0,0|2,0,0]=4 11886 B18R2.8505 O=C(O)C1CCC2CCCCC2N1CCCO 269956a_100000765686_100011215043 [0,0,0,2,0,0|2,0,0]=4 11887 B18R2.33897 CC(=O)CCCCN1CCCC1C2CCCC2 269982a_100000743374_100000735457 [0,0,0,2,0,0|2,0,0]=4 11888 B18R2.33897 CC(=O)CCCCN1CCCC1C2CCCC2 34a_100000743374_100009817362 [0,0,0,2,0,0|2,0,0]=4 11889 B18R2.33897 NC(=O)CCCNC1CCCC1C2CCCC2 269862a_100000739312_100011216175 [0,0,0,2,0,0|2,0,0]=4 11890 B18R2.520232 O=C1CC(C1)CNCCC2CCCCCCC2 2230a_100011532352_100009874392 [0,0,0,2,0,0|2,0,0]=4 11891 B18R2.9915 NC(=O)CC1CCCCN1CCC2CCCC2 2230a_100015184752_100000760354 [0,0,0,2,0,0|2,0,0]=4 11892 B18R2.9915 NC(=O)CC1CCCCN1CCC2CCCC2 269982a_100015184752_100000760354 [0,0,0,2,0,0|2,0,0]=4 11893 B18R2.9915 NC(=O)CC1CCCCN1CCC2CCCC2 34a_100015184752_100000760354 [0,0,0,2,0,0|2,0,0]=4 11894 B18R2.101120 NC(=O)CC1CCCCN1C2CCCCCC2 269982a_100015184752_100011217769 [0,0,0,2,0,0|2,0,0]=4 11895 B18R2.101120 NC(=O)CC1CCCCN1C2CCCCCC2 270004a_100015184752_100000210131 [0,0,0,2,0,0|2,0,0]=4 11896 B18R2.101120 NC(=O)CC1CCCCN1C2CCCCCC2 34a_100015184752_100011217769 [0,0,0,2,0,0|2,0,0]=4 11897 B18R2.30129 CCCCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210757 [0,0,0,2,0,0|1,0,0]=3 11898 B18R2.30129 CCCCOCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100011995733 [0,0,0,2,0,0|2,0,0]=4 11899 B18R2.30129 CCCOCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100011215938 [0,0,0,2,0,0|2,0,0]=4 11900 B18R2.30129 CCOCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100012232248 [0,0,0,2,0,0|2,0,0]=4 11901 B18R2.30129 COCCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000730899 [0,0,0,2,0,0|2,0,0]=4 11902 B18R2.30129 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCCF 269956a_100015758391_100000729378 [0,0,0,2,0,0|2,0,0]=4 11903 B18R2.30129 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCCO 269956a_100015758391_100000746330 [0,0,0,2,0,0|2,0,0]=4 11904 B18R2.72428 O=C(O)[C@@H]1CCCN1CCN2CCCCCC2 269956a_100000743916_100000722644 [0,0,0,2,0,0|2,0,0]=4 11905 B18R2.72441 NC(=O)[C@@H]1CCCN1C2CCCCCCCC2 270004a_100000003125_100000038600 [0,0,0,2,0,0|2,0,0]=4 11906 B18R2.71001 O=C(O)C1CCCCCN1CCC2CCCC2 269956a_100000758484_100000760354 [0,0,0,2,0,0|1,0,0]=3 11907 B18R2.71001 O=C(O)C1CCCCCN1CCN2CCCC2 269956a_100000758484_100000004467 [0,0,0,2,0,0|2,0,0]=4 11908 B18R2.561080 O=C(O)C1CCCCCN1C2CCCCCC2 269956a_100000758484_100011217769 [0,0,0,2,0,0|1,0,0]=3 11909 B18R2.6202 CN1CCCC1CCN2CCCC[C@@H]2C(=O)O 269956a_100000763471_100000005710 [0,0,0,2,0,0|2,0,0]=4 11910 B18R2.7145 NC(=O)C1CCCCN1CCCC2CCCC2 2230a_100000181395_100011713738 [0,0,0,2,0,0|2,0,0]=4 11911 B18R2.7145 NC(=O)C1CCCCN1CCCC2CCCC2 269982a_100000181395_100011713738 [0,0,0,2,0,0|2,0,0]=4 11912 B18R2.7145 NC(=O)C1CCCCN1CCCC2CCCC2 34a_100000181395_100011713738 [0,0,0,2,0,0|2,0,0]=4 11913 B18R2.7145 O=C(O)C1CCSCN1CCCC2CCCC2 269956a_100015185162_100011713738 [0,0,0,2,0,0|2,0,0]=4 11914 B18R2.7145 O=C(O)C1CSCCN1CCCC2CCCC2 269956a_100011346106_100011713738 [0,0,0,2,0,0|2,0,0]=4 11915 B18R2.7145 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CCCC2 269956a_100009816435_100000760354 [0,0,0,2,0,0|1,0,0]=3 11916 B18R2.7145 O=C(O)[C@@H]1CCCC[C@H]1NCCN2CCCC2 269956a_100009816435_100000004467 [0,0,0,2,0,0|2,0,0]=4 11917 B18R2.7145 O=C(O)[C@H]1CCCCN1CCCC2CCCC2 269956a_100000763471_100011713738 [0,0,0,2,0,0|1,0,0]=3 11918 B18R2.7145 O=C(O)[C@H]1CCCCN1CCCN2CCCC2 269956a_100000763471_100011445909 [0,0,0,2,0,0|2,0,0]=4 11919 B18R2.7145 O=C(O)[C@H]1COCCN1CCCC2CCCC2 269956a_100016993156_100011713738 [0,0,0,2,0,0|2,0,0]=4 11920 B18R2.72132 NC(=O)C1CCCCN1CC2CCCCCC2 2230a_100000181395_200000696569 [0,0,0,2,0,0|2,0,0]=4 11921 B18R2.72132 NC(=O)C1CCCCN1CC2CCCCCC2 269982a_100000181395_200000696569 [0,0,0,2,0,0|2,0,0]=4 11922 B18R2.72132 NC(=O)C1CCCCN1CC2CCCCCC2 34a_100000181395_200000696569 [0,0,0,2,0,0|2,0,0]=4 11923 B18R2.72132 O=C(O)C1CCSCN1CC2CCCCCC2 269956a_100015185162_200000696569 [0,0,0,2,0,0|2,0,0]=4 11924 B18R2.72132 O=C(O)C1CSCCN1CC2CCCCCC2 269956a_100011346106_200000696569 [0,0,0,2,0,0|2,0,0]=4 11925 B18R2.72132 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCCCC2 269956a_100009816435_100011217769 [0,0,0,2,0,0|1,0,0]=3 11926 B18R2.72132 O=C(O)[C@H]1CCCCN1CC2CCCCCC2 269956a_100000763471_200000696569 [0,0,0,2,0,0|1,0,0]=3 11927 B18R2.72132 O=C(O)[C@H]1COCCN1CC2CCCCCC2 269956a_100016993156_200000696569 [0,0,0,2,0,0|2,0,0]=4 11928 B18R2.72178 NC(=O)C1CCCCN1C2CCCCCCC2 270004a_100000181395_100000210524 [0,0,0,2,0,0|2,0,0]=4 11929 B18R2.70982 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCCC2 269956a_200049070474_100000179811 [0,0,0,2,0,0|1,0,0]=3 11930 B18R2.70982 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCOC2 269956a_200049070474_100000731011 [0,0,0,2,0,0|2,0,0]=4 11931 B18R2.561344 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CCC2 269956a_200049070474_100000763275 [0,0,0,2,0,0|1,0,0]=3 11932 B18R2.561344 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CCO2 269956a_200049070474_100000103362 [0,0,0,2,0,0|2,0,0]=4 11933 B18R2.561344 O=C(O)[C@H]1CCCCCC[C@H]1NCC2COC2 269956a_200049070474_100010264016 [0,0,0,2,0,0|2,0,0]=4 11934 B18R2.561343 O=C(O)[C@H]1CCCCCC[C@H]1NCCC2CC2 269956a_200049070474_100000694398 [0,0,0,2,0,0|1,0,0]=3 11935 B18R2.561343 O=C(O)[C@H]1CCCCCC[C@H]1NCCC2CO2 269956a_200049070474_100000732470 [0,0,0,2,0,0|2,0,0]=4