0 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,0,0,0,0,0|2,0,2]=4 1 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,0,0,0,0,0|2,0,2]=4 2 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,0,0,0,0,0|1,0,3]=4 3 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,0,0,0,0,0|2,0,2]=4 4 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,0,0,0,0,0|2,0,2]=4 6 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,0,0,0,0,0|2,0,2]=4 7 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,0,0,0,0,0|2,0,2]=4 8 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,0,0,0,0,0|2,0,2]=4 9 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,0,0,0,0,0|2,0,2]=4 10 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,0,0,0,0,0|2,0,2]=4 11 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,0,0,0,0,0|2,0,2]=4 12 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,0,0,0,0,0|2,0,2]=4 13 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,0,0,0,0,0|2,0,2]=4 14 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,0,0,0,0,0|2,0,2]=4 15 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,0,0,0,0,0|2,0,2]=4 16 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,0,0,0,0,0|2,0,2]=4 17 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,0,0,0,0,0|2,0,2]=4 18 B15R0.164 C#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100012276617 [0,0,0,0,0,0|2,0,2]=4 19 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,0,0,0,0,0|2,0,2]=4 20 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,0,0,0,0,0|2,0,2]=4 21 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,0,0,0,0,0|2,0,2]=4 22 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,0,0,0,0,0|2,0,2]=4 23 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,0,0,0,0,0|2,0,2]=4 24 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,0,0,0,0,0|2,0,2]=4 25 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,0,0,0,0,0|2,0,2]=4 26 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,0,0,0,0,0|2,0,2]=4 27 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,0,0,0,0,0|2,0,2]=4 28 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,0,0,0,0,0|2,0,2]=4 29 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,0,0,0,0,0|1,0,3]=4 30 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,0,0,0,0,0|2,0,2]=4 31 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,0,0,0,0,0|2,0,2]=4 32 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,0,0,0,0,0|4,0,0]=4 33 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,0,0,0,0,0|3,0,0]=3 34 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,0,0,0,0,0|3,0,0]=3 35 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,0,0,0,0,0|4,0,0]=4 36 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,0,0,0,0,0|4,0,0]=4 37 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,0,0,0,0,0|4,0,0]=4 38 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,0,0,0,0,0|4,0,0]=4 39 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,0,0,0,0,0|4,0,0]=4 40 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,0,0,0,0,0|4,0,0]=4 41 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,0,0,0,0,0|4,0,0]=4 42 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,0,0,0,0,0|4,0,0]=4 43 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,0,0,0,0,0|3,0,0]=3 44 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,0,0,0,0,0|3,0,0]=3 45 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,0,0,0,0,0|4,0,0]=4 46 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,0,0,0,0,0|4,0,0]=4 47 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,0,0,0,0,0|4,0,0]=4 48 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,0,0,0,0,0|4,0,0]=4 49 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,0,0,0,0,0|4,0,0]=4 50 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,0,0,0,0,0|4,0,0]=4 51 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,0,0,0,0,0|4,0,0]=4 52 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,0,0,0,0,0|4,0,0]=4 53 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,0,0,0,0,0|3,0,0]=3 54 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,0,0,0,0,0|3,0,0]=3 55 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,0,0,0,0,0|4,0,0]=4 56 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,0,0,0,0,0|4,0,0]=4 57 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,0,0,0,0,0|4,0,0]=4 58 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,0,0,0,0,0|4,0,0]=4 59 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,0,0,0,0,0|4,0,0]=4 60 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,0,0,0,0,0|4,0,0]=4 61 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,0,0,0,0,0|4,0,0]=4 62 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,0,0,0,0,0|4,0,0]=4 63 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,0,0,0,0,0|2,0,2]=4 64 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,0,0,0,0,0|2,0,2]=4 65 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,0,0,0,0,0|2,0,2]=4 66 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,0,0,0,0,0|1,0,2]=3 67 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,0,0,0,0,0|1,0,3]=4 68 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,0,0,0,0,0|2,0,2]=4 69 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,0,0,0,0,0|2,0,2]=4 70 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,0,0,0,0,0|2,0,2]=4 71 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,0,0,0,0,0|1,0,3]=4 72 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,0,0,0,0,0|2,0,2]=4 73 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,0,0,0,0,0|2,0,2]=4 74 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,0,0,0,0,0|1,0,3]=4 75 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,0,0,0,0,0|1,0,3]=4 76 B15R0.164 C=CCCCCCCCCNOCC(=O)O 269956a_100000106656_100011933949 [0,0,0,0,0,0|2,0,2]=4 77 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,0,0,0,0,0|2,0,2]=4 78 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,0,0,0,0,0|2,0,2]=4 79 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,0,0,0,0,0|2,0,2]=4 80 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,0,0,0,0,0|2,0,2]=4 81 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,0,0,0,0,0|2,0,2]=4 82 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,0,0,0,0,0|2,0,2]=4 83 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,0,0,0,0,0|2,0,2]=4 84 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,0,0,0,0,0|2,0,2]=4 85 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,0,0,0,0,0|2,0,2]=4 86 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,0,0,0,0,0|2,0,2]=4 87 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,0,0,0,0,0|2,0,2]=4 88 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,0,0,0,0,0|2,0,2]=4 89 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,0,0,0,0,0|2,0,2]=4 90 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,0,0,0,0,0|2,0,2]=4 91 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,0,0,0,0,0|2,0,2]=4 92 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,0,0,0,0,0|2,0,2]=4 93 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,0,0,0,0,0|2,0,2]=4 94 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,0,0,0,0,0|2,0,2]=4 95 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,0,0,0,0,0|2,0,2]=4 96 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,0,0,0,0,0|2,0,2]=4 97 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,0,0,0,0,0|2,0,2]=4 98 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,0,0,0,0,0|2,0,2]=4 99 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,0,0,0,0,0|2,0,2]=4 100 B15R0.164 C=CCCCCCCNCCOCC(=O)O 269956a_100000700818_100011215473 [0,0,0,0,0,0|2,0,2]=4 101 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,0,0,0,0,0|2,0,2]=4 102 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,0,0,0,0,0|2,0,2]=4 103 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,0,0,0,0,0|2,0,2]=4 104 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,0,0,0,0,0|2,0,2]=4 105 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,0,0,0,0,0|2,0,2]=4 106 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,0,0,0,0,0|2,0,2]=4 107 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,0,0,0,0,0|2,0,2]=4 108 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,0,0,0,0,0|2,0,2]=4 109 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,0,0,0,0,0|2,0,2]=4 110 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,0,0,0,0,0|2,0,2]=4 111 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,0,0,0,0,0|1,0,3]=4 112 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,0,0,0,0,0|2,0,2]=4 113 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,0,0,0,0,0|2,0,2]=4 114 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,0,0,0,0,0|2,0,0]=2 115 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,0,0,0,0,0|3,0,0]=3 116 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,0,0,0,0,0|3,0,0]=3 117 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,0,0,0,0,0|4,0,0]=4 118 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,0,0,0,0,0|3,0,0]=3 119 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,0,0,0,0,0|3,0,0]=3 120 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,0,0,0,0,0|3,0,0]=3 121 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,0,0,0,0,0|4,0,0]=4 122 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,0,0,0,0,0|3,0,1]=4 123 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,0,0,0,0,0|3,0,1]=4 124 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,0,0,0,0,0|3,0,0]=3 125 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,0,0,0,0,0|3,0,0]=3 126 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,0,0,0,0,0|3,0,0]=3 127 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,0,0,0,0,0|3,0,0]=3 128 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,0,0,0,0,0|3,0,0]=3 129 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,0,0,0,0,0|3,0,0]=3 130 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,0,0,0,0,0|3,0,0]=3 131 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,0,0,0,0,0|3,0,0]=3 132 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,0,0,0,0,0|3,0,0]=3 133 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,0,0,0,0,0|3,0,0]=3 134 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,0,0,0,0,0|4,0,0]=4 135 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,0,0,0,0,0|3,0,0]=3 136 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,0,0,0,0,0|3,0,0]=3 137 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,0,0,0,0,0|3,0,0]=3 138 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,0,0,0,0,0|3,0,0]=3 139 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,0,0,0,0,0|3,0,0]=3 140 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,0,0,0,0,0|3,0,0]=3 141 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,0,0,0,0,0|3,0,0]=3 142 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,0,0,0,0,0|3,0,0]=3 143 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,0,0,0,0,0|3,0,0]=3 144 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,0,0,0,0,0|4,0,0]=4 145 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,0,0,0,0,0|4,0,0]=4 146 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,0,0,0,0,0|4,0,0]=4 147 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,0,0,0,0,0|4,0,0]=4 148 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,0,0,0,0,0|4,0,0]=4 149 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,0,0,0,0,0|4,0,0]=4 150 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,0,0,0,0,0|4,0,0]=4 151 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,0,0,0,0,0|4,0,0]=4 152 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,0,0,0,0,0|4,0,0]=4 153 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,0,0,0,0,0|4,0,0]=4 154 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,0,0,0,0,0|4,0,0]=4 155 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,0,0,0,0,0|4,0,0]=4 156 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,0,0,0,0,0|4,0,0]=4 157 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,0,0,0,0,0|4,0,0]=4 158 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,0,0,0,0,0|4,0,0]=4 159 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,0,0,0,0,0|4,0,0]=4 160 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,0,0,0,0,0|4,0,0]=4 161 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,0,0,0,0,0|4,0,0]=4 162 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,0,0,0,0,0|4,0,0]=4 163 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,0,0,0,0,0|4,0,0]=4 164 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,0,0,0,0,0|4,0,0]=4 165 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,0,0,0,0,0|4,0,0]=4 166 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,0,0,0,0,0|4,0,0]=4 167 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,0,0,0,0,0|4,0,0]=4 168 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,0,0,0,0,0|4,0,0]=4 169 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,0,0,0,0,0|4,0,0]=4 170 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,0,0,0,0,0|4,0,0]=4 171 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,0,0,0,0,0|4,0,0]=4 172 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,0,0,0,0,0|4,0,0]=4 173 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,0,0,0,0,0|4,0,0]=4 174 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,0,0,0,0,0|4,0,0]=4 175 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,0,0,0,0,0|4,0,0]=4 176 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,0,0,0,0,0|4,0,0]=4 177 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,0,0,0,0,0|4,0,0]=4 178 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,0,0,0,0,0|4,0,0]=4 179 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,0,0,0,0,0|4,0,0]=4 180 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,0,0,0,0,0|4,0,0]=4 181 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,0,0,0,0,0|4,0,0]=4 182 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,0,0,0,0,0|4,0,0]=4 183 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,0,0,0,0,0|4,0,0]=4 184 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,0,0,0,0,0|4,0,0]=4 185 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,0,0,0,0,0|4,0,0]=4 186 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,0,0,0,0,0|4,0,0]=4 187 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,0,0,0,0,0|4,0,0]=4 188 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,0,0,0,0,0|4,0,0]=4 189 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,0,0,0,0,0|4,0,0]=4 190 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,0,0,0,0,0|4,0,0]=4 191 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,0,0,0,0,0|4,0,0]=4 192 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,0,0,0,0,0|4,0,0]=4 193 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,0,0,0,0,0|4,0,0]=4 194 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,0,0,0,0,0|4,0,0]=4 195 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,0,0,0,0,0|4,0,0]=4 196 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,0,0,0,0,0|4,0,0]=4 197 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,0,0,0,0,0|4,0,0]=4 198 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,0,0,0,0,0|4,0,0]=4 199 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,0,0,0,0,0|4,0,0]=4 200 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,0,0,0,0,0|4,0,0]=4 201 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,0,0,0,0,0|4,0,0]=4 202 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,0,0,0,0,0|4,0,0]=4 203 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,0,0,0,0,0|4,0,0]=4 204 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,0,0,0,0,0|4,0,0]=4 205 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,0,0,0,0,0|4,0,0]=4 206 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,0,0,0,0,0|4,0,0]=4 207 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,0,0,0,0,0|4,0,0]=4 208 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,0,0,0,0,0|4,0,0]=4 209 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,0,0,0,0,0|4,0,0]=4 210 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,0,0,0,0,0|4,0,0]=4 211 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,0,0,0,0,0|4,0,0]=4 212 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,0,0,0,0,0|4,0,0]=4 213 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,0,0,0,0,0|4,0,0]=4 214 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,0,0,0,0,0|4,0,0]=4 215 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,0,0,0,0,0|4,0,0]=4 216 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,0,0,0,0,0|4,0,0]=4 217 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,0,0,0,0,0|4,0,0]=4 218 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,0,0,0,0,0|4,0,0]=4 219 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,0,0,0,0,0|4,0,0]=4 220 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,0,0,0,0,0|4,0,0]=4 221 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,0,0,0,0,0|4,0,0]=4 222 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,0,0,0,0,0|4,0,0]=4 223 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,0,0,0,0,0|4,0,0]=4 224 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,0,0,0,0,0|4,0,0]=4 225 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,0,0,0,0,0|4,0,0]=4 226 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,0,0,0,0,0|4,0,0]=4 227 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,0,0,0,0,0|4,0,0]=4 228 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,0,0,0,0,0|4,0,0]=4 229 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,0,0,0,0,0|4,0,0]=4 230 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,0,0,0,0,0|4,0,0]=4 231 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,0,0,0,0,0|4,0,0]=4 232 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,0,0,0,0,0|4,0,0]=4 233 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,0,0,0,0,0|4,0,0]=4 234 B15R0.164 CC(O)CCCNCCCCCCCCO 2230a_102515433106_200000718107 [0,0,0,0,0,0|3,0,1]=4 235 B15R0.164 CC(O)CCCNCCCCCCCCO 34a_102515433106_200000718107 [0,0,0,0,0,0|3,0,1]=4 236 B15R0.164 CC(O)CCCOCCCCCCCCBr 34a_100009813846_200000718107 [0,0,0,0,0,0|3,0,1]=4 237 B15R0.164 CC(O)CCCOCCCCCCCCBr 7a_100009813846_200000718107 [0,0,0,0,0,0|3,0,1]=4 238 B15R0.164 CC(O)CCCOCCCCCCCCCl 34a_100000033203_200000718107 [0,0,0,0,0,0|3,0,1]=4 239 B15R0.164 CC(O)CCCOCCCCCCCCCl 7a_100000033203_200000718107 [0,0,0,0,0,0|3,0,1]=4 240 B15R0.164 CC(O)CCCOCCCCCCCCN 34a_102515433106_200000718107 [0,0,0,0,0,0|3,0,1]=4 241 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_100000033203_200000718107 [0,0,0,0,0,0|3,0,1]=4 242 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_200000718107_100000033203 [0,0,0,0,0,0|3,0,1]=4 243 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_100000078944_100012276601 [0,0,0,0,0,0|3,0,1]=4 244 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_200000755665_100009813782 [0,0,0,0,0,0|3,0,1]=4 245 B15R0.164 CC(O)CCNCCCCCCCCCO 34a_100000078944_100012276601 [0,0,0,0,0,0|3,0,1]=4 246 B15R0.164 CC(O)CCOCCCCCCCCCBr 34a_100009813782_100012276601 [0,0,0,0,0,0|3,0,1]=4 247 B15R0.164 CC(O)CCOCCCCCCCCCBr 7a_100009813782_100012276601 [0,0,0,0,0,0|3,0,1]=4 248 B15R0.164 CC(O)CCOCCCCCCCCCCl 34a_100009868337_100012276601 [0,0,0,0,0,0|3,0,1]=4 249 B15R0.164 CC(O)CCOCCCCCCCCCCl 7a_100009868337_100012276601 [0,0,0,0,0,0|3,0,1]=4 250 B15R0.164 CC(O)CCOCCCCCCCCCN 34a_100000078944_100012276601 [0,0,0,0,0,0|3,0,1]=4 251 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100009813782_100012276601 [0,0,0,0,0,0|3,0,1]=4 252 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100012276601_100009813782 [0,0,0,0,0,0|3,0,1]=4 253 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218427 [0,0,0,0,0,0|3,0,1]=4 254 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000210904_100009813290 [0,0,0,0,0,0|3,0,1]=4 255 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000066964_100011218427 [0,0,0,0,0,0|3,0,1]=4 256 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000210904_100009813290 [0,0,0,0,0,0|3,0,1]=4 257 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,0,0,0,0,0|3,0,1]=4 258 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,0,0,0,0,0|3,0,1]=4 259 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,0,0,0,0,0|3,0,1]=4 260 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,0,0,0,0,0|3,0,1]=4 261 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,0,0,0,0,0|3,0,1]=4 262 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100009813290_100011218427 [0,0,0,0,0,0|3,0,1]=4 263 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100011218427_200000033068 [0,0,0,0,0,0|3,0,1]=4 264 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 34a_100016287902_100009817443 [0,0,0,0,0,0|2,0,2]=4 265 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 7a_100016287902_100009817443 [0,0,0,0,0,0|2,0,2]=4 266 B15R0.164 CC/C=C\CCCCCNCCCC(=O)N 269862a_100000739312_100016288537 [0,0,0,0,0,0|2,0,2]=4 267 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 34a_100016268722_100000685027 [0,0,0,0,0,0|2,0,2]=4 268 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 7a_100016268722_100011215641 [0,0,0,0,0,0|2,0,2]=4 269 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 34a_100016268722_100102525003 [0,0,0,0,0,0|2,0,2]=4 270 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 7a_100016268722_100102525003 [0,0,0,0,0,0|2,0,2]=4 271 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 34a_100016287862_100009817362 [0,0,0,0,0,0|2,0,2]=4 272 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 7a_100016287862_100000735457 [0,0,0,0,0,0|2,0,2]=4 273 B15R0.164 CCC#CCCCCCCNOCC(=O)O 269956a_100000106656_200000036426 [0,0,0,0,0,0|2,0,2]=4 274 B15R0.164 CCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000036426 [0,0,0,0,0,0|2,0,2]=4 275 B15R0.164 CCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000036426 [0,0,0,0,0,0|2,0,2]=4 276 B15R0.164 CCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000036426 [0,0,0,0,0,0|2,0,2]=4 277 B15R0.164 CCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000036426 [0,0,0,0,0,0|2,0,2]=4 278 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000036426 [0,0,0,0,0,0|2,0,2]=4 279 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_200000036426_100000053229 [0,0,0,0,0,0|2,0,2]=4 280 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000036426 [0,0,0,0,0,0|2,0,2]=4 281 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_200000036426_100000744528 [0,0,0,0,0,0|2,0,2]=4 282 B15R0.164 CCCC#CCCOCCCCCC(=O)N 34a_100000042726_100009817443 [0,0,0,0,0,0|2,0,2]=4 283 B15R0.164 CCCC#CCCOCCCCCC(=O)N 7a_100000042726_100009817443 [0,0,0,0,0,0|2,0,2]=4 284 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [0,0,0,0,0,0|2,0,2]=4 285 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 34a_200020645093_100000731001 [0,0,0,0,0,0|2,0,2]=4 286 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 7a_200020645093_100000744528 [0,0,0,0,0,0|2,0,2]=4 287 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 34a_200016272032_100009817443 [0,0,0,0,0,0|2,0,2]=4 288 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 7a_200016272032_100009817443 [0,0,0,0,0,0|2,0,2]=4 289 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [0,0,0,0,0,0|2,0,2]=4 290 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [0,0,0,0,0,0|2,0,2]=4 291 B15R0.164 CCCCC#CCCCCOCCC(=O)C 7a_200000066234_100000053229 [0,0,0,0,0,0|2,0,2]=4 292 B15R0.164 CCCCC#CCCCCOCCC(=O)N 34a_200000066234_100000731001 [0,0,0,0,0,0|2,0,2]=4 293 B15R0.164 CCCCC#CCCCCOCCC(=O)N 7a_200000066234_100000744528 [0,0,0,0,0,0|2,0,2]=4 294 B15R0.164 CCCCC#CCCCNCCCC(=O)N 34a_100000739312_200000047210 [0,0,0,0,0,0|2,0,2]=4 295 B15R0.164 CCCCC#CCCCOCCCC(=O)C 34a_100000759063_200000047210 [0,0,0,0,0,0|2,0,2]=4 296 B15R0.164 CCCCC#CCCCOCCCC(=O)C 7a_100000759063_200000047210 [0,0,0,0,0,0|2,0,2]=4 297 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_100011215641_200000047210 [0,0,0,0,0,0|2,0,2]=4 298 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_200000047210_100011215641 [0,0,0,0,0,0|2,0,2]=4 299 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_100102525003_200000047210 [0,0,0,0,0,0|2,0,2]=4 300 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_200000047210_100102525003 [0,0,0,0,0,0|2,0,2]=4 301 B15R0.164 CCCCC#CCCOCCCCC(=O)C 34a_100000037610_100009817362 [0,0,0,0,0,0|2,0,2]=4 302 B15R0.164 CCCCC#CCCOCCCCC(=O)C 7a_100000037610_100000735457 [0,0,0,0,0,0|2,0,2]=4 303 B15R0.164 CCCCC#CCOCCCCCC(=O)N 34a_200000034558_100009817443 [0,0,0,0,0,0|2,0,2]=4 304 B15R0.164 CCCCC#CCOCCCCCC(=O)N 7a_200000034558_100009817443 [0,0,0,0,0,0|2,0,2]=4 305 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [0,0,0,0,0,0|2,0,2]=4 306 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [0,0,0,0,0,0|2,0,2]=4 307 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [0,0,0,0,0,0|2,0,2]=4 308 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 34a_100020655193_100000731001 [0,0,0,0,0,0|2,0,2]=4 309 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 7a_100020655193_100000744528 [0,0,0,0,0,0|2,0,2]=4 310 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [0,0,0,0,0,0|2,0,2]=4 311 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [0,0,0,0,0,0|2,0,2]=4 312 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 34a_100016277358_100102525003 [0,0,0,0,0,0|2,0,2]=4 313 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 7a_100016277358_100102525003 [0,0,0,0,0,0|2,0,2]=4 314 B15R0.164 CCCCCC#CCCOCCCC(=O)C 34a_200000042877_100000685027 [0,0,0,0,0,0|2,0,2]=4 315 B15R0.164 CCCCCC#CCCOCCCC(=O)C 7a_200000042877_100011215641 [0,0,0,0,0,0|2,0,2]=4 316 B15R0.164 CCCCCC#CCCOCCCC(=O)N 34a_200000042877_100102525003 [0,0,0,0,0,0|2,0,2]=4 317 B15R0.164 CCCCCC#CCCOCCCC(=O)N 7a_200000042877_100102525003 [0,0,0,0,0,0|2,0,2]=4 318 B15R0.164 CCCCCC#CCNCCCCC(=O)N 34a_100000696515_100009816472 [0,0,0,0,0,0|2,0,2]=4 319 B15R0.164 CCCCCC#CCNCCOCC(=O)O 269956a_100000700818_100009816472 [0,0,0,0,0,0|2,0,2]=4 320 B15R0.164 CCCCCC#CCOCCCCC(=O)C 34a_200000033628_100009817362 [0,0,0,0,0,0|2,0,2]=4 321 B15R0.164 CCCCCC#CCOCCCCC(=O)C 7a_200000033628_100000735457 [0,0,0,0,0,0|2,0,2]=4 322 B15R0.164 CCCCCC#CCOCCCCC(=O)N 34a_100012022536_100009816472 [0,0,0,0,0,0|2,0,2]=4 323 B15R0.164 CCCCCC#CCOCCCCC(=O)N 7a_100012022536_100009816472 [0,0,0,0,0,0|2,0,2]=4 324 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100000735457_100009816472 [0,0,0,0,0,0|2,0,2]=4 325 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100009816472_100000735457 [0,0,0,0,0,0|2,0,2]=4 326 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [0,0,0,0,0,0|2,0,2]=4 327 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [0,0,0,0,0,0|2,0,2]=4 328 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [0,0,0,0,0,0|2,0,2]=4 329 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [0,0,0,0,0,0|2,0,2]=4 330 B15R0.164 CCCCCCC#CCCOCCC(=O)C 7a_200000033163_100000053229 [0,0,0,0,0,0|2,0,2]=4 331 B15R0.164 CCCCCCC#CCCOCCC(=O)N 34a_200000033163_100000731001 [0,0,0,0,0,0|2,0,2]=4 332 B15R0.164 CCCCCCC#CCCOCCC(=O)N 7a_200000033163_100000744528 [0,0,0,0,0,0|2,0,2]=4 333 B15R0.164 CCCCCCC#CCOCCCC(=O)C 34a_200000037284_100000685027 [0,0,0,0,0,0|2,0,2]=4 334 B15R0.164 CCCCCCC#CCOCCCC(=O)C 7a_200000037284_100011215641 [0,0,0,0,0,0|2,0,2]=4 335 B15R0.164 CCCCCCC#CCOCCCC(=O)N 34a_200000037284_100102525003 [0,0,0,0,0,0|2,0,2]=4 336 B15R0.164 CCCCCCC#CCOCCCC(=O)N 7a_200000037284_100102525003 [0,0,0,0,0,0|2,0,2]=4 337 B15R0.164 CCCCCCCC#CCOCCC(=O)C 7a_200000061759_100000053229 [0,0,0,0,0,0|2,0,2]=4 338 B15R0.164 CCCCCCCC#CCOCCC(=O)N 34a_200000061759_100000731001 [0,0,0,0,0,0|2,0,2]=4 339 B15R0.164 CCCCCCCC#CCOCCC(=O)N 7a_200000061759_100000744528 [0,0,0,0,0,0|2,0,2]=4 340 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,0,0,0,0,0|2,0,2]=4 341 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,0,0,0,0,0|2,0,2]=4 342 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,0,0,0,0,0|1,0,3]=4 343 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,0,0,0,0,0|3,0,1]=4 344 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [0,0,0,0,0,0|3,0,0]=3 345 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [0,0,0,0,0,0|3,0,0]=3 346 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [0,0,0,0,0,0|3,0,0]=3 347 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,0,0,0,0,0|2,0,0]=2 348 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,0,0,0,0,0|2,0,0]=2 349 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,0,0,0,0,0|2,0,0]=2 350 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,0,0,0,0,0|2,0,0]=2 351 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [0,0,0,0,0,0|3,0,1]=4 352 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [0,0,0,0,0,0|3,0,1]=4 353 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [0,0,0,0,0,0|3,0,1]=4 354 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [0,0,0,0,0,0|3,0,1]=4 355 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,0,0,0,0,0|2,0,0]=2 356 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,0,0,0,0,0|2,0,0]=2 357 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,0,0,0,0,0|2,0,0]=2 358 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,0,0,0,0,0|1,0,0]=1 359 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,0,0,0,0,0|1,0,1]=2 360 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215454 [0,0,0,0,0,0|3,0,1]=4 361 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_200011215754_100000210760 [0,0,0,0,0,0|3,0,1]=4 362 B15R0.164 CCCCCCCCCCCNCC(C)C 270004a_200011215754_100000210432 [0,0,0,0,0,0|3,0,1]=4 363 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_100000210953_100011215454 [0,0,0,0,0,0|3,0,1]=4 364 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_200011215754_100000210624 [0,0,0,0,0,0|3,0,1]=4 365 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [0,0,0,0,0,0|2,0,1]=3 366 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [0,0,0,0,0,0|2,0,1]=3 367 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [0,0,0,0,0,0|2,0,1]=3 368 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [0,0,0,0,0,0|2,0,1]=3 369 B15R0.164 CCCCCCCCCCCNCC(F)F 2230a_200011215754_100011934356 [0,0,0,0,0,0|3,0,1]=4 370 B15R0.164 CCCCCCCCCCCNCC(F)F 34a_100000765723_100011215454 [0,0,0,0,0,0|3,0,1]=4 371 B15R0.164 CCCCCCCCCCCNCC(F)F 34a_200011215754_100011934356 [0,0,0,0,0,0|3,0,1]=4 372 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [0,0,0,0,0,0|2,0,1]=3 373 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [0,0,0,0,0,0|2,0,1]=3 374 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,0,0,0,0,0|2,0,1]=3 375 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,0,0,0,0,0|2,0,0]=2 376 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,0,0,0,0,0|2,0,0]=2 377 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,0,0,0,0,0|2,0,0]=2 378 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,0,0,0,0,0|1,0,1]=2 379 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [0,0,0,0,0,0|3,0,1]=4 380 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,0,0,0,0,0|2,0,1]=3 381 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,0,0,0,0,0|2,0,1]=3 382 B15R0.164 CCCCCCCCCCCOCC(F)F 34a_100000210809_100011934356 [0,0,0,0,0,0|3,0,1]=4 383 B15R0.164 CCCCCCCCCCCOCC(F)F 34a_100000743014_100011215454 [0,0,0,0,0,0|3,0,1]=4 384 B15R0.164 CCCCCCCCCCCOCC(F)F 7a_100000210809_100011934356 [0,0,0,0,0,0|3,0,1]=4 385 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [0,0,0,0,0,0|3,0,1]=4 386 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,0,0,0,0,0|2,0,1]=3 387 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,0,0,0,0,0|2,0,1]=3 388 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,0,0,0,0,0|2,0,1]=3 389 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,0,0,0,0,0|2,0,0]=2 390 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,0,0,0,0,0|1,0,1]=2 391 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [0,0,0,0,0,0|2,0,1]=3 392 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [0,0,0,0,0,0|2,0,1]=3 393 B15R0.164 CCCCCCCCCCNCC=C(C)C 2230a_100000684558_100000761012 [0,0,0,0,0,0|3,0,1]=4 394 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000684558_100000761012 [0,0,0,0,0,0|3,0,1]=4 395 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210320 [0,0,0,0,0,0|3,0,1]=4 396 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,0,0,0,0,0|2,0,0]=2 397 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,0,0,0,0,0|2,0,0]=2 398 B15R0.164 CCCCCCCCCCNCCC(C)C 2230a_100000684558_100000210312 [0,0,0,0,0,0|3,0,1]=4 399 B15R0.164 CCCCCCCCCCNCCC(C)C 269862a_100000684558_100000185833 [0,0,0,0,0,0|3,0,1]=4 400 B15R0.164 CCCCCCCCCCNCCC(C)C 34a_100000684558_100000210312 [0,0,0,0,0,0|3,0,1]=4 401 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,0,0,0,0,0|2,0,1]=3 402 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,0,0,0,0,0|2,0,1]=3 403 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,0,0,0,0,0|2,0,1]=3 404 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,0,0,0,0,0|3,0,0]=3 405 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,0,0,0,0,0|2,0,0]=2 406 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,0,0,0,0,0|2,0,0]=2 407 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,0,0,0,0,0|2,0,0]=2 408 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,0,0,0,0,0|2,0,0]=2 409 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,0,0,0,0,0|2,0,0]=2 410 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,0,0,0,0,0|2,0,0]=2 411 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,0,0,0,0,0|2,0,0]=2 412 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,0,0,0,0,0|2,0,0]=2 413 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,0,0,0,0,0|2,0,1]=3 414 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,0,0,0,0,0|2,0,1]=3 415 B15R0.164 CCCCCCCCCCOCCC(F)F 34a_100103093639_100000210320 [0,0,0,0,0,0|3,0,1]=4 416 B15R0.164 CCCCCCCCCCOCCN(C)C 7a_100000210711_100000755713 [0,0,0,0,0,0|4,0,0]=4 417 B15R0.164 CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210320 [0,0,0,0,0,0|3,0,1]=4 418 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,0,0,0,0,0|3,0,0]=3 419 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,0,0,0,0,0|2,0,0]=2 420 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,0,0,0,0,0|2,0,0]=2 421 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,0,0,0,0,0|2,0,1]=3 422 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,0,0,0,0,0|3,0,0]=3 423 B15R0.164 CCCCCCCCCNCCC=C(C)C 2230a_100000212291_100011217483 [0,0,0,0,0,0|3,0,1]=4 424 B15R0.164 CCCCCCCCCNCCC=C(C)C 34a_100000212291_100011217483 [0,0,0,0,0,0|3,0,1]=4 425 B15R0.164 CCCCCCCCCNCCC=C(F)F 2230a_100000212291_200009816681 [0,0,0,0,0,0|3,0,1]=4 426 B15R0.164 CCCCCCCCCNCCC=C(F)F 34a_100000212291_200009816681 [0,0,0,0,0,0|3,0,1]=4 427 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,0,0,0,0,0|2,0,0]=2 428 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,0,0,0,0,0|2,0,0]=2 429 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,0,0,0,0,0|2,0,0]=2 430 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_100000212291_100011214892 [0,0,0,0,0,0|3,0,1]=4 431 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011214924 [0,0,0,0,0,0|3,0,1]=4 432 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_100000212291_100011214892 [0,0,0,0,0,0|3,0,1]=4 433 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_200000737386_100011214924 [0,0,0,0,0,0|3,0,1]=4 434 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,0,0,0,0,0|2,0,1]=3 435 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,0,0,0,0,0|2,0,1]=3 436 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,0,0,0,0,0|3,0,0]=3 437 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,0,0,0,0,0|3,0,0]=3 438 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,0,0,0,0,0|3,0,0]=3 439 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,0,0,0,0,0|3,0,0]=3 440 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,0,0,0,0,0|3,0,0]=3 441 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,0,0,0,0,0|3,0,0]=3 442 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,0,0,0,0,0|3,0,0]=3 443 B15R0.164 CCCCCCCCCOCCC=C(F)F 34a_100000210712_200009816681 [0,0,0,0,0,0|3,0,1]=4 444 B15R0.164 CCCCCCCCCOCCC=C(F)F 7a_100000210712_200009816681 [0,0,0,0,0,0|3,0,1]=4 445 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,0,0,0,0,0|2,0,0]=2 446 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,0,0,0,0,0|2,0,0]=2 447 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,0,0,0,0,0|2,0,0]=2 448 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,0,0,0,0,0|2,0,0]=2 449 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,0,0,0,0,0|2,0,0]=2 450 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,0,0,0,0,0|2,0,0]=2 451 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,0,0,0,0,0|2,0,1]=3 452 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,0,0,0,0,0|2,0,1]=3 453 B15R0.164 CCCCCCCCCOCCCN(C)C 7a_100000210712_100000757444 [0,0,0,0,0,0|4,0,0]=4 454 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,0,0,0,0,0|2,0,1]=3 455 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,0,0,0,0,0|3,0,0]=3 456 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,0,0,0,0,0|3,0,0]=3 457 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,0,0,0,0,0|3,0,0]=3 458 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,0,0,0,0,0|3,0,0]=3 459 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,0,0,0,0,0|3,0,0]=3 460 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,0,0,0,0,0|3,0,0]=3 461 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,0,0,0,0,0|3,0,0]=3 462 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,0,0,0,0,0|3,0,0]=3 463 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,0,0,0,0,0|3,0,0]=3 464 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,0,0,0,0,0|2,0,0]=2 465 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,0,0,0,0,0|2,0,0]=2 466 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,0,0,0,0,0|2,0,1]=3 467 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,0,0,0,0,0|3,0,0]=3 468 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,0,0,0,0,0|3,0,0]=3 469 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,0,0,0,0,0|3,0,0]=3 470 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,0,0,0,0,0|3,0,0]=3 471 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,0,0,0,0,0|2,0,1]=3 472 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,0,0,0,0,0|2,0,1]=3 473 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,0,0,0,0,0|2,0,0]=2 474 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,0,0,0,0,0|2,0,0]=2 475 B15R0.164 CCCCCCCCNCCCCC(C)C 2230a_100000229939_100011216152 [0,0,0,0,0,0|3,0,1]=4 476 B15R0.164 CCCCCCCCNCCCCC(C)C 34a_100000229939_100011216152 [0,0,0,0,0,0|3,0,1]=4 477 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,0,0,0,0,0|3,0,0]=3 478 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,0,0,0,0,0|3,0,0]=3 479 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [0,0,0,0,0,0|3,1,0]=4 480 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [0,0,0,0,0,0|3,1,0]=4 481 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,0,0,0,0,0|3,0,0]=3 482 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,0,0,0,0,0|3,0,0]=3 483 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,0,0,0,0,0|3,0,0]=3 484 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,0,0,0,0,0|3,0,0]=3 485 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,0,0,0,0,0|2,0,0]=2 486 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,0,0,0,0,0|2,0,1]=3 487 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,0,0,0,0,0|2,0,1]=3 488 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,0,0,0,0,0|2,0,0]=2 489 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,0,0,0,0,0|2,0,0]=2 490 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,0,0,0,0,0|2,0,0]=2 491 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,0,0,0,0,0|2,0,0]=2 492 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,0,0,0,0,0|2,0,1]=3 493 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,0,0,0,0,0|2,0,1]=3 494 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,0,0,0,0,0|3,0,0]=3 495 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,0,0,0,0,0|3,0,0]=3 496 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,0,0,0,0,0|3,0,0]=3 497 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [0,0,0,0,0,0|3,1,0]=4 498 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [0,0,0,0,0,0|3,1,0]=4 499 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,0,0,0,0,0|3,0,0]=3 500 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,0,0,0,0,0|3,0,0]=3 501 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,0,0,0,0,0|3,0,0]=3 502 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,0,0,0,0,0|3,0,0]=3 503 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,0,0,0,0,0|2,0,1]=3 504 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,0,0,0,0,0|2,0,1]=3 505 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,0,0,0,0,0|2,0,0]=2 506 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,0,0,0,0,0|2,0,0]=2 507 B15R0.164 CCCCCCCCSCCCCN(C)C 62a_100000210759_100000690147 [0,0,0,0,0,0|4,0,0]=4 508 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,0,0,0,0,0|3,0,0]=3 509 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,0,0,0,0,0|3,0,0]=3 510 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [0,0,0,0,0,0|3,1,0]=4 511 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [0,0,0,0,0,0|3,1,0]=4 512 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,0,0,0,0,0|3,0,0]=3 513 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,0,0,0,0,0|3,0,0]=3 514 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,0,0,0,0,0|3,0,0]=3 515 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,0,0,0,0,0|3,0,0]=3 516 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [0,0,0,0,0,0|2,0,1]=3 517 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,0,0,0,0,0|2,0,0]=2 518 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100000229938_100000210682 [0,0,0,0,0,0|3,0,1]=4 519 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210681 [0,0,0,0,0,0|3,0,1]=4 520 B15R0.164 CCCCCCCNCCCCCC(C)C 34a_100011290863_100000210614 [0,0,0,0,0,0|3,0,1]=4 521 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,0,0,0,0,0|3,0,0]=3 522 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,0,0,0,0,0|3,0,0]=3 523 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,0,0,0,0,0|3,0,0]=3 524 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [0,0,0,0,0,0|2,0,1]=3 525 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [0,0,0,0,0,0|2,0,1]=3 526 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,0,0,0,0,0|2,0,0]=2 527 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,0,0,0,0,0|2,0,0]=2 528 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,0,0,0,0,0|2,0,0]=2 529 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,0,0,0,0,0|2,0,0]=2 530 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,0,0,0,0,0|1,0,1]=2 531 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,0,0,0,0,0|3,0,0]=3 532 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,0,0,0,0,0|3,0,0]=3 533 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,0,0,0,0,0|3,0,0]=3 534 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,0,0,0,0,0|3,0,0]=3 535 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210272_100015694321 [0,0,0,0,0,0|3,0,1]=4 536 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210272_100015694321 [0,0,0,0,0,0|3,0,1]=4 537 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,0,0,0,0,0|3,0,0]=3 538 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,0,0,0,0,0|3,0,0]=3 539 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [0,0,0,0,0,0|4,0,0]=4 540 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [0,0,0,0,0,0|2,0,1]=3 541 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [0,0,0,0,0,0|2,0,1]=3 542 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,0,0,0,0,0|2,0,0]=2 543 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,0,0,0,0,0|2,0,0]=2 544 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,0,0,0,0,0|3,0,0]=3 545 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,0,0,0,0,0|3,0,0]=3 546 B15R0.164 CCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210614_100015694321 [0,0,0,0,0,0|3,0,1]=4 547 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,0,0,0,0,0|3,0,0]=3 548 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,0,0,0,0,0|3,0,0]=3 549 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [0,0,0,0,0,0|4,0,0]=4 550 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [0,0,0,0,0,0|4,0,0]=4 551 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [0,0,0,0,0,0|2,0,1]=3 552 B15R0.164 CCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210314 [0,0,0,0,0,0|3,0,1]=4 553 B15R0.164 CCCCCCNCCCCCCC(C)C 34a_100000211014_100000210314 [0,0,0,0,0,0|3,0,1]=4 554 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,0,0,0,0,0|3,0,0]=3 555 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,0,0,0,0,0|3,0,0]=3 556 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,0,0,0,0,0|3,0,0]=3 557 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [0,0,0,0,0,0|4,0,0]=4 558 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [0,0,0,0,0,0|2,0,1]=3 559 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [0,0,0,0,0,0|2,0,1]=3 560 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,0,0,0,0,0|3,0,0]=3 561 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,0,0,0,0,0|3,0,0]=3 562 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,0,0,0,0,0|3,0,0]=3 563 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,0,0,0,0,0|3,0,0]=3 564 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,0,0,0,0,0|3,0,0]=3 565 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,0,0,0,0,0|3,0,0]=3 566 B15R0.164 CCCCCCOCCOCCCC(C)O 34a_100000691444_200000718107 [0,0,0,0,0,0|3,0,1]=4 567 B15R0.164 CCCCCCOCCOCCCC(C)O 7a_100000691444_200000718107 [0,0,0,0,0,0|3,0,1]=4 568 B15R0.164 CCCCCCOCCOCCNC(=O)C 7a_100000691444_100000189650 [0,0,0,0,0,0|4,0,0]=4 569 B15R0.164 CCCCCCOCCOCCNC(=O)N 7a_100000691444_200000034859 [0,0,0,0,0,0|4,0,0]=4 570 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [0,0,0,0,0,0|4,0,0]=4 571 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [0,0,0,0,0,0|4,0,0]=4 572 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [0,0,0,0,0,0|4,0,0]=4 573 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [0,0,0,0,0,0|4,0,0]=4 574 B15R0.164 CCCCCCOCCOCCOC(=O)N 34a_100000691444_200011214921 [0,0,0,0,0,0|4,0,0]=4 575 B15R0.164 CCCCCCOCCOCCOC(=O)N 7a_100000691444_200011214921 [0,0,0,0,0,0|4,0,0]=4 576 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [0,0,0,0,0,0|2,0,1]=3 577 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [0,0,0,0,0,0|2,0,1]=3 578 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,0,0,0,0,0|3,0,0]=3 579 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,0,0,0,0,0|3,0,0]=3 580 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [0,0,0,0,0,0|4,0,0]=4 581 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [0,0,0,0,0,0|4,0,0]=4 582 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,0,0,0,0,0|3,0,0]=3 583 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,0,0,0,0,0|3,0,0]=3 584 B15R0.164 CCCCCNCCOCCCCB(O)O 34a_100000224656_200009817182 [0,0,0,0,0,0|3,0,1]=4 585 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,0,0,0,0,0|3,0,0]=3 586 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [0,0,0,0,0,0|4,0,0]=4 587 B15R0.164 CCCCCNCCOCCCSC(=O)C 34a_100000224656_100000038929 [0,0,0,0,0,0|4,0,0]=4 588 B15R0.164 CCCCCNCCOCCOCC(=O)N 34a_100000224656_100000076697 [0,0,0,0,0,0|4,0,0]=4 589 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,0,0,0,0,0|3,0,0]=3 590 B15R0.164 CCCCCOCCOCCCCB(O)O 34a_100011215259_200009817182 [0,0,0,0,0,0|3,0,1]=4 591 B15R0.164 CCCCCOCCOCCCCB(O)O 7a_100011215259_200009817182 [0,0,0,0,0,0|3,0,1]=4 592 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,0,0,0,0,0|3,0,0]=3 593 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,0,0,0,0,0|3,0,0]=3 594 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [0,0,0,0,0,0|4,0,0]=4 595 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [0,0,0,0,0,0|4,0,0]=4 596 B15R0.164 CCCCCOCCOCCCSC(=O)C 34a_100011215259_100000038929 [0,0,0,0,0,0|4,0,0]=4 597 B15R0.164 CCCCCOCCOCCCSC(=O)C 7a_100011215259_100000038929 [0,0,0,0,0,0|4,0,0]=4 598 B15R0.164 CCCCCOCCOCCOCC(=O)N 34a_100011215259_100000076697 [0,0,0,0,0,0|4,0,0]=4 599 B15R0.164 CCCCCOCCOCCOCC(=O)N 7a_100011215259_100000076697 [0,0,0,0,0,0|4,0,0]=4 600 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,0,0,0,0,0|3,0,0]=3 601 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,0,0,0,0,0|3,0,0]=3 602 B15R0.164 CCCCNCCCCOCCCC(C)O 34a_200011216965_200000718107 [0,0,0,0,0,0|3,0,1]=4 603 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [0,0,0,0,0,0|4,0,0]=4 604 B15R0.164 CCCCNCCCCOCCOC(=O)N 34a_200011216965_200011214921 [0,0,0,0,0,0|4,0,0]=4 605 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,0,0,0,0,0|3,0,0]=3 606 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,0,0,0,0,0|3,0,0]=3 607 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,0,0,0,0,0|3,0,0]=3 608 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,0,0,0,0,0|3,0,0]=3 609 B15R0.164 CCCCOCCCCOCCCC(C)O 34a_200000760531_200000718107 [0,0,0,0,0,0|3,0,1]=4 610 B15R0.164 CCCCOCCCCOCCCC(C)O 7a_200000760531_200000718107 [0,0,0,0,0,0|3,0,1]=4 611 B15R0.164 CCCCOCCCCOCCNC(=O)C 7a_200000760531_100000189650 [0,0,0,0,0,0|4,0,0]=4 612 B15R0.164 CCCCOCCCCOCCNC(=O)N 7a_200000760531_200000034859 [0,0,0,0,0,0|4,0,0]=4 613 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [0,0,0,0,0,0|4,0,0]=4 614 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [0,0,0,0,0,0|4,0,0]=4 615 B15R0.164 CCCCOCCCCOCCOC(=O)N 34a_200000760531_200011214921 [0,0,0,0,0,0|4,0,0]=4 616 B15R0.164 CCCCOCCCCOCCOC(=O)N 7a_200000760531_200011214921 [0,0,0,0,0,0|4,0,0]=4 617 B15R0.164 CCCCOCCCNCCCCB(O)O 2230a_200000211371_200009817182 [0,0,0,0,0,0|3,0,1]=4 618 B15R0.164 CCCCOCCCNCCCCB(O)O 34a_200000211371_200009817182 [0,0,0,0,0,0|3,0,1]=4 619 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,0,0,0,0,0|3,0,0]=3 620 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [0,0,0,0,0,0|4,0,0]=4 621 B15R0.164 CCCCOCCCNCCCSC(=O)C 2230a_200000211371_100000038929 [0,0,0,0,0,0|4,0,0]=4 622 B15R0.164 CCCCOCCCNCCCSC(=O)C 34a_200000211371_100000038929 [0,0,0,0,0,0|4,0,0]=4 623 B15R0.164 CCCCOCCCNCCOCC(=O)N 2230a_200000211371_100000076697 [0,0,0,0,0,0|4,0,0]=4 624 B15R0.164 CCCCOCCCNCCOCC(=O)N 34a_200000211371_100000076697 [0,0,0,0,0,0|4,0,0]=4 625 B15R0.164 CCCCOCCCOCCCCB(O)O 34a_200011215613_200009817182 [0,0,0,0,0,0|3,0,1]=4 626 B15R0.164 CCCCOCCCOCCCCB(O)O 7a_200011215613_200009817182 [0,0,0,0,0,0|3,0,1]=4 627 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,0,0,0,0,0|3,0,0]=3 628 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,0,0,0,0,0|3,0,0]=3 629 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [0,0,0,0,0,0|4,0,0]=4 630 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [0,0,0,0,0,0|4,0,0]=4 631 B15R0.164 CCCCOCCCOCCCSC(=O)C 34a_200011215613_100000038929 [0,0,0,0,0,0|4,0,0]=4 632 B15R0.164 CCCCOCCCOCCCSC(=O)C 7a_200011215613_100000038929 [0,0,0,0,0,0|4,0,0]=4 633 B15R0.164 CCCCOCCCOCCOCC(=O)N 34a_200011215613_100000076697 [0,0,0,0,0,0|4,0,0]=4 634 B15R0.164 CCCCOCCCOCCOCC(=O)N 7a_200011215613_100000076697 [0,0,0,0,0,0|4,0,0]=4 635 B15R0.164 CCCCOCCNCCCCNC(=O)C 2230a_200011368371_100000743108 [0,0,0,0,0,0|4,0,0]=4 636 B15R0.164 CCCCOCCNCCCCNC(=O)C 34a_200011368371_100000743108 [0,0,0,0,0,0|4,0,0]=4 637 B15R0.164 CCCCOCCOCCCCCB(O)O 34a_100000210238_200009817188 [0,0,0,0,0,0|3,0,1]=4 638 B15R0.164 CCCCOCCOCCCCCB(O)O 7a_100000210238_200009817188 [0,0,0,0,0,0|3,0,1]=4 639 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,0,0,0,0,0|3,0,0]=3 640 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,0,0,0,0,0|3,0,0]=3 641 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,0,0,0,0,0|3,0,0]=3 642 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,0,0,0,0,0|3,0,0]=3 643 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,0,0,0,0,0|2,0,1]=3 644 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [0,0,0,0,0,0|4,0,0]=4 645 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [0,0,0,0,0,0|4,0,0]=4 646 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [0,0,0,0,0,0|4,0,0]=4 647 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [0,0,0,0,0,0|4,0,0]=4 648 B15R0.164 CCCCOCCOCCCCSC(=O)C 34a_100000210238_200010402107 [0,0,0,0,0,0|4,0,0]=4 649 B15R0.164 CCCCOCCOCCCCSC(=O)C 7a_100000210238_200010402107 [0,0,0,0,0,0|4,0,0]=4 650 B15R0.164 CCCCOCCOCCOCCC(=O)C 7a_100011215186_100000053229 [0,0,0,0,0,0|4,0,0]=4 651 B15R0.164 CCCCOCCOCCOCCC(=O)N 34a_100011215186_100000731001 [0,0,0,0,0,0|4,0,0]=4 652 B15R0.164 CCCCOCCOCCOCCC(=O)N 7a_100011215186_100000744528 [0,0,0,0,0,0|4,0,0]=4 653 B15R0.164 CCCCOCCSCCCCCB(O)O 62a_100000743108_200009817188 [0,0,0,0,0,0|3,0,1]=4 654 B15R0.164 CCCCOCCSCCCCCB(O)O 62a_200009817188_100000743108 [0,0,0,0,0,0|3,0,1]=4 655 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,0,0,0,0,0|3,0,0]=3 656 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,0,0,0,0,0|3,0,0]=3 657 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [0,0,0,0,0,0|4,0,0]=4 658 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [0,0,0,0,0,0|4,0,0]=4 659 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_100000743108_200010402107 [0,0,0,0,0,0|4,0,0]=4 660 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_200010402107_100000743108 [0,0,0,0,0,0|4,0,0]=4 661 B15R0.164 CCCCOCNCCCCCNC(=O)C 2230a_200012022750_100011995733 [0,0,0,0,0,0|4,0,0]=4 662 B15R0.164 CCCCOCNCCCCCNC(=O)C 34a_200012022750_100011995733 [0,0,0,0,0,0|4,0,0]=4 663 B15R0.164 CCCCOCSCCCCCCB(O)O 62a_100009817187_100011995733 [0,0,0,0,0,0|3,0,1]=4 664 B15R0.164 CCCCOCSCCCCCCB(O)O 62a_100011995733_100009817187 [0,0,0,0,0,0|3,0,1]=4 665 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [0,0,0,0,0,0|4,0,0]=4 666 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [0,0,0,0,0,0|4,0,0]=4 667 B15R0.164 CCCCSCCNCCCCCB(O)O 2230a_100025743550_200009817188 [0,0,0,0,0,0|3,0,1]=4 668 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,0,0,0,0,0|3,0,0]=3 669 B15R0.164 CCCCSCCNCCCCSC(=O)C 2230a_100025743550_200010402107 [0,0,0,0,0,0|4,0,0]=4 670 B15R0.164 CCCCSCCOCCCCCB(O)O 34a_200000230436_200009817188 [0,0,0,0,0,0|3,0,1]=4 671 B15R0.164 CCCCSCCOCCCCCB(O)O 7a_200000230436_200009817188 [0,0,0,0,0,0|3,0,1]=4 672 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,0,0,0,0,0|3,0,0]=3 673 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,0,0,0,0,0|3,0,0]=3 674 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [0,0,0,0,0,0|4,0,0]=4 675 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [0,0,0,0,0,0|4,0,0]=4 676 B15R0.164 CCCCSCCOCCCCSC(=O)C 34a_200000230436_200010402107 [0,0,0,0,0,0|4,0,0]=4 677 B15R0.164 CCCCSCCOCCCCSC(=O)C 7a_200000230436_200010402107 [0,0,0,0,0,0|4,0,0]=4 678 B15R0.164 CCCOCCCNCCCCCB(O)O 2230a_100011217757_200009817188 [0,0,0,0,0,0|3,0,1]=4 679 B15R0.164 CCCOCCCNCCCCCB(O)O 34a_100011217757_200009817188 [0,0,0,0,0,0|3,0,1]=4 680 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,0,0,0,0,0|3,0,0]=3 681 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,0,0,0,0,0|3,0,0]=3 682 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [0,0,0,0,0,0|4,0,0]=4 683 B15R0.164 CCCOCCCNCCCCSC(=O)C 2230a_100011217757_200010402107 [0,0,0,0,0,0|4,0,0]=4 684 B15R0.164 CCCOCCCNCCCCSC(=O)C 34a_100011217757_200010402107 [0,0,0,0,0,0|4,0,0]=4 685 B15R0.164 CCCOCCNCCCCCCB(O)O 2230a_100161115042_100009817187 [0,0,0,0,0,0|3,0,1]=4 686 B15R0.164 CCCOCCNCCCCCCB(O)O 34a_100161115042_100009817187 [0,0,0,0,0,0|3,0,1]=4 687 B15R0.164 CCCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215938 [0,0,0,0,0,0|4,0,0]=4 688 B15R0.164 CCCOCCNCCCCCNC(=O)C 34a_200012022750_100011215938 [0,0,0,0,0,0|4,0,0]=4 689 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [0,0,0,0,0,0|4,0,0]=4 690 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [0,0,0,0,0,0|4,0,0]=4 691 B15R0.164 CCCOCCOCCCCCCB(O)O 34a_100000752267_100009817187 [0,0,0,0,0,0|3,0,1]=4 692 B15R0.164 CCCOCCOCCCCCCB(O)O 7a_100000752267_100009817187 [0,0,0,0,0,0|3,0,1]=4 693 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [0,0,0,0,0,0|4,0,0]=4 694 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [0,0,0,0,0,0|4,0,0]=4 695 B15R0.164 CCCOCCOCCNCCCC(=O)C 34a_200011904461_100000685027 [0,0,0,0,0,0|4,0,0]=4 696 B15R0.164 CCCOCCOCCNCCCC(=O)N 34a_200011904461_100102525003 [0,0,0,0,0,0|4,0,0]=4 697 B15R0.164 CCCOCCSCCCCCCB(O)O 62a_100009817187_100011215938 [0,0,0,0,0,0|3,0,1]=4 698 B15R0.164 CCCOCCSCCCCCCB(O)O 62a_100011215938_100009817187 [0,0,0,0,0,0|3,0,1]=4 699 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [0,0,0,0,0,0|4,0,0]=4 700 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [0,0,0,0,0,0|4,0,0]=4 701 B15R0.164 CCCSCCNCCCCCCB(O)O 2230a_100020603323_100009817187 [0,0,0,0,0,0|3,0,1]=4 702 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [0,0,0,0,0,0|4,0,0]=4 703 B15R0.164 CCCSCCOCCCCCCB(O)O 34a_200000230433_100009817187 [0,0,0,0,0,0|3,0,1]=4 704 B15R0.164 CCCSCCOCCCCCCB(O)O 7a_200000230433_100009817187 [0,0,0,0,0,0|3,0,1]=4 705 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [0,0,0,0,0,0|4,0,0]=4 706 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [0,0,0,0,0,0|4,0,0]=4 707 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,0,0,0,0,0|2,0,0]=2 708 B15R0.164 CCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210202 [0,0,0,0,0,0|4,0,0]=4 709 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,0,0,0,0,0|2,0,0]=2 710 B15R0.164 CCOCCCNCCCCCCB(O)O 2230a_100000210961_100009817187 [0,0,0,0,0,0|3,0,1]=4 711 B15R0.164 CCOCCCNCCCCCCB(O)O 34a_100000210961_100009817187 [0,0,0,0,0,0|3,0,1]=4 712 B15R0.164 CCOCCCNCCCCCNC(=O)C 2230a_200012022750_100012232248 [0,0,0,0,0,0|4,0,0]=4 713 B15R0.164 CCOCCCNCCCCCNC(=O)C 34a_200012022750_100012232248 [0,0,0,0,0,0|4,0,0]=4 714 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [0,0,0,0,0,0|4,0,0]=4 715 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [0,0,0,0,0,0|4,0,0]=4 716 B15R0.164 CCOCCCOCCCCCCB(O)O 34a_100000757476_100009817187 [0,0,0,0,0,0|3,0,1]=4 717 B15R0.164 CCOCCCOCCCCCCB(O)O 7a_100000757476_100009817187 [0,0,0,0,0,0|3,0,1]=4 718 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [0,0,0,0,0,0|4,0,0]=4 719 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [0,0,0,0,0,0|4,0,0]=4 720 B15R0.164 CCOCCCSCCCCCCB(O)O 62a_100009817187_100012232248 [0,0,0,0,0,0|3,0,1]=4 721 B15R0.164 CCOCCCSCCCCCCB(O)O 62a_100012232248_100009817187 [0,0,0,0,0,0|3,0,1]=4 722 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [0,0,0,0,0,0|4,0,0]=4 723 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [0,0,0,0,0,0|4,0,0]=4 724 B15R0.164 CCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215890 [0,0,0,0,0,0|4,0,0]=4 725 B15R0.164 CCOCCNCCCCCCNC(=O)C 34a_200011996284_100000210147 [0,0,0,0,0,0|4,0,0]=4 726 B15R0.164 CCOCCNCCOCCOCC(=O)O 269956a_100009854275_100000210147 [0,0,0,0,0,0|4,0,0]=4 727 B15R0.164 CCOCCOCCNCCCCC(=O)C 34a_100102712874_100009817362 [0,0,0,0,0,0|4,0,0]=4 728 B15R0.164 CCOCCOCCNCCCCC(=O)N 34a_100000696515_100011211534 [0,0,0,0,0,0|4,0,0]=4 729 B15R0.164 CCOCCOCCNCCOCC(=O)O 269956a_100000700818_100011211534 [0,0,0,0,0,0|4,0,0]=4 730 B15R0.164 CCOCCOCCOCCCCC(=O)C 34a_100000210240_100009817362 [0,0,0,0,0,0|4,0,0]=4 731 B15R0.164 CCOCCOCCOCCCCC(=O)C 7a_100000210240_100000735457 [0,0,0,0,0,0|4,0,0]=4 732 B15R0.164 CCOCCOCCOCCCCC(=O)N 34a_100012022536_100011211534 [0,0,0,0,0,0|4,0,0]=4 733 B15R0.164 CCOCCOCCOCCCCC(=O)N 7a_100012022536_100011211534 [0,0,0,0,0,0|4,0,0]=4 734 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100000735457_100011211534 [0,0,0,0,0,0|4,0,0]=4 735 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100011211534_100000735457 [0,0,0,0,0,0|4,0,0]=4 736 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,0,0,0,0,0|2,0,0]=2 737 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,0,0,0,0,0|2,0,0]=2 738 B15R0.164 CCSCCCOCCCCCCB(O)O 34a_100011216438_100009817187 [0,0,0,0,0,0|3,0,1]=4 739 B15R0.164 CCSCCCOCCCCCCB(O)O 7a_100011216438_100009817187 [0,0,0,0,0,0|3,0,1]=4 740 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [0,0,0,0,0,0|4,0,0]=4 741 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [0,0,0,0,0,0|4,0,0]=4 742 B15R0.164 CCSCCNCCCCCCNC(=O)C 2230a_200011996284_100000757381 [0,0,0,0,0,0|4,0,0]=4 743 B15R0.164 CCSCCNCCCCCCNC(=O)C 34a_200011996284_100000757381 [0,0,0,0,0,0|4,0,0]=4 744 B15R0.164 CCSCCNCCOCCOCC(=O)O 269956a_100009854275_100000757381 [0,0,0,0,0,0|4,0,0]=4 745 B15R0.164 CN(C)CCCCCCCCCCCCO 2230a_100102631434_100009813331 [0,0,0,0,0,0|4,0,0]=4 746 B15R0.164 CN(C)CCCCCCCCCCCCO 269982a_100102631434_100009813331 [0,0,0,0,0,0|4,0,0]=4 747 B15R0.164 CNCCCCCOCCCCCB(O)O 34a_100000722520_200009817188 [0,0,0,0,0,0|3,0,1]=4 748 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,0,0,0,0,0|3,0,0]=3 749 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [0,0,0,0,0,0|4,0,0]=4 750 B15R0.164 CNCCCCCOCCCCSC(=O)C 34a_100000722520_200010402107 [0,0,0,0,0,0|4,0,0]=4 751 B15R0.164 CNCCOCCOCCCCCC(=O)N 34a_100000228057_100009817443 [0,0,0,0,0,0|4,0,0]=4 752 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,0,0,0,0,0|3,0,0]=3 753 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,0,0,0,0,0|4,0,0]=4 754 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,0,0,0,0,0|3,0,0]=3 755 B15R0.164 COCCCCCCOCCCCB(O)O 34a_200012092642_200009817182 [0,0,0,0,0,0|3,0,1]=4 756 B15R0.164 COCCCCCCOCCCCB(O)O 7a_200012092642_200009817182 [0,0,0,0,0,0|3,0,1]=4 757 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,0,0,0,0,0|3,0,0]=3 758 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,0,0,0,0,0|3,0,0]=3 759 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,0,0,0,0,0|3,0,0]=3 760 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,0,0,0,0,0|3,0,0]=3 761 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011998445 [0,0,0,0,0,0|3,0,1]=4 762 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011998445 [0,0,0,0,0,0|3,0,1]=4 763 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,0,0,0,0,0|4,0,0]=4 764 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,0,0,0,0,0|4,0,0]=4 765 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,0,0,0,0,0|4,0,0]=4 766 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,0,0,0,0,0|4,0,0]=4 767 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,0,0,0,0,0|4,0,0]=4 768 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,0,0,0,0,0|4,0,0]=4 769 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,0,0,0,0,0|4,0,0]=4 770 B15R0.164 COCCCCCCSCCCCB(O)O 62a_100011998445_200009817182 [0,0,0,0,0,0|3,0,1]=4 771 B15R0.164 COCCCCCCSCCCCB(O)O 62a_200009817182_100011998445 [0,0,0,0,0,0|3,0,1]=4 772 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,0,0,0,0,0|3,0,0]=3 773 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,0,0,0,0,0|3,0,0]=3 774 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,0,0,0,0,0|4,0,0]=4 775 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,0,0,0,0,0|4,0,0]=4 776 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,0,0,0,0,0|4,0,0]=4 777 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,0,0,0,0,0|4,0,0]=4 778 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,0,0,0,0,0|4,0,0]=4 779 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,0,0,0,0,0|4,0,0]=4 780 B15R0.164 COCCCCCNCCCCCB(O)O 2230a_100000747528_200009817188 [0,0,0,0,0,0|3,0,1]=4 781 B15R0.164 COCCCCCNCCCCCB(O)O 34a_100000747528_200009817188 [0,0,0,0,0,0|3,0,1]=4 782 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,0,0,0,0,0|3,0,0]=3 783 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,0,0,0,0,0|3,0,0]=3 784 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,0,0,0,0,0|4,0,0]=4 785 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,0,0,0,0,0|4,0,0]=4 786 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,0,0,0,0,0|4,0,0]=4 787 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,0,0,0,0,0|4,0,0]=4 788 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,0,0,0,0,0|4,0,0]=4 789 B15R0.164 COCCCCOCCCCCCB(O)O 34a_100000740925_100009817187 [0,0,0,0,0,0|3,0,1]=4 790 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,0,0,0,0,0|4,0,0]=4 791 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100000730899_100009817187 [0,0,0,0,0,0|3,0,1]=4 792 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100009817187_100000730899 [0,0,0,0,0,0|3,0,1]=4 793 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,0,0,0,0,0|4,0,0]=4 794 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,0,0,0,0,0|4,0,0]=4 795 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,0,0,0,0,0|4,0,0]=4 796 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,0,0,0,0,0|4,0,0]=4 797 B15R0.164 COCCCNCCOCCOCC(=O)O 269956a_100009854275_100000740836 [0,0,0,0,0,0|4,0,0]=4 798 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,0,0,0,0,0|4,0,0]=4 799 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,0,0,0,0,0|4,0,0]=4 800 B15R0.164 COCCCOCCCOCCCC(=O)N 34a_200011215475_100102525003 [0,0,0,0,0,0|4,0,0]=4 801 B15R0.164 COCCCOCCCOCCCC(=O)N 7a_200011215475_100102525003 [0,0,0,0,0,0|4,0,0]=4 802 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,0,0,0,0,0|4,0,0]=4 803 B15R0.164 COCCOCCCNCCCCC(=O)N 34a_100000696515_100011216529 [0,0,0,0,0,0|4,0,0]=4 804 B15R0.164 COCCOCCCNCCOCC(=O)O 269956a_100000700818_100011216529 [0,0,0,0,0,0|4,0,0]=4 805 B15R0.164 COCCOCCCOCCCCC(=O)N 34a_100012022536_100011216529 [0,0,0,0,0,0|4,0,0]=4 806 B15R0.164 COCCOCCCOCCCCC(=O)N 7a_100012022536_100011216529 [0,0,0,0,0,0|4,0,0]=4 807 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,0,0,0,0,0|4,0,0]=4 808 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,0,0,0,0,0|4,0,0]=4 809 B15R0.164 COCCOCCNCCCCCC(=O)N 2230a_100000745349_100009817443 [0,0,0,0,0,0|4,0,0]=4 810 B15R0.164 COCCOCCNCCCCCC(=O)N 34a_100000745349_100009817443 [0,0,0,0,0,0|4,0,0]=4 811 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100000123541_100000695917 [0,0,0,0,0,0|4,0,0]=4 812 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100011215163_100009817443 [0,0,0,0,0,0|4,0,0]=4 813 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100000123541_100000695917 [0,0,0,0,0,0|4,0,0]=4 814 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100011215163_100009817443 [0,0,0,0,0,0|4,0,0]=4 815 B15R0.164 COCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000695917 [0,0,0,0,0,0|3,0,1]=4 816 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100000695917_100009817443 [0,0,0,0,0,0|4,0,0]=4 817 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100009817443_100000695917 [0,0,0,0,0,0|4,0,0]=4 818 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,0,0,0,0,0|4,0,0]=4 819 B15R0.164 CSCCCCOCCCCCCB(O)O 34a_100011217163_100009817187 [0,0,0,0,0,0|3,0,1]=4 820 B15R0.164 CSCCCCOCCCCCCB(O)O 7a_100011217163_100009817187 [0,0,0,0,0,0|3,0,1]=4 821 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [0,0,0,0,0,0|4,0,0]=4 822 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [0,0,0,0,0,0|4,0,0]=4 823 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 2230a_100000066964_100009817552 [0,0,0,0,0,0|3,0,1]=4 824 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 34a_100000066964_100009817552 [0,0,0,0,0,0|3,0,1]=4 825 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,0,0,0,0,0|3,0,1]=4 826 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,0,0,0,0,0|3,0,1]=4 827 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,0,0,0,0,0|3,0,1]=4 828 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,0,0,0,0,0|3,0,1]=4 829 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,0,0,0,0,0|3,0,1]=4 830 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009813290_100009817552 [0,0,0,0,0,0|3,0,1]=4 831 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009817552_200000033068 [0,0,0,0,0,0|3,0,1]=4 832 B15R0.164 N#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100009813337 [0,0,0,0,0,0|3,0,1]=4 833 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,0,0,0,0,0|3,0,1]=4 834 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,0,0,0,0,0|3,0,1]=4 835 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,0,0,0,0,0|2,0,2]=4 836 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,0,0,0,0,0|3,0,1]=4 837 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,0,0,0,0,0|3,0,1]=4 838 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,0,0,0,0,0|3,0,0]=3 839 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,0,0,0,0,0|3,0,0]=3 840 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,0,0,0,0,0|3,0,0]=3 841 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,0,0,0,0,0|3,0,0]=3 842 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,0,0,0,0,0|3,0,1]=4 843 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,0,0,0,0,0|3,0,0]=3 844 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,0,0,0,0,0|3,0,0]=3 845 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,0,0,0,0,0|3,0,0]=3 846 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,0,0,0,0,0|3,0,0]=3 847 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,0,0,0,0,0|3,0,0]=3 848 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,0,0,0,0,0|3,0,0]=3 849 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,0,0,0,0,0|3,0,0]=3 850 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,0,0,0,0,0|3,0,0]=3 851 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,0,0,0,0,0|3,0,0]=3 852 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,0,0,0,0,0|3,0,0]=3 853 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,0,0,0,0,0|3,0,1]=4 854 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,0,0,0,0,0|3,0,1]=4 855 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,0,0,0,0,0|3,0,0]=3 856 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,0,0,0,0,0|3,0,0]=3 857 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,0,0,0,0,0|3,0,0]=3 858 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,0,0,0,0,0|3,0,0]=3 859 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,0,0,0,0,0|3,0,0]=3 860 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,0,0,0,0,0|3,0,0]=3 861 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,0,0,0,0,0|3,0,0]=3 862 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,0,0,0,0,0|3,0,0]=3 863 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,0,0,0,0,0|3,0,0]=3 864 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,0,0,0,0,0|3,0,0]=3 865 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,0,0,0,0,0|3,0,0]=3 866 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,0,0,0,0,0|3,0,0]=3 867 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,0,0,0,0,0|3,0,0]=3 868 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,0,0,0,0,0|3,0,0]=3 869 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,0,0,0,0,0|3,0,0]=3 870 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,0,0,0,0,0|3,0,0]=3 871 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,0,0,0,0,0|3,0,0]=3 872 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,0,0,0,0,0|3,0,0]=3 873 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,0,0,0,0,0|3,0,0]=3 874 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,0,0,0,0,0|3,0,0]=3 875 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,0,0,0,0,0|3,0,0]=3 876 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,0,0,0,0,0|3,0,0]=3 877 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,0,0,0,0,0|3,0,0]=3 878 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,0,0,0,0,0|3,0,0]=3 879 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,0,0,0,0,0|3,0,0]=3 880 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,0,0,0,0,0|3,0,0]=3 881 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,0,0,0,0,0|3,0,0]=3 882 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,0,0,0,0,0|3,0,0]=3 883 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,0,0,0,0,0|3,0,0]=3 884 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,0,0,0,0,0|3,0,0]=3 885 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,0,0,0,0,0|3,0,0]=3 886 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,0,0,0,0,0|3,0,0]=3 887 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,0,0,0,0,0|4,0,0]=4 888 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,0,0,0,0,0|4,0,0]=4 889 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,0,0,0,0,0|4,0,0]=4 890 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,0,0,0,0,0|4,0,0]=4 891 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,0,0,0,0,0|4,0,0]=4 892 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,0,0,0,0,0|4,0,0]=4 893 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,0,0,0,0,0|3,0,0]=3 894 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,0,0,0,0,0|3,0,0]=3 895 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,0,0,0,0,0|4,0,0]=4 896 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,0,0,0,0,0|4,0,0]=4 897 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,0,0,0,0,0|4,0,0]=4 898 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,0,0,0,0,0|4,0,0]=4 899 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,0,0,0,0,0|4,0,0]=4 900 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,0,0,0,0,0|4,0,0]=4 901 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,0,0,0,0,0|4,0,0]=4 902 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,0,0,0,0,0|4,0,0]=4 903 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,0,0,0,0,0|4,0,0]=4 904 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,0,0,0,0,0|4,0,0]=4 905 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,0,0,0,0,0|4,0,0]=4 906 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,0,0,0,0,0|4,0,0]=4 907 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,0,0,0,0,0|4,0,0]=4 908 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,0,0,0,0,0|4,0,0]=4 909 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,0,0,0,0,0|4,0,0]=4 910 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,0,0,0,0,0|3,0,0]=3 911 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,0,0,0,0,0|2,0,1]=3 912 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,0,0,0,0,0|3,0,1]=4 913 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,0,0,0,0,0|3,0,0]=3 914 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,0,0,0,0,0|3,0,0]=3 915 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,0,0,0,0,0|4,0,0]=4 916 B15R0.164 NCCCCCCCOCCCCB(O)O 34a_100011996573_200009817182 [0,0,0,0,0,0|3,0,1]=4 917 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,0,0,0,0,0|4,0,0]=4 918 B15R0.164 NCCCCCCOCCCCCB(O)O 34a_100000686447_200009817188 [0,0,0,0,0,0|3,0,1]=4 919 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,0,0,0,0,0|3,0,0]=3 920 B15R0.164 NCCCCCOCCCCCCB(O)O 34a_100000762737_100009817187 [0,0,0,0,0,0|3,0,1]=4 921 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,0,0,0,0,0|4,0,0]=4 922 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,0,0,0,0,0|2,0,0]=2 923 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,0,0,0,0,0|3,0,0]=3 924 B15R0.164 O=C(O)COCCOCCNCCCCF 269956a_100009854275_100000729493 [0,0,0,0,0,0|4,0,0]=4 925 B15R0.164 O=C(O)COCCOCCNCCCCO 269956a_100009854275_100000210776 [0,0,0,0,0,0|4,0,0]=4 926 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,0,0,0,0,0|3,0,0]=3 927 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,0,0,0,0,0|2,0,1]=3 928 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,0,0,0,0,0|2,0,1]=3 929 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,0,0,0,0,0|2,0,1]=3 930 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,0,0,0,0,0|2,0,1]=3 931 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,0,0,0,0,0|2,0,1]=3 932 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,0,0,0,0,0|2,0,1]=3 933 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,0,0,0,0,0|2,0,1]=3 934 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,0,0,0,0,0|2,0,2]=4 935 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,0,0,0,0,0|3,0,1]=4 936 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,0,0,0,0,0|3,0,1]=4 937 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,0,0,0,0,0|3,0,1]=4 938 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,0,0,0,0,0|3,0,1]=4 939 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,0,0,0,0,0|3,0,1]=4 940 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,0,0,0,0,0|3,0,1]=4 941 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,0,0,0,0,0|3,0,1]=4 942 B15R0.164 OB(O)CCCCCCOCCCCCBr 34a_100000746331_100009817187 [0,0,0,0,0,0|3,0,1]=4 943 B15R0.164 OB(O)CCCCCCOCCCCCBr 7a_100000746331_100009817187 [0,0,0,0,0,0|3,0,1]=4 944 B15R0.164 OB(O)CCCCCCOCCCCCCl 34a_100000746330_100009817187 [0,0,0,0,0,0|3,0,1]=4 945 B15R0.164 OB(O)CCCCCCOCCCCCCl 7a_100000746330_100009817187 [0,0,0,0,0,0|3,0,1]=4 946 B15R0.164 OB(O)CCCCCCOCCCCCI 34a_200012148887_100009817187 [0,0,0,0,0,0|3,0,1]=4 947 B15R0.164 OB(O)CCCCCCOCCCCCI 7a_200012148887_100009817187 [0,0,0,0,0,0|3,0,1]=4 948 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100000729378_100009817187 [0,0,0,0,0,0|3,0,1]=4 949 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100009817187_100000729378 [0,0,0,0,0,0|3,0,1]=4 950 B15R0.164 OB(O)CCCCCOCCCCCCBr 34a_100011215345_200009817188 [0,0,0,0,0,0|3,0,1]=4 951 B15R0.164 OB(O)CCCCCOCCCCCCBr 7a_100011215345_200009817188 [0,0,0,0,0,0|3,0,1]=4 952 B15R0.164 OB(O)CCCCCOCCCCCCCl 34a_100000766143_200009817188 [0,0,0,0,0,0|3,0,1]=4 953 B15R0.164 OB(O)CCCCCOCCCCCCCl 7a_100000766143_200009817188 [0,0,0,0,0,0|3,0,1]=4 954 B15R0.164 OB(O)CCCCCOCCCCCCF 34a_100000732779_200009817188 [0,0,0,0,0,0|3,0,1]=4 955 B15R0.164 OB(O)CCCCCOCCCCCCF 7a_100000732779_200009817188 [0,0,0,0,0,0|3,0,1]=4 956 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_100015922095_200009817188 [0,0,0,0,0,0|3,0,1]=4 957 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_200009817188_100015922095 [0,0,0,0,0,0|3,0,1]=4 958 B15R0.164 OB(O)CCCCOCCCCCCCBr 34a_100000760002_200009817182 [0,0,0,0,0,0|3,0,1]=4 959 B15R0.164 OB(O)CCCCOCCCCCCCBr 7a_100000760002_200009817182 [0,0,0,0,0,0|3,0,1]=4 960 B15R0.164 OCCCCCCCNCCCCB(O)O 2230a_100011996573_200009817182 [0,0,0,0,0,0|3,0,1]=4 961 B15R0.164 OCCCCCCCNCCCCB(O)O 34a_100011996573_200009817182 [0,0,0,0,0,0|3,0,1]=4 962 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_100000760002_200009817182 [0,0,0,0,0,0|3,0,1]=4 963 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_200009817182_100000760002 [0,0,0,0,0,0|3,0,1]=4 964 B15R0.164 OCCCCCCNCCCCCB(O)O 2230a_100000686447_200009817188 [0,0,0,0,0,0|3,0,1]=4 965 B15R0.164 OCCCCCCNCCCCCB(O)O 34a_100000686447_200009817188 [0,0,0,0,0,0|3,0,1]=4 966 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_100000766143_200009817188 [0,0,0,0,0,0|3,0,1]=4 967 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_200009817188_100000766143 [0,0,0,0,0,0|3,0,1]=4 968 B15R0.164 OCCCCCNCCCCCCB(O)O 2230a_100000762737_100009817187 [0,0,0,0,0,0|3,0,1]=4 969 B15R0.164 OCCCCCNCCCCCCB(O)O 34a_100000762737_100009817187 [0,0,0,0,0,0|3,0,1]=4 970 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100000746330_100009817187 [0,0,0,0,0,0|3,0,1]=4 971 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100009817187_100000746330 [0,0,0,0,0,0|3,0,1]=4 972 B14R0.392 C#CCCCCCCCCCCOCC 34a_100000054667_100000210202 [1,0,0,0,0,0|2,0,1]=4 973 B14R0.392 C#CCCCCCCCCCCOCC 7a_100000054667_100000210202 [1,0,0,0,0,0|2,0,1]=4 974 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [1,0,0,0,0,0|1,0,2]=4 975 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [1,0,0,0,0,0|1,0,2]=4 976 B14R0.392 C#CCCCCCCCCCOCCC 34a_100000034437_100000210303 [1,0,0,0,0,0|2,0,1]=4 977 B14R0.392 C#CCCCCCCCCCOCCC 7a_100000034437_100000210303 [1,0,0,0,0,0|2,0,1]=4 978 B14R0.392 C#CCCCCCCCCOCCCC 34a_100000065265_100000210210 [1,0,0,0,0,0|2,0,1]=4 979 B14R0.392 C#CCCCCCCCCOCCCC 7a_100000065265_100000210211 [1,0,0,0,0,0|2,0,1]=4 980 B14R0.392 C#CCCCCCCCNCCCCC 2230a_100000209983_100153394163 [1,0,0,0,0,0|2,0,1]=4 981 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [1,0,0,0,0,0|1,0,2]=4 982 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000054614_100000718602 [1,0,0,0,0,0|2,0,1]=4 983 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000210253_100153394163 [1,0,0,0,0,0|2,0,1]=4 984 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000054614_100000210326 [1,0,0,0,0,0|2,0,1]=4 985 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000210253_100153394163 [1,0,0,0,0,0|2,0,1]=4 986 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [1,0,0,0,0,0|1,0,2]=4 987 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [1,0,0,0,0,0|1,0,2]=4 988 B14R0.392 C#CCCCCCCCSCCCCC 62a_100000210326_100153394163 [1,0,0,0,0,0|2,0,1]=4 989 B14R0.392 C#CCCCCCCCSCCCCC 62a_100153394163_100000210326 [1,0,0,0,0,0|2,0,1]=4 990 B14R0.392 C#CCCCCCCNCCCCCC 2230a_100000210581_100012276617 [1,0,0,0,0,0|2,0,1]=4 991 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [1,0,0,0,0,0|1,0,2]=4 992 B14R0.392 C#CCCCCCCOCCCCCC 34a_100000210259_100012276617 [1,0,0,0,0,0|2,0,1]=4 993 B14R0.392 C#CCCCCCCOCCCCCC 34a_100011217361_100000210314 [1,0,0,0,0,0|2,0,1]=4 994 B14R0.392 C#CCCCCCCOCCCCCC 7a_100000210259_100012276617 [1,0,0,0,0,0|2,0,1]=4 995 B14R0.392 C#CCCCCCCOCCCCCC 7a_100011217361_100000210314 [1,0,0,0,0,0|2,0,1]=4 996 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [1,0,0,0,0,0|1,0,2]=4 997 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [1,0,0,0,0,0|1,0,2]=4 998 B14R0.392 C#CCCCCCCSCCCCCC 62a_100000210314_100012276617 [1,0,0,0,0,0|2,0,1]=4 999 B14R0.392 C#CCCCCCCSCCCCCC 62a_100012276617_100000210757 [1,0,0,0,0,0|2,0,1]=4 1000 B14R0.392 C#CCCCCCNCCCCCCC 2230a_100000229938_100012094781 [1,0,0,0,0,0|2,0,1]=4 1001 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [1,0,0,0,0,0|1,0,2]=4 1002 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000210272_100012094781 [1,0,0,0,0,0|2,0,1]=4 1003 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000766912_100000210614 [1,0,0,0,0,0|2,0,1]=4 1004 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000210272_100012094781 [1,0,0,0,0,0|2,0,1]=4 1005 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000766912_100000210614 [1,0,0,0,0,0|2,0,1]=4 1006 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [1,0,0,0,0,0|1,0,2]=4 1007 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [1,0,0,0,0,0|1,0,2]=4 1008 B14R0.392 C#CCCCCCSCCCCCCC 62a_100000210614_100012094781 [1,0,0,0,0,0|2,0,1]=4 1009 B14R0.392 C#CCCCCCSCCCCCCC 62a_100012094781_100000210316 [1,0,0,0,0,0|2,0,1]=4 1010 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000229939_100010269958 [1,0,0,0,0,0|2,0,1]=4 1011 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000706060_100000210759 [1,0,0,0,0,0|2,0,1]=4 1012 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000229939_100010269958 [1,0,0,0,0,0|2,0,1]=4 1013 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000706060_100000210759 [1,0,0,0,0,0|2,0,1]=4 1014 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000210232_100010269958 [1,0,0,0,0,0|2,0,1]=4 1015 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000766709_100000210759 [1,0,0,0,0,0|2,0,1]=4 1016 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000210232_100010269958 [1,0,0,0,0,0|2,0,1]=4 1017 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000766709_100000210759 [1,0,0,0,0,0|2,0,1]=4 1018 B14R0.392 C#CCCCCSCCCCCCCC 62a_100000210759_100010269958 [1,0,0,0,0,0|2,0,1]=4 1019 B14R0.392 C#CCCCCSCCCCCCCC 62a_100010269958_100000210317 [1,0,0,0,0,0|2,0,1]=4 1020 B14R0.392 C#CCCCNCCCCCCCCC 2230a_100000212291_100000731252 [1,0,0,0,0,0|2,0,1]=4 1021 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000212291_100000695029 [1,0,0,0,0,0|2,0,1]=4 1022 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000718082_100011214924 [1,0,0,0,0,0|2,0,1]=4 1023 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000210712_100000695029 [1,0,0,0,0,0|2,0,1]=4 1024 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000215630_100011214924 [1,0,0,0,0,0|2,0,1]=4 1025 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000210712_100011215417 [1,0,0,0,0,0|2,0,1]=4 1026 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000215630_100000210328 [1,0,0,0,0,0|2,0,1]=4 1027 B14R0.392 C#CCCCSCCCCCCCCC 62a_100011215417_100000210670 [1,0,0,0,0,0|2,0,1]=4 1028 B14R0.392 C#CCCNCCCCCCCCCC 2230a_100000684558_100000688953 [1,0,0,0,0,0|2,0,1]=4 1029 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000684558_100000688953 [1,0,0,0,0,0|2,0,1]=4 1030 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000755551_100000210320 [1,0,0,0,0,0|2,0,1]=4 1031 B14R0.392 C#CCCOCCCCCCCCCC 34a_100000210711_100000688953 [1,0,0,0,0,0|2,0,1]=4 1032 B14R0.392 C#CCCOCCCCCCCCCC 34a_100011215631_100000210320 [1,0,0,0,0,0|2,0,1]=4 1033 B14R0.392 C#CCCOCCCCCCCCCC 7a_100000210711_100000688953 [1,0,0,0,0,0|2,0,1]=4 1034 B14R0.392 C#CCCSCCCCCCCCCC 62a_100000688953_100000210320 [1,0,0,0,0,0|2,0,1]=4 1035 B14R0.392 C#CCNCCCCCCCCCCC 2230a_200011215754_100000038162 [1,0,0,0,0,0|2,0,1]=4 1036 B14R0.392 C#CCNCCCCCCCCCCC 34a_100000212058_100011215454 [1,0,0,0,0,0|2,0,1]=4 1037 B14R0.392 C#CCNCCCCCCCCCCC 34a_200011215754_100000184674 [1,0,0,0,0,0|2,0,1]=4 1038 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210247_100011215454 [1,0,0,0,0,0|2,0,1]=4 1039 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210809_100000184674 [1,0,0,0,0,0|2,0,1]=4 1040 B14R0.392 C#CCOCCCCCCCCCCC 7a_100000210809_100000038162 [1,0,0,0,0,0|2,0,1]=4 1041 B14R0.392 C#CCSCCCCCCCCCCC 62a_100000038162_100011215454 [1,0,0,0,0,0|2,0,1]=4 1042 B14R0.392 C/C=C/CCOCCCCCCCCC 34a_100016278192_100011214924 [1,0,0,0,0,0|2,0,1]=4 1043 B14R0.392 C/C=C/CNCCCCCCCCCC 34a_100000684558_100102629194 [1,0,0,0,0,0|2,0,1]=4 1044 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100000210711_100102629194 [1,0,0,0,0,0|2,0,1]=4 1045 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100016270725_100000210320 [1,0,0,0,0,0|2,0,1]=4 1046 B14R0.392 C/C=C/COCCCCCCCCCC 7a_100000210711_100102629194 [1,0,0,0,0,0|2,0,1]=4 1047 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [1,0,0,0,0,0|2,0,0]=3 1048 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [1,0,0,0,0,0|2,0,0]=3 1049 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [1,0,0,0,0,0|2,0,0]=3 1050 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [1,0,0,0,0,0|2,0,0]=3 1051 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [1,0,0,0,0,0|2,0,0]=3 1052 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [1,0,0,0,0,0|2,0,0]=3 1053 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [1,0,0,0,0,0|1,0,2]=4 1054 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [1,0,0,0,0,0|1,0,2]=4 1055 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [1,0,0,0,0,0|2,0,0]=3 1056 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [1,0,0,0,0,0|2,0,0]=3 1057 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [1,0,0,0,0,0|3,0,0]=4 1058 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [1,0,0,0,0,0|3,0,0]=4 1059 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [1,0,0,0,0,0|3,0,0]=4 1060 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [1,0,0,0,0,0|3,0,0]=4 1061 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [1,0,0,0,0,0|3,0,0]=4 1062 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [1,0,0,0,0,0|3,0,0]=4 1063 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [1,0,0,0,0,0|3,0,0]=4 1064 B14R0.392 C=CCCCCCCCCCNCOC 2230a_100000081888_100000766300 [1,0,0,0,0,0|3,0,0]=4 1065 B14R0.392 C=CCCCCCCCCCNCSC 2230a_100000081888_100011218213 [1,0,0,0,0,0|3,0,0]=4 1066 B14R0.392 C=CCCCCCCCCCNCSC 34a_100000081888_100011218213 [1,0,0,0,0,0|3,0,0]=4 1067 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [1,0,0,0,0,0|1,0,2]=4 1068 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [1,0,0,0,0,0|1,0,2]=4 1069 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [1,0,0,0,0,0|3,0,0]=4 1070 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [1,0,0,0,0,0|2,0,0]=3 1071 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [1,0,0,0,0,0|2,0,0]=3 1072 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [1,0,0,0,0,0|2,0,0]=3 1073 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [1,0,0,0,0,0|3,0,0]=4 1074 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [1,0,0,0,0,0|3,0,0]=4 1075 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [1,0,0,0,0,0|3,0,0]=4 1076 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [1,0,0,0,0,0|3,0,0]=4 1077 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [1,0,0,0,0,0|3,0,0]=4 1078 B14R0.392 C=CCCCCCCCCCOCSC 34a_100000038209_100011218213 [1,0,0,0,0,0|3,0,0]=4 1079 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [1,0,0,0,0,0|1,0,2]=4 1080 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [1,0,0,0,0,0|1,0,2]=4 1081 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [1,0,0,0,0,0|3,0,0]=4 1082 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [1,0,0,0,0,0|3,0,0]=4 1083 B14R0.392 C=CCCCCCCCCCSCOC 62a_100000766300_100009814027 [1,0,0,0,0,0|3,0,0]=4 1084 B14R0.392 C=CCCCCCCCCCSCOC 62a_100009814027_100000766300 [1,0,0,0,0,0|3,0,0]=4 1085 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [1,0,0,0,0,0|2,0,0]=3 1086 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [1,0,0,0,0,0|2,0,0]=3 1087 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [1,0,0,0,0,0|3,0,0]=4 1088 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [1,0,0,0,0,0|3,0,0]=4 1089 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [1,0,0,0,0,0|3,0,0]=4 1090 B14R0.392 C=CCCCCCCCCNCCSC 2230a_100020590264_100011933949 [1,0,0,0,0,0|3,0,0]=4 1091 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [1,0,0,0,0,0|3,0,0]=4 1092 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [1,0,0,0,0,0|2,0,0]=3 1093 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [1,0,0,0,0,0|2,0,0]=3 1094 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [1,0,0,0,0,0|2,0,0]=3 1095 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [1,0,0,0,0,0|2,0,0]=3 1096 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [1,0,0,0,0,0|3,0,0]=4 1097 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [1,0,0,0,0,0|3,0,0]=4 1098 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [1,0,0,0,0,0|3,0,0]=4 1099 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [1,0,0,0,0,0|3,0,0]=4 1100 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [1,0,0,0,0,0|3,0,0]=4 1101 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [1,0,0,0,0,0|3,0,0]=4 1102 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [1,0,0,0,0,0|3,0,0]=4 1103 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [1,0,0,0,0,0|3,0,0]=4 1104 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [1,0,0,0,0,0|3,0,0]=4 1105 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [1,0,0,0,0,0|3,0,0]=4 1106 B14R0.392 C=CCCCCCCCCOCCSC 34a_100000230434_100011933949 [1,0,0,0,0,0|3,0,0]=4 1107 B14R0.392 C=CCCCCCCCCOCCSC 34a_100011215194_100000212216 [1,0,0,0,0,0|3,0,0]=4 1108 B14R0.392 C=CCCCCCCCCOCCSC 7a_100000230434_100011933949 [1,0,0,0,0,0|3,0,0]=4 1109 B14R0.392 C=CCCCCCCCCOCCSC 7a_100011215194_100000212216 [1,0,0,0,0,0|3,0,0]=4 1110 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [1,0,0,0,0,0|3,0,0]=4 1111 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [1,0,0,0,0,0|3,0,0]=4 1112 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [1,0,0,0,0,0|3,0,0]=4 1113 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [1,0,0,0,0,0|3,0,0]=4 1114 B14R0.392 C=CCCCCCCCCSCOCC 62a_100000739092_100011933949 [1,0,0,0,0,0|3,0,0]=4 1115 B14R0.392 C=CCCCCCCCCSCOCC 62a_100011933949_100000739092 [1,0,0,0,0,0|3,0,0]=4 1116 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [1,0,0,0,0,0|2,0,0]=3 1117 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [1,0,0,0,0,0|3,0,0]=4 1118 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [1,0,0,0,0,0|3,0,0]=4 1119 B14R0.392 C=CCCCCCCCNCCCOC 34a_100150723488_100012355270 [1,0,0,0,0,0|3,0,0]=4 1120 B14R0.392 C=CCCCCCCCNCCCSC 2230a_100000749238_100012355270 [1,0,0,0,0,0|3,0,0]=4 1121 B14R0.392 C=CCCCCCCCNCCOCC 2230a_102516460346_100012355270 [1,0,0,0,0,0|3,0,0]=4 1122 B14R0.392 C=CCCCCCCCNCCOCC 34a_102516460346_100012355270 [1,0,0,0,0,0|3,0,0]=4 1123 B14R0.392 C=CCCCCCCCNCCSCC 2230a_100000106463_100012355270 [1,0,0,0,0,0|3,0,0]=4 1124 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [1,0,0,0,0,0|1,0,2]=4 1125 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [1,0,0,0,0,0|3,0,0]=4 1126 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [1,0,0,0,0,0|2,0,0]=3 1127 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [1,0,0,0,0,0|2,0,0]=3 1128 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [1,0,0,0,0,0|2,0,0]=3 1129 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [1,0,0,0,0,0|2,0,0]=3 1130 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [1,0,0,0,0,0|3,0,0]=4 1131 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [1,0,0,0,0,0|3,0,0]=4 1132 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [1,0,0,0,0,0|3,0,0]=4 1133 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [1,0,0,0,0,0|3,0,0]=4 1134 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [1,0,0,0,0,0|3,0,0]=4 1135 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [1,0,0,0,0,0|3,0,0]=4 1136 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [1,0,0,0,0,0|3,0,0]=4 1137 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [1,0,0,0,0,0|3,0,0]=4 1138 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [1,0,0,0,0,0|3,0,0]=4 1139 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [1,0,0,0,0,0|3,0,0]=4 1140 B14R0.392 C=CCCCCCCCOCCCNC 34a_100000213112_100012355270 [1,0,0,0,0,0|3,0,0]=4 1141 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000730831_100000740836 [1,0,0,0,0,0|3,0,0]=4 1142 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000740835_100012355270 [1,0,0,0,0,0|3,0,0]=4 1143 B14R0.392 C=CCCCCCCCOCCCOC 7a_100000730831_100000740836 [1,0,0,0,0,0|3,0,0]=4 1144 B14R0.392 C=CCCCCCCCOCCCSC 34a_100000690336_100012355270 [1,0,0,0,0,0|3,0,0]=4 1145 B14R0.392 C=CCCCCCCCOCCCSC 7a_100000690336_100012355270 [1,0,0,0,0,0|3,0,0]=4 1146 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000210136_100012355270 [1,0,0,0,0,0|3,0,0]=4 1147 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000730831_100000210147 [1,0,0,0,0,0|3,0,0]=4 1148 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000210136_100012355270 [1,0,0,0,0,0|3,0,0]=4 1149 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000730831_100011215890 [1,0,0,0,0,0|3,0,0]=4 1150 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000212035_100012355270 [1,0,0,0,0,0|3,0,0]=4 1151 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000730831_100000757381 [1,0,0,0,0,0|3,0,0]=4 1152 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000212035_100012355270 [1,0,0,0,0,0|3,0,0]=4 1153 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000730831_100000757381 [1,0,0,0,0,0|3,0,0]=4 1154 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [1,0,0,0,0,0|1,0,2]=4 1155 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [1,0,0,0,0,0|1,0,2]=4 1156 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [1,0,0,0,0,0|3,0,0]=4 1157 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [1,0,0,0,0,0|3,0,0]=4 1158 B14R0.392 C=CCCCCCCCSCCCOC 62a_100000709357_100012355270 [1,0,0,0,0,0|3,0,0]=4 1159 B14R0.392 C=CCCCCCCCSCCCOC 62a_100012355270_100000709357 [1,0,0,0,0,0|3,0,0]=4 1160 B14R0.392 C=CCCCCCCCSCCOCC 62a_100000210147_100012355270 [1,0,0,0,0,0|3,0,0]=4 1161 B14R0.392 C=CCCCCCCCSCCOCC 62a_100012355270_100011215890 [1,0,0,0,0,0|3,0,0]=4 1162 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [1,0,0,0,0,0|2,0,0]=3 1163 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [1,0,0,0,0,0|3,0,0]=4 1164 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [1,0,0,0,0,0|3,0,0]=4 1165 B14R0.392 C=CCCCCCCNCCCOCC 2230a_100000210961_100011215473 [1,0,0,0,0,0|3,0,0]=4 1166 B14R0.392 C=CCCCCCCNCCCOCC 34a_100000210961_100011215473 [1,0,0,0,0,0|3,0,0]=4 1167 B14R0.392 C=CCCCCCCNCCOCCC 2230a_100161115042_100011215473 [1,0,0,0,0,0|3,0,0]=4 1168 B14R0.392 C=CCCCCCCNCCOCCC 34a_100161115042_100011215473 [1,0,0,0,0,0|3,0,0]=4 1169 B14R0.392 C=CCCCCCCNCCSCCC 2230a_100020603323_100011215473 [1,0,0,0,0,0|3,0,0]=4 1170 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [1,0,0,0,0,0|1,0,2]=4 1171 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [1,0,0,0,0,0|3,0,0]=4 1172 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [1,0,0,0,0,0|3,0,0]=4 1173 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [1,0,0,0,0,0|2,0,0]=3 1174 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [1,0,0,0,0,0|2,0,0]=3 1175 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [1,0,0,0,0,0|2,0,0]=3 1176 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [1,0,0,0,0,0|2,0,0]=3 1177 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [1,0,0,0,0,0|3,0,0]=4 1178 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [1,0,0,0,0,0|3,0,0]=4 1179 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [1,0,0,0,0,0|3,0,0]=4 1180 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [1,0,0,0,0,0|3,0,0]=4 1181 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [1,0,0,0,0,0|3,0,0]=4 1182 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [1,0,0,0,0,0|3,0,0]=4 1183 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [1,0,0,0,0,0|3,0,0]=4 1184 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [1,0,0,0,0,0|3,0,0]=4 1185 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [1,0,0,0,0,0|3,0,0]=4 1186 B14R0.392 C=CCCCCCCOCCCCOC 34a_100000740925_100011215473 [1,0,0,0,0,0|3,0,0]=4 1187 B14R0.392 C=CCCCCCCOCCCCOC 34a_200011216477_100000755781 [1,0,0,0,0,0|3,0,0]=4 1188 B14R0.392 C=CCCCCCCOCCCCOC 7a_200011216477_100000730899 [1,0,0,0,0,0|3,0,0]=4 1189 B14R0.392 C=CCCCCCCOCCCCSC 34a_100011217163_100011215473 [1,0,0,0,0,0|3,0,0]=4 1190 B14R0.392 C=CCCCCCCOCCCCSC 7a_100011217163_100011215473 [1,0,0,0,0,0|3,0,0]=4 1191 B14R0.392 C=CCCCCCCOCCCOCC 34a_100000757476_100011215473 [1,0,0,0,0,0|3,0,0]=4 1192 B14R0.392 C=CCCCCCCOCCCOCC 34a_200011216477_100012232248 [1,0,0,0,0,0|3,0,0]=4 1193 B14R0.392 C=CCCCCCCOCCCOCC 7a_100000757476_100011215473 [1,0,0,0,0,0|3,0,0]=4 1194 B14R0.392 C=CCCCCCCOCCCOCC 7a_200011216477_100012232248 [1,0,0,0,0,0|3,0,0]=4 1195 B14R0.392 C=CCCCCCCOCCCSCC 34a_100011216438_100011215473 [1,0,0,0,0,0|3,0,0]=4 1196 B14R0.392 C=CCCCCCCOCCCSCC 7a_100011216438_100011215473 [1,0,0,0,0,0|3,0,0]=4 1197 B14R0.392 C=CCCCCCCOCCOCCC 34a_100000752267_100011215473 [1,0,0,0,0,0|3,0,0]=4 1198 B14R0.392 C=CCCCCCCOCCOCCC 34a_200011216477_100011215938 [1,0,0,0,0,0|3,0,0]=4 1199 B14R0.392 C=CCCCCCCOCCOCCC 7a_100000752267_100011215473 [1,0,0,0,0,0|3,0,0]=4 1200 B14R0.392 C=CCCCCCCOCCOCCC 7a_200011216477_100011215938 [1,0,0,0,0,0|3,0,0]=4 1201 B14R0.392 C=CCCCCCCOCCSCCC 34a_200000230433_100011215473 [1,0,0,0,0,0|3,0,0]=4 1202 B14R0.392 C=CCCCCCCOCCSCCC 7a_200000230433_100011215473 [1,0,0,0,0,0|3,0,0]=4 1203 B14R0.392 C=CCCCCCCOCOCCCC 34a_200011216477_100011995733 [1,0,0,0,0,0|3,0,0]=4 1204 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [1,0,0,0,0,0|1,0,2]=4 1205 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [1,0,0,0,0,0|1,0,2]=4 1206 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [1,0,0,0,0,0|3,0,0]=4 1207 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [1,0,0,0,0,0|3,0,0]=4 1208 B14R0.392 C=CCCCCCCSCCCCOC 62a_100000730899_100011215473 [1,0,0,0,0,0|3,0,0]=4 1209 B14R0.392 C=CCCCCCCSCCCCOC 62a_100011215473_100000730899 [1,0,0,0,0,0|3,0,0]=4 1210 B14R0.392 C=CCCCCCCSCCCOCC 62a_100011215473_100012232248 [1,0,0,0,0,0|3,0,0]=4 1211 B14R0.392 C=CCCCCCCSCCCOCC 62a_100012232248_100011215473 [1,0,0,0,0,0|3,0,0]=4 1212 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215473_100011215938 [1,0,0,0,0,0|3,0,0]=4 1213 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215938_100011215473 [1,0,0,0,0,0|3,0,0]=4 1214 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011215473_100011995733 [1,0,0,0,0,0|3,0,0]=4 1215 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011995733_100011215473 [1,0,0,0,0,0|3,0,0]=4 1216 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [1,0,0,0,0,0|2,0,0]=3 1217 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [1,0,0,0,0,0|3,0,0]=4 1218 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [1,0,0,0,0,0|3,0,0]=4 1219 B14R0.392 C=CCCCCCNCCCCCOC 2230a_100000747528_100000700193 [1,0,0,0,0,0|3,0,0]=4 1220 B14R0.392 C=CCCCCCNCCCCCOC 34a_100000747528_100000700193 [1,0,0,0,0,0|3,0,0]=4 1221 B14R0.392 C=CCCCCCNCCCOCCC 2230a_100011217757_100000700193 [1,0,0,0,0,0|3,0,0]=4 1222 B14R0.392 C=CCCCCCNCCCOCCC 34a_100011217757_100000700193 [1,0,0,0,0,0|3,0,0]=4 1223 B14R0.392 C=CCCCCCNCCSCCCC 2230a_100025743550_100000700193 [1,0,0,0,0,0|3,0,0]=4 1224 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [1,0,0,0,0,0|1,0,2]=4 1225 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [1,0,0,0,0,0|3,0,0]=4 1226 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [1,0,0,0,0,0|3,0,0]=4 1227 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [1,0,0,0,0,0|2,0,0]=3 1228 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [1,0,0,0,0,0|2,0,0]=3 1229 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [1,0,0,0,0,0|2,0,0]=3 1230 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [1,0,0,0,0,0|2,0,0]=3 1231 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [1,0,0,0,0,0|3,0,0]=4 1232 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [1,0,0,0,0,0|3,0,0]=4 1233 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [1,0,0,0,0,0|3,0,0]=4 1234 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [1,0,0,0,0,0|3,0,0]=4 1235 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [1,0,0,0,0,0|3,0,0]=4 1236 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [1,0,0,0,0,0|3,0,0]=4 1237 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [1,0,0,0,0,0|3,0,0]=4 1238 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [1,0,0,0,0,0|3,0,0]=4 1239 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [1,0,0,0,0,0|3,0,0]=4 1240 B14R0.392 C=CCCCCCOCCCCCNC 34a_100000722520_100000700193 [1,0,0,0,0,0|3,0,0]=4 1241 B14R0.392 C=CCCCCCOCCOCCCC 34a_100000210238_100000700193 [1,0,0,0,0,0|3,0,0]=4 1242 B14R0.392 C=CCCCCCOCCOCCCC 34a_100011216702_100000743108 [1,0,0,0,0,0|3,0,0]=4 1243 B14R0.392 C=CCCCCCOCCOCCCC 7a_100000210238_100000700193 [1,0,0,0,0,0|3,0,0]=4 1244 B14R0.392 C=CCCCCCOCCOCCCC 7a_100011216702_100000743108 [1,0,0,0,0,0|3,0,0]=4 1245 B14R0.392 C=CCCCCCOCCSCCCC 34a_200000230436_100000700193 [1,0,0,0,0,0|3,0,0]=4 1246 B14R0.392 C=CCCCCCOCCSCCCC 7a_200000230436_100000700193 [1,0,0,0,0,0|3,0,0]=4 1247 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [1,0,0,0,0,0|1,0,2]=4 1248 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [1,0,0,0,0,0|1,0,2]=4 1249 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [1,0,0,0,0,0|3,0,0]=4 1250 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [1,0,0,0,0,0|3,0,0]=4 1251 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000700193_100000743108 [1,0,0,0,0,0|3,0,0]=4 1252 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000743108_100000700193 [1,0,0,0,0,0|3,0,0]=4 1253 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [1,0,0,0,0,0|2,0,0]=3 1254 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [1,0,0,0,0,0|2,0,0]=3 1255 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [1,0,0,0,0,0|2,0,0]=3 1256 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [1,0,0,0,0,0|2,0,0]=3 1257 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [1,0,0,0,0,0|3,0,0]=4 1258 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [1,0,0,0,0,0|3,0,0]=4 1259 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [1,0,0,0,0,0|3,0,0]=4 1260 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [1,0,0,0,0,0|3,0,0]=4 1261 B14R0.392 C=CCCCCNCCCCCCOC 2230a_100000703577_100011998445 [1,0,0,0,0,0|3,0,0]=4 1262 B14R0.392 C=CCCCCNCCCCCCOC 34a_100000703577_100011998445 [1,0,0,0,0,0|3,0,0]=4 1263 B14R0.392 C=CCCCCNCCCOCCCC 2230a_200000211371_100011215482 [1,0,0,0,0,0|3,0,0]=4 1264 B14R0.392 C=CCCCCNCCCOCCCC 34a_200000211371_100011215482 [1,0,0,0,0,0|3,0,0]=4 1265 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [1,0,0,0,0,0|3,0,0]=4 1266 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [1,0,0,0,0,0|3,0,0]=4 1267 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [1,0,0,0,0,0|2,0,0]=3 1268 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [1,0,0,0,0,0|2,0,0]=3 1269 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [1,0,0,0,0,0|2,0,0]=3 1270 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [1,0,0,0,0,0|2,0,0]=3 1271 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [1,0,0,0,0,0|3,0,0]=4 1272 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [1,0,0,0,0,0|3,0,0]=4 1273 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [1,0,0,0,0,0|3,0,0]=4 1274 B14R0.392 C=CCCCCOCCCCCCOC 34a_100000766645_100011998445 [1,0,0,0,0,0|3,0,0]=4 1275 B14R0.392 C=CCCCCOCCCCCCOC 34a_200012092642_100011215482 [1,0,0,0,0,0|3,0,0]=4 1276 B14R0.392 C=CCCCCOCCCCCCOC 7a_100000766645_100011998445 [1,0,0,0,0,0|3,0,0]=4 1277 B14R0.392 C=CCCCCOCCCCCCOC 7a_200012092642_100011215482 [1,0,0,0,0,0|3,0,0]=4 1278 B14R0.392 C=CCCCCOCCCOCCCC 34a_200011215613_100011215482 [1,0,0,0,0,0|3,0,0]=4 1279 B14R0.392 C=CCCCCOCCCOCCCC 7a_200011215613_100011215482 [1,0,0,0,0,0|3,0,0]=4 1280 B14R0.392 C=CCCCCOCCNCCCCC 34a_100000224656_100011215482 [1,0,0,0,0,0|3,0,0]=4 1281 B14R0.392 C=CCCCCOCCOCCCCC 34a_100011215259_100011215482 [1,0,0,0,0,0|3,0,0]=4 1282 B14R0.392 C=CCCCCOCCOCCCCC 7a_100011215259_100011215482 [1,0,0,0,0,0|3,0,0]=4 1283 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [1,0,0,0,0,0|3,0,0]=4 1284 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [1,0,0,0,0,0|3,0,0]=4 1285 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011215482_100011998445 [1,0,0,0,0,0|3,0,0]=4 1286 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011998445_100011215482 [1,0,0,0,0,0|3,0,0]=4 1287 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [1,0,0,0,0,0|2,0,0]=3 1288 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [1,0,0,0,0,0|2,0,0]=3 1289 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [1,0,0,0,0,0|2,0,0]=3 1290 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [1,0,0,0,0,0|2,0,0]=3 1291 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [1,0,0,0,0,0|3,0,0]=4 1292 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [1,0,0,0,0,0|3,0,0]=4 1293 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [1,0,0,0,0,0|3,0,0]=4 1294 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [1,0,0,0,0,0|3,0,0]=4 1295 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [1,0,0,0,0,0|3,0,0]=4 1296 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [1,0,0,0,0,0|3,0,0]=4 1297 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [1,0,0,0,0,0|2,0,0]=3 1298 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [1,0,0,0,0,0|2,0,0]=3 1299 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [1,0,0,0,0,0|2,0,0]=3 1300 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [1,0,0,0,0,0|2,0,0]=3 1301 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [1,0,0,0,0,0|3,0,0]=4 1302 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [1,0,0,0,0,0|3,0,0]=4 1303 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [1,0,0,0,0,0|3,0,0]=4 1304 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [1,0,0,0,0,0|3,0,0]=4 1305 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [1,0,0,0,0,0|3,0,0]=4 1306 B14R0.392 C=CCCCOCCCCNCCCC 34a_200011216965_100000757094 [1,0,0,0,0,0|3,0,0]=4 1307 B14R0.392 C=CCCCOCCCCOCCCC 34a_200000760531_100000757094 [1,0,0,0,0,0|3,0,0]=4 1308 B14R0.392 C=CCCCOCCCCOCCCC 7a_200000760531_100000757094 [1,0,0,0,0,0|3,0,0]=4 1309 B14R0.392 C=CCCCOCCOCCCCCC 34a_100000691444_100000757094 [1,0,0,0,0,0|3,0,0]=4 1310 B14R0.392 C=CCCCOCCOCCCCCC 7a_100000691444_100000757094 [1,0,0,0,0,0|3,0,0]=4 1311 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [1,0,0,0,0,0|3,0,0]=4 1312 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [1,0,0,0,0,0|3,0,0]=4 1313 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [1,0,0,0,0,0|2,0,0]=3 1314 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [1,0,0,0,0,0|2,0,0]=3 1315 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [1,0,0,0,0,0|2,0,0]=3 1316 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [1,0,0,0,0,0|3,0,0]=4 1317 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [1,0,0,0,0,0|3,0,0]=4 1318 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [1,0,0,0,0,0|3,0,0]=4 1319 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [1,0,0,0,0,0|3,0,0]=4 1320 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [1,0,0,0,0,0|3,0,0]=4 1321 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [1,0,0,0,0,0|2,0,0]=3 1322 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [1,0,0,0,0,0|2,0,0]=3 1323 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [1,0,0,0,0,0|2,0,0]=3 1324 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [1,0,0,0,0,0|3,0,0]=4 1325 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [1,0,0,0,0,0|3,0,0]=4 1326 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [1,0,0,0,0,0|3,0,0]=4 1327 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [1,0,0,0,0,0|3,0,0]=4 1328 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [1,0,0,0,0,0|3,0,0]=4 1329 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [1,0,0,0,0,0|3,0,0]=4 1330 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [1,0,0,0,0,0|2,0,0]=3 1331 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [1,0,0,0,0,0|2,0,0]=3 1332 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [1,0,0,0,0,0|2,0,0]=3 1333 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [1,0,0,0,0,0|3,0,0]=4 1334 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [1,0,0,0,0,0|3,0,0]=4 1335 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [1,0,0,0,0,0|3,0,0]=4 1336 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [1,0,0,0,0,0|3,0,0]=4 1337 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [1,0,0,0,0,0|3,0,0]=4 1338 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [1,0,0,0,0,0|2,0,0]=3 1339 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [1,0,0,0,0,0|2,0,0]=3 1340 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [1,0,0,0,0,0|2,0,0]=3 1341 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [1,0,0,0,0,0|3,0,0]=4 1342 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [1,0,0,0,0,0|3,0,0]=4 1343 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [1,0,0,0,0,0|3,0,0]=4 1344 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [1,0,0,0,0,0|3,0,0]=4 1345 B14R0.392 C=CCOCCOCCCCCCCC 34a_100000037705_100000210759 [1,0,0,0,0,0|3,0,0]=4 1346 B14R0.392 C=CCOCCOCCCCCCCC 7a_100000037705_100000210759 [1,0,0,0,0,0|3,0,0]=4 1347 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [1,0,0,0,0,0|3,0,0]=4 1348 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [1,0,0,0,0,0|3,0,0]=4 1349 B14R0.392 C=COCCCCOCCCCCCC 34a_100000031558_100000210614 [1,0,0,0,0,0|3,0,0]=4 1350 B14R0.392 C=COCCCCOCCCCCCC 7a_100000031558_100000210614 [1,0,0,0,0,0|3,0,0]=4 1351 B14R0.392 C=COCCCNCCCCCCCC 2230a_100000210767_100000210759 [1,0,0,0,0,0|3,0,0]=4 1352 B14R0.392 C=COCCCNCCCCCCCC 34a_100000210767_100000210759 [1,0,0,0,0,0|3,0,0]=4 1353 B14R0.392 C=COCCNCCCCCCCCC 2230a_100000212291_100000039644 [1,0,0,0,0,0|3,0,0]=4 1354 B14R0.392 C=COCCNCCCCCCCCC 34a_100000212291_100000039644 [1,0,0,0,0,0|3,0,0]=4 1355 B14R0.392 C=COCCOCCCCCCCCC 34a_100000033082_100011214924 [1,0,0,0,0,0|3,0,0]=4 1356 B14R0.392 C=COCCOCCCCCCCCC 34a_100000210712_100000039644 [1,0,0,0,0,0|3,0,0]=4 1357 B14R0.392 C=COCCOCCCCCCCCC 7a_100000210712_100000039644 [1,0,0,0,0,0|3,0,0]=4 1358 B14R0.392 C=COCCSCCCCCCCCC 62a_100000039644_100000210670 [1,0,0,0,0,0|3,0,0]=4 1359 B14R0.392 CC/C=C/CCCOCCCCCC=O 7a_100016287902_100000139337 [1,0,0,0,0,0|1,0,2]=4 1360 B14R0.392 CC/C=C\CCCCCOCCCC=O 7a_100016268722_200011292268 [1,0,0,0,0,0|1,0,2]=4 1361 B14R0.392 CC/C=C\CCCCOCCCCC=O 7a_100016287862_100000139335 [1,0,0,0,0,0|1,0,2]=4 1362 B14R0.392 CC=CCCCOCCCCCCCC 34a_100020645299_100000210759 [1,0,0,0,0,0|2,0,1]=4 1363 B14R0.392 CC=CCNCCCCCCCCCC 2230a_100000684558_100000070051 [1,0,0,0,0,0|2,0,1]=4 1364 B14R0.392 CC=CCNCCCCCCCCCC 34a_100000684558_100000070051 [1,0,0,0,0,0|2,0,1]=4 1365 B14R0.392 CC=CCOCCCCCCCCCC 34a_100000210711_100000070051 [1,0,0,0,0,0|2,0,1]=4 1366 B14R0.392 CC=CCOCCCCCCCCCC 7a_100000210711_100000070051 [1,0,0,0,0,0|2,0,1]=4 1367 B14R0.392 CCCC#CCCOCCCCCC=O 7a_100000042726_100000139337 [1,0,0,0,0,0|1,0,2]=4 1368 B14R0.392 CCCC/C=C/COCCCCCC=O 7a_200016272032_100000139337 [1,0,0,0,0,0|1,0,2]=4 1369 B14R0.392 CCCC/C=C\CCOCCCCC=O 7a_200016286491_100000139335 [1,0,0,0,0,0|1,0,2]=4 1370 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200000047210_200011292268 [1,0,0,0,0,0|1,0,2]=4 1371 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200011292268_200000047210 [1,0,0,0,0,0|1,0,2]=4 1372 B14R0.392 CCCCC#CCCOCCCCC=O 7a_100000037610_100000139335 [1,0,0,0,0,0|1,0,2]=4 1373 B14R0.392 CCCCC#CCOCCCCCC=O 7a_200000034558_100000139337 [1,0,0,0,0,0|1,0,2]=4 1374 B14R0.392 CCCCC/C=C/COCCCCC=O 7a_100016258190_100000139335 [1,0,0,0,0,0|1,0,2]=4 1375 B14R0.392 CCCCC/C=C\CCOCCCC=O 7a_100016277358_200011292268 [1,0,0,0,0,0|1,0,2]=4 1376 B14R0.392 CCCCCC#CCCOCCCC=O 7a_200000042877_200011292268 [1,0,0,0,0,0|1,0,2]=4 1377 B14R0.392 CCCCCC#CCOCCCCC=O 7a_200000033628_100000139335 [1,0,0,0,0,0|1,0,2]=4 1378 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100000139335_100009816472 [1,0,0,0,0,0|1,0,2]=4 1379 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100009816472_100000139335 [1,0,0,0,0,0|1,0,2]=4 1380 B14R0.392 CCCCCC/C=C/COCCCC=O 7a_200016276170_200011292268 [1,0,0,0,0,0|1,0,2]=4 1381 B14R0.392 CCCCCCC#CCOCCCC=O 7a_200000037284_200011292268 [1,0,0,0,0,0|1,0,2]=4 1382 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [1,0,0,0,0,0|1,0,2]=4 1383 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [1,0,0,0,0,0|1,0,2]=4 1384 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [1,0,0,0,0,0|2,0,0]=3 1385 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [1,0,0,0,0,0|2,0,0]=3 1386 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [1,0,0,0,0,0|2,0,0]=3 1387 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [1,0,0,0,0,0|2,0,0]=3 1388 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [1,0,0,0,0,0|2,0,0]=3 1389 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [1,0,0,0,0,0|2,0,0]=3 1390 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [1,0,0,0,0,0|2,0,0]=3 1391 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [1,0,0,0,0,0|2,0,0]=3 1392 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [1,0,0,0,0,0|2,0,0]=3 1393 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [1,0,0,0,0,0|2,0,0]=3 1394 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [1,0,0,0,0,0|2,0,0]=3 1395 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [1,0,0,0,0,0|2,0,0]=3 1396 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [1,0,0,0,0,0|2,0,0]=3 1397 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [1,0,0,0,0,0|2,0,1]=4 1398 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [1,0,0,0,0,0|2,0,1]=4 1399 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [1,0,0,0,0,0|2,0,1]=4 1400 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [1,0,0,0,0,0|2,0,1]=4 1401 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [1,0,0,0,0,0|2,0,1]=4 1402 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [1,0,0,0,0,0|2,0,1]=4 1403 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [1,0,0,0,0,0|2,0,1]=4 1404 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [1,0,0,0,0,0|2,0,1]=4 1405 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [1,0,0,0,0,0|2,0,1]=4 1406 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [1,0,0,0,0,0|2,0,1]=4 1407 B14R0.392 CCCCCCCCCCCNCC#N 2230a_200011215754_100011215382 [1,0,0,0,0,0|2,0,1]=4 1408 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [1,0,0,0,0,0|1,0,0]=2 1409 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [1,0,0,0,0,0|1,0,0]=2 1410 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [1,0,0,0,0,0|2,0,1]=4 1411 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [1,0,0,0,0,0|2,0,1]=4 1412 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [1,0,0,0,0,0|2,0,1]=4 1413 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [1,0,0,0,0,0|2,0,1]=4 1414 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [1,0,0,0,0,0|2,0,1]=4 1415 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [1,0,0,0,0,0|1,0,1]=3 1416 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [1,0,0,0,0,0|1,0,1]=3 1417 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [1,0,0,0,0,0|1,0,1]=3 1418 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [1,0,0,0,0,0|1,0,1]=3 1419 B14R0.392 CCCCCCCCCCCNCOC 2230a_200011215754_100000766300 [1,0,0,0,0,0|3,0,0]=4 1420 B14R0.392 CCCCCCCCCCCNCSC 2230a_200011215754_100011218213 [1,0,0,0,0,0|3,0,0]=4 1421 B14R0.392 CCCCCCCCCCCNCSC 34a_200011215754_100011218213 [1,0,0,0,0,0|3,0,0]=4 1422 B14R0.392 CCCCCCCCCCCOCC#N 7a_100000210809_100011215382 [1,0,0,0,0,0|2,0,1]=4 1423 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [1,0,0,0,0,0|1,0,0]=2 1424 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [1,0,0,0,0,0|1,0,0]=2 1425 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [1,0,0,0,0,0|2,0,1]=4 1426 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [1,0,0,0,0,0|2,0,1]=4 1427 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [1,0,0,0,0,0|2,0,1]=4 1428 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [1,0,0,0,0,0|2,0,1]=4 1429 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [1,0,0,0,0,0|2,0,1]=4 1430 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [1,0,0,0,0,0|2,0,1]=4 1431 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [1,0,0,0,0,0|2,0,1]=4 1432 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [1,0,0,0,0,0|1,0,1]=3 1433 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [1,0,0,0,0,0|1,0,1]=3 1434 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [1,0,0,0,0,0|3,0,0]=4 1435 B14R0.392 CCCCCCCCCCCSCC#N 62a_100011215382_100011215454 [1,0,0,0,0,0|2,0,1]=4 1436 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [1,0,0,0,0,0|1,0,0]=2 1437 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [1,0,0,0,0,0|1,0,1]=3 1438 B14R0.392 CCCCCCCCCCCSCOC 62a_100000766300_100011215454 [1,0,0,0,0,0|3,0,0]=4 1439 B14R0.392 CCCCCCCCCCNCCC#N 2230a_100000684558_100011215226 [1,0,0,0,0,0|2,0,1]=4 1440 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [1,0,0,0,0,0|2,0,1]=4 1441 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [1,0,0,0,0,0|2,0,1]=4 1442 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [1,0,0,0,0,0|2,0,1]=4 1443 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [1,0,0,0,0,0|2,0,1]=4 1444 B14R0.392 CCCCCCCCCCNCCCF 2230a_100000684558_100011934791 [1,0,0,0,0,0|2,0,1]=4 1445 B14R0.392 CCCCCCCCCCNCCCF 2230a_100015189416_100000210320 [1,0,0,0,0,0|2,0,1]=4 1446 B14R0.392 CCCCCCCCCCNCCCF 34a_100000684558_100011934791 [1,0,0,0,0,0|2,0,1]=4 1447 B14R0.392 CCCCCCCCCCNCCCF 34a_100015189416_100000210320 [1,0,0,0,0,0|2,0,1]=4 1448 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [1,0,0,0,0,0|1,0,1]=3 1449 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [1,0,0,0,0,0|1,0,1]=3 1450 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000209980_100000210320 [1,0,0,0,0,0|3,0,0]=4 1451 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000684558_100011201679 [1,0,0,0,0,0|3,0,0]=4 1452 B14R0.392 CCCCCCCCCCNCCOC 34a_100000684558_100011201679 [1,0,0,0,0,0|3,0,0]=4 1453 B14R0.392 CCCCCCCCCCNCCSC 2230a_100000684558_100000751147 [1,0,0,0,0,0|3,0,0]=4 1454 B14R0.392 CCCCCCCCCCNCCSC 2230a_100020590264_100000210320 [1,0,0,0,0,0|3,0,0]=4 1455 B14R0.392 CCCCCCCCCCNCCSC 34a_100000684558_100000212216 [1,0,0,0,0,0|3,0,0]=4 1456 B14R0.392 CCCCCCCCCCOCCC#N 7a_100000210711_100000184422 [1,0,0,0,0,0|2,0,1]=4 1457 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [1,0,0,0,0,0|2,0,1]=4 1458 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [1,0,0,0,0,0|2,0,1]=4 1459 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [1,0,0,0,0,0|2,0,1]=4 1460 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [1,0,0,0,0,0|2,0,1]=4 1461 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [1,0,0,0,0,0|2,0,1]=4 1462 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [1,0,0,0,0,0|2,0,1]=4 1463 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [1,0,0,0,0,0|2,0,1]=4 1464 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [1,0,0,0,0,0|2,0,1]=4 1465 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [1,0,0,0,0,0|2,0,1]=4 1466 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [1,0,0,0,0,0|2,0,1]=4 1467 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [1,0,0,0,0,0|1,0,1]=3 1468 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [1,0,0,0,0,0|1,0,1]=3 1469 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210237_100000210320 [1,0,0,0,0,0|3,0,0]=4 1470 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210711_100011201679 [1,0,0,0,0,0|3,0,0]=4 1471 B14R0.392 CCCCCCCCCCOCCOC 7a_100000210711_100000233755 [1,0,0,0,0,0|3,0,0]=4 1472 B14R0.392 CCCCCCCCCCOCCON 34a_100000700252_100000210320 [1,0,0,0,0,0|3,0,0]=4 1473 B14R0.392 CCCCCCCCCCOCCSC 34a_100000210711_100000212216 [1,0,0,0,0,0|3,0,0]=4 1474 B14R0.392 CCCCCCCCCCOCCSC 34a_100000230434_100000210320 [1,0,0,0,0,0|3,0,0]=4 1475 B14R0.392 CCCCCCCCCCOCCSC 7a_100000210711_100000212216 [1,0,0,0,0,0|3,0,0]=4 1476 B14R0.392 CCCCCCCCCCOCCSC 7a_100000230434_100000210320 [1,0,0,0,0,0|3,0,0]=4 1477 B14R0.392 CCCCCCCCCCSCCC#N 62a_100011215226_100000210320 [1,0,0,0,0,0|2,0,1]=4 1478 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [1,0,0,0,0,0|1,0,1]=3 1479 B14R0.392 CCCCCCCCCCSCCOC 34a_100011628728_200000210301 [1,0,0,0,0,0|3,0,0]=4 1480 B14R0.392 CCCCCCCCCCSCCOC 62a_100000233755_100000210320 [1,0,0,0,0,0|3,0,0]=4 1481 B14R0.392 CCCCCCCCCCSCCOC 7a_100011628728_200000210301 [1,0,0,0,0,0|3,0,0]=4 1482 B14R0.392 CCCCCCCCCCSCCO[13CH3] 34a_100011628728_200025704644 [1,0,0,0,0,0|3,0,0]=4 1483 B14R0.392 CCCCCCCCCCSCCO[13CH3] 7a_100011628728_200025704644 [1,0,0,0,0,0|3,0,0]=4 1484 B14R0.392 CCCCCCCCCNCCCC#N 2230a_100000212291_100000687738 [1,0,0,0,0,0|2,0,1]=4 1485 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [1,0,0,0,0,0|1,0,0]=2 1486 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [1,0,0,0,0,0|2,0,1]=4 1487 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [1,0,0,0,0,0|2,0,1]=4 1488 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [1,0,0,0,0,0|2,0,1]=4 1489 B14R0.392 CCCCCCCCCNCCCCF 2230a_100000212291_100000729493 [1,0,0,0,0,0|2,0,1]=4 1490 B14R0.392 CCCCCCCCCNCCCCF 34a_100000212291_100000729493 [1,0,0,0,0,0|2,0,1]=4 1491 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [1,0,0,0,0,0|1,0,1]=3 1492 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [1,0,0,0,0,0|1,0,1]=3 1493 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [1,0,0,0,0,0|1,0,1]=3 1494 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [1,0,0,0,0,0|1,0,1]=3 1495 B14R0.392 CCCCCCCCCNCCCOC 2230a_100000212291_100000740836 [1,0,0,0,0,0|3,0,0]=4 1496 B14R0.392 CCCCCCCCCNCCCOC 34a_100000212291_100000740836 [1,0,0,0,0,0|3,0,0]=4 1497 B14R0.392 CCCCCCCCCNCCCOC 34a_100150723488_100011214924 [1,0,0,0,0,0|3,0,0]=4 1498 B14R0.392 CCCCCCCCCNCCCSC 2230a_100000749238_100011214924 [1,0,0,0,0,0|3,0,0]=4 1499 B14R0.392 CCCCCCCCCOCCCC#N 7a_100000210712_100000687738 [1,0,0,0,0,0|2,0,1]=4 1500 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [1,0,0,0,0,0|1,0,0]=2 1501 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [1,0,0,0,0,0|2,0,1]=4 1502 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [1,0,0,0,0,0|2,0,1]=4 1503 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [1,0,0,0,0,0|2,0,1]=4 1504 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [1,0,0,0,0,0|2,0,1]=4 1505 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [1,0,0,0,0,0|2,0,1]=4 1506 B14R0.392 CCCCCCCCCOCCCCCl 34a_100000210776_100011214924 [1,0,0,0,0,0|2,0,1]=4 1507 B14R0.392 CCCCCCCCCOCCCCCl 7a_100000210776_100000210328 [1,0,0,0,0,0|2,0,1]=4 1508 B14R0.392 CCCCCCCCCOCCCCF 34a_100000210712_100000729493 [1,0,0,0,0,0|2,0,1]=4 1509 B14R0.392 CCCCCCCCCOCCCCF 34a_100011995726_100011214924 [1,0,0,0,0,0|2,0,1]=4 1510 B14R0.392 CCCCCCCCCOCCCCF 7a_100000210712_100000729493 [1,0,0,0,0,0|2,0,1]=4 1511 B14R0.392 CCCCCCCCCOCCCCF 7a_100011995726_100000210328 [1,0,0,0,0,0|2,0,1]=4 1512 B14R0.392 CCCCCCCCCOCCCCI 34a_200012148704_100011214924 [1,0,0,0,0,0|2,0,1]=4 1513 B14R0.392 CCCCCCCCCOCCCCN 34a_100000750430_100011214924 [1,0,0,0,0,0|2,0,1]=4 1514 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [1,0,0,0,0,0|1,0,1]=3 1515 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [1,0,0,0,0,0|1,0,1]=3 1516 B14R0.392 CCCCCCCCCOCCCNC 34a_100000213112_100011214924 [1,0,0,0,0,0|3,0,0]=4 1517 B14R0.392 CCCCCCCCCOCCCOC 34a_100000210712_100000740836 [1,0,0,0,0,0|3,0,0]=4 1518 B14R0.392 CCCCCCCCCOCCCOC 34a_100000740835_100011214924 [1,0,0,0,0,0|3,0,0]=4 1519 B14R0.392 CCCCCCCCCOCCCOC 7a_100000210712_100000740836 [1,0,0,0,0,0|3,0,0]=4 1520 B14R0.392 CCCCCCCCCOCCCSC 34a_100000690336_100011214924 [1,0,0,0,0,0|3,0,0]=4 1521 B14R0.392 CCCCCCCCCOCCCSC 7a_100000690336_100000210328 [1,0,0,0,0,0|3,0,0]=4 1522 B14R0.392 CCCCCCCCCSCCCC#N 62a_100000687738_100000210670 [1,0,0,0,0,0|2,0,1]=4 1523 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [1,0,0,0,0,0|1,0,0]=2 1524 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [1,0,0,0,0,0|1,0,1]=3 1525 B14R0.392 CCCCCCCCCSCCCOC 62a_100000709357_100000210670 [1,0,0,0,0,0|3,0,0]=4 1526 B14R0.392 CCCCCCCCNCCCCC#N 2230a_100000229939_100000211819 [1,0,0,0,0,0|2,0,1]=4 1527 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [1,0,0,0,0,0|1,0,0]=2 1528 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [1,0,0,0,0,0|2,0,1]=4 1529 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [1,0,0,0,0,0|2,0,1]=4 1530 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [1,0,0,0,0,0|2,0,1]=4 1531 B14R0.392 CCCCCCCCNCCCCCF 2230a_100000229939_100000729378 [1,0,0,0,0,0|2,0,1]=4 1532 B14R0.392 CCCCCCCCNCCCCCF 34a_100000229939_100000729378 [1,0,0,0,0,0|2,0,1]=4 1533 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [1,0,0,0,0,0|1,0,1]=3 1534 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [1,0,0,0,0,0|1,0,1]=3 1535 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [1,0,0,0,0,0|1,0,1]=3 1536 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [1,0,0,0,0,0|1,0,1]=3 1537 B14R0.392 CCCCCCCCNCCCCOC 2230a_100000229939_100000730899 [1,0,0,0,0,0|3,0,0]=4 1538 B14R0.392 CCCCCCCCNCCCCOC 34a_100000229939_100000755781 [1,0,0,0,0,0|3,0,0]=4 1539 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000211614_100000210759 [1,0,0,0,0,0|2,0,1]=4 1540 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000229939_100011215305 [1,0,0,0,0,0|2,0,1]=4 1541 B14R0.392 CCCCCCCCNCCOCCO 34a_100000211614_100000210759 [1,0,0,0,0,0|2,0,1]=4 1542 B14R0.392 CCCCCCCCNCCOCCO 34a_100000229939_100000692535 [1,0,0,0,0,0|2,0,1]=4 1543 B14R0.392 CCCCCCCCNCCSCCO 2230a_100011219999_100000210759 [1,0,0,0,0,0|2,0,1]=4 1544 B14R0.392 CCCCCCCCOCCCCC#N 7a_100000210232_100000211819 [1,0,0,0,0,0|2,0,1]=4 1545 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [1,0,0,0,0,0|1,0,0]=2 1546 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [1,0,0,0,0,0|2,0,1]=4 1547 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [1,0,0,0,0,0|2,0,1]=4 1548 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [1,0,0,0,0,0|2,0,1]=4 1549 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [1,0,0,0,0,0|2,0,1]=4 1550 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [1,0,0,0,0,0|2,0,1]=4 1551 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [1,0,0,0,0,0|2,0,1]=4 1552 B14R0.392 CCCCCCCCOCCCCCCl 34a_100000746330_100000210759 [1,0,0,0,0,0|2,0,1]=4 1553 B14R0.392 CCCCCCCCOCCCCCCl 7a_100000746330_100000210759 [1,0,0,0,0,0|2,0,1]=4 1554 B14R0.392 CCCCCCCCOCCCCCF 34a_100000210232_100000729378 [1,0,0,0,0,0|2,0,1]=4 1555 B14R0.392 CCCCCCCCOCCCCCF 7a_100000210232_100000729378 [1,0,0,0,0,0|2,0,1]=4 1556 B14R0.392 CCCCCCCCOCCCCCI 34a_200012148887_100000210759 [1,0,0,0,0,0|2,0,1]=4 1557 B14R0.392 CCCCCCCCOCCCCCI 7a_200012148887_100000210759 [1,0,0,0,0,0|2,0,1]=4 1558 B14R0.392 CCCCCCCCOCCCCCN 34a_100000762737_100000210759 [1,0,0,0,0,0|2,0,1]=4 1559 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [1,0,0,0,0,0|1,0,1]=3 1560 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [1,0,0,0,0,0|1,0,1]=3 1561 B14R0.392 CCCCCCCCOCCCCOC 34a_100000210232_100000755781 [1,0,0,0,0,0|3,0,0]=4 1562 B14R0.392 CCCCCCCCOCCCCOC 34a_100000740925_100000210759 [1,0,0,0,0,0|3,0,0]=4 1563 B14R0.392 CCCCCCCCOCCCCOC 7a_100000210232_100000730899 [1,0,0,0,0,0|3,0,0]=4 1564 B14R0.392 CCCCCCCCOCCCCSC 34a_100011217163_100000210759 [1,0,0,0,0,0|3,0,0]=4 1565 B14R0.392 CCCCCCCCOCCCCSC 7a_100011217163_100000210759 [1,0,0,0,0,0|3,0,0]=4 1566 B14R0.392 CCCCCCCCOCCOCCO 34a_100000210232_100000692535 [1,0,0,0,0,0|2,0,1]=4 1567 B14R0.392 CCCCCCCCOCCOCCO 7a_100000210232_100011215305 [1,0,0,0,0,0|2,0,1]=4 1568 B14R0.392 CCCCCCCCSCCCCC#N 62a_100000210759_100000211819 [1,0,0,0,0,0|2,0,1]=4 1569 B14R0.392 CCCCCCCCSCCCCC#N 62a_100011219923_100000210317 [1,0,0,0,0,0|2,0,1]=4 1570 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [1,0,0,0,0,0|1,0,0]=2 1571 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [1,0,0,0,0,0|1,0,0]=2 1572 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [1,0,0,0,0,0|1,0,1]=3 1573 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [1,0,0,0,0,0|1,0,1]=3 1574 B14R0.392 CCCCCCCCSCCCCOC 62a_100000210759_100000730899 [1,0,0,0,0,0|3,0,0]=4 1575 B14R0.392 CCCCCCCCSCCCCOC 62a_100000730899_100000210317 [1,0,0,0,0,0|3,0,0]=4 1576 B14R0.392 CCCCCCCCSCCOCCO 62a_100000210759_100011215305 [1,0,0,0,0,0|2,0,1]=4 1577 B14R0.392 CCCCCCCCSCCOCCO 62a_100011215305_100000210317 [1,0,0,0,0,0|2,0,1]=4 1578 B14R0.392 CCCCCCCNCCCCCC#N 2230a_100000229938_100009813376 [1,0,0,0,0,0|2,0,1]=4 1579 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [1,0,0,0,0,0|1,0,0]=2 1580 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [1,0,0,0,0,0|2,0,1]=4 1581 B14R0.392 CCCCCCCNCCCCCCF 2230a_100000229938_100015922095 [1,0,0,0,0,0|2,0,1]=4 1582 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [1,0,0,0,0,0|1,0,1]=3 1583 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [1,0,0,0,0,0|1,0,1]=3 1584 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [1,0,0,0,0,0|1,0,1]=3 1585 B14R0.392 CCCCCCCNCCCCCOC 2230a_100000747528_100000210681 [1,0,0,0,0,0|3,0,0]=4 1586 B14R0.392 CCCCCCCNCCCCCOC 34a_100000747528_100000210614 [1,0,0,0,0,0|3,0,0]=4 1587 B14R0.392 CCCCCCCOCCCCCC#N 7a_100000210272_100009813376 [1,0,0,0,0,0|2,0,1]=4 1588 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [1,0,0,0,0,0|1,0,0]=2 1589 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [1,0,0,0,0,0|2,0,1]=4 1590 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [1,0,0,0,0,0|2,0,1]=4 1591 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [1,0,0,0,0,0|2,0,1]=4 1592 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [1,0,0,0,0,0|2,0,1]=4 1593 B14R0.392 CCCCCCCOCCCCCCCl 34a_100000766143_100000210614 [1,0,0,0,0,0|2,0,1]=4 1594 B14R0.392 CCCCCCCOCCCCCCCl 7a_100000766143_100000210614 [1,0,0,0,0,0|2,0,1]=4 1595 B14R0.392 CCCCCCCOCCCCCCF 34a_100000210272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1596 B14R0.392 CCCCCCCOCCCCCCF 34a_100000732779_100000210614 [1,0,0,0,0,0|2,0,1]=4 1597 B14R0.392 CCCCCCCOCCCCCCF 7a_100000210272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1598 B14R0.392 CCCCCCCOCCCCCCF 7a_100000732779_100000210614 [1,0,0,0,0,0|2,0,1]=4 1599 B14R0.392 CCCCCCCOCCCCCCN 34a_100000686447_100000210614 [1,0,0,0,0,0|2,0,1]=4 1600 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [1,0,0,0,0,0|1,0,1]=3 1601 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [1,0,0,0,0,0|1,0,1]=3 1602 B14R0.392 CCCCCCCOCCCCCNC 34a_100000722520_100000210614 [1,0,0,0,0,0|3,0,0]=4 1603 B14R0.392 CCCCCCCSCCCCCC#N 62a_100000210614_100009813376 [1,0,0,0,0,0|2,0,1]=4 1604 B14R0.392 CCCCCCCSCCCCCC#N 62a_100009813376_100000210316 [1,0,0,0,0,0|2,0,1]=4 1605 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [1,0,0,0,0,0|1,0,0]=2 1606 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [1,0,0,0,0,0|1,0,0]=2 1607 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [1,0,0,0,0,0|1,0,1]=3 1608 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [1,0,0,0,0,0|1,0,1]=3 1609 B14R0.392 CCCCCCNCCCCCCC#N 2230a_100000210581_100009813337 [1,0,0,0,0,0|2,0,1]=4 1610 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [1,0,0,0,0,0|1,0,1]=3 1611 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [1,0,0,0,0,0|1,0,1]=3 1612 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [1,0,0,0,0,0|1,0,1]=3 1613 B14R0.392 CCCCCCNCCCCCCOC 2230a_100000210581_100011998445 [1,0,0,0,0,0|3,0,0]=4 1614 B14R0.392 CCCCCCNCCCOCCCO 2230a_100011310245_100000210314 [1,0,0,0,0,0|2,0,1]=4 1615 B14R0.392 CCCCCCNCCCOCCCO 34a_100011310245_100000210314 [1,0,0,0,0,0|2,0,1]=4 1616 B14R0.392 CCCCCCOCCCCCCC#N 7a_100000210259_100009813337 [1,0,0,0,0,0|2,0,1]=4 1617 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [1,0,0,0,0,0|2,0,1]=4 1618 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [1,0,0,0,0,0|2,0,1]=4 1619 B14R0.392 CCCCCCOCCCCCCCN 34a_100011996573_100000210314 [1,0,0,0,0,0|2,0,1]=4 1620 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [1,0,0,0,0,0|1,0,1]=3 1621 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [1,0,0,0,0,0|1,0,1]=3 1622 B14R0.392 CCCCCCOCCCCCCOC 34a_100000210259_100011998445 [1,0,0,0,0,0|3,0,0]=4 1623 B14R0.392 CCCCCCOCCCCCCOC 34a_200012092642_100000210314 [1,0,0,0,0,0|3,0,0]=4 1624 B14R0.392 CCCCCCOCCCCCCOC 7a_100000210259_100011998445 [1,0,0,0,0,0|3,0,0]=4 1625 B14R0.392 CCCCCCOCCCCCCOC 7a_200012092642_100000210314 [1,0,0,0,0,0|3,0,0]=4 1626 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [1,0,0,0,0,0|2,0,0]=3 1627 B14R0.392 CCCCCCOCCOCCCCO 34a_100000691444_100011216708 [1,0,0,0,0,0|2,0,1]=4 1628 B14R0.392 CCCCCCOCCOCCCCO 7a_100000691444_100000210776 [1,0,0,0,0,0|2,0,1]=4 1629 B14R0.392 CCCCCCSCCCCCCC#N 62a_100000210314_100009813337 [1,0,0,0,0,0|2,0,1]=4 1630 B14R0.392 CCCCCCSCCCCCCC#N 62a_100009813337_100000210757 [1,0,0,0,0,0|2,0,1]=4 1631 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [1,0,0,0,0,0|1,0,1]=3 1632 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [1,0,0,0,0,0|1,0,1]=3 1633 B14R0.392 CCCCCCSCCCCCCOC 62a_100000210314_100011998445 [1,0,0,0,0,0|3,0,0]=4 1634 B14R0.392 CCCCCCSCCCCCCOC 62a_100011998445_100000210757 [1,0,0,0,0,0|3,0,0]=4 1635 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [1,0,0,0,0,0|1,0,1]=3 1636 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [1,0,0,0,0,0|1,0,1]=3 1637 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [1,0,0,0,0,0|1,0,1]=3 1638 B14R0.392 CCCCCNCCOCCCCCO 34a_100000224656_100000746330 [1,0,0,0,0,0|2,0,1]=4 1639 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [1,0,0,0,0,0|2,0,1]=4 1640 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [1,0,0,0,0,0|2,0,1]=4 1641 B14R0.392 CCCCCOCCCCCCCCCl 34a_100000033203_100000718602 [1,0,0,0,0,0|2,0,1]=4 1642 B14R0.392 CCCCCOCCCCCCCCCl 7a_100000033203_100000210326 [1,0,0,0,0,0|2,0,1]=4 1643 B14R0.392 CCCCCOCCCCCCCCN 34a_102515433106_100000718602 [1,0,0,0,0,0|2,0,1]=4 1644 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [1,0,0,0,0,0|1,0,1]=3 1645 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [1,0,0,0,0,0|1,0,1]=3 1646 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [1,0,0,0,0,0|2,0,0]=3 1647 B14R0.392 CCCCCOCCOCCCCCO 34a_100011215259_100000746330 [1,0,0,0,0,0|2,0,1]=4 1648 B14R0.392 CCCCCOCCOCCCCCO 7a_100011215259_100000746330 [1,0,0,0,0,0|2,0,1]=4 1649 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [1,0,0,0,0,0|1,0,1]=3 1650 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [1,0,0,0,0,0|1,0,1]=3 1651 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [1,0,0,0,0,0|1,0,1]=3 1652 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [1,0,0,0,0,0|1,0,1]=3 1653 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [1,0,0,0,0,0|1,0,1]=3 1654 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [1,0,0,0,0,0|1,0,1]=3 1655 B14R0.392 CCCCNCCCCOCCCCO 34a_200011216965_100011216708 [1,0,0,0,0,0|2,0,1]=4 1656 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [1,0,0,0,0,0|2,0,1]=4 1657 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [1,0,0,0,0,0|2,0,1]=4 1658 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [1,0,0,0,0,0|2,0,1]=4 1659 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [1,0,0,0,0,0|2,0,1]=4 1660 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [1,0,0,0,0,0|2,0,1]=4 1661 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [1,0,0,0,0,0|1,0,1]=3 1662 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [1,0,0,0,0,0|1,0,1]=3 1663 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [1,0,0,0,0,0|2,0,0]=3 1664 B14R0.392 CCCCOCCCCOCCCCO 34a_200000760531_100011216708 [1,0,0,0,0,0|2,0,1]=4 1665 B14R0.392 CCCCOCCCCOCCCCO 7a_200000760531_100000210776 [1,0,0,0,0,0|2,0,1]=4 1666 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [1,0,0,0,0,0|2,0,0]=3 1667 B14R0.392 CCCCOCCCNCCCCCO 2230a_200000211371_100000746330 [1,0,0,0,0,0|2,0,1]=4 1668 B14R0.392 CCCCOCCCNCCCCCO 34a_200000211371_100000746330 [1,0,0,0,0,0|2,0,1]=4 1669 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [1,0,0,0,0,0|2,0,0]=3 1670 B14R0.392 CCCCOCCCOCCCCCO 34a_200011215613_100000746330 [1,0,0,0,0,0|2,0,1]=4 1671 B14R0.392 CCCCOCCCOCCCCCO 7a_200011215613_100000746330 [1,0,0,0,0,0|2,0,1]=4 1672 B14R0.392 CCCCOCCNCCCCCCO 2230a_100000686447_100000743108 [1,0,0,0,0,0|2,0,1]=4 1673 B14R0.392 CCCCOCCNCCCCCCO 34a_100000686447_100000743108 [1,0,0,0,0,0|2,0,1]=4 1674 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [1,0,0,0,0,0|2,0,0]=3 1675 B14R0.392 CCCCOCCOCCCCCCO 34a_100000210238_100000766143 [1,0,0,0,0,0|2,0,1]=4 1676 B14R0.392 CCCCOCCOCCCCCCO 7a_100000210238_100000766143 [1,0,0,0,0,0|2,0,1]=4 1677 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [1,0,0,0,0,0|2,0,0]=3 1678 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [1,0,0,0,0,0|2,0,0]=3 1679 B14R0.392 CCCCOCCSCCCCCCO 62a_100000743108_100000766143 [1,0,0,0,0,0|2,0,1]=4 1680 B14R0.392 CCCCOCCSCCCCCCO 62a_100000766143_100000743108 [1,0,0,0,0,0|2,0,1]=4 1681 B14R0.392 CCCCOCNCCCCCCCO 2230a_100011996573_100011995733 [1,0,0,0,0,0|2,0,1]=4 1682 B14R0.392 CCCCOCNCCCCCCCO 34a_100011996573_100011995733 [1,0,0,0,0,0|2,0,1]=4 1683 B14R0.392 CCCCOCSCCCCCCCO 62a_100000760002_100011995733 [1,0,0,0,0,0|2,0,1]=4 1684 B14R0.392 CCCCOCSCCCCCCCO 62a_100011995733_100000760002 [1,0,0,0,0,0|2,0,1]=4 1685 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [1,0,0,0,0,0|1,0,1]=3 1686 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [1,0,0,0,0,0|1,0,1]=3 1687 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [1,0,0,0,0,0|2,0,0]=3 1688 B14R0.392 CCCCSCCNCCCCCCO 2230a_100025743550_100000766143 [1,0,0,0,0,0|2,0,1]=4 1689 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [1,0,0,0,0,0|2,0,0]=3 1690 B14R0.392 CCCCSCCOCCCCCCO 34a_200000230436_100000766143 [1,0,0,0,0,0|2,0,1]=4 1691 B14R0.392 CCCCSCCOCCCCCCO 7a_200000230436_100000766143 [1,0,0,0,0,0|2,0,1]=4 1692 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [1,0,0,0,0,0|1,0,1]=3 1693 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [1,0,0,0,0,0|1,0,1]=3 1694 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [1,0,0,0,0,0|2,0,1]=4 1695 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [1,0,0,0,0,0|2,0,1]=4 1696 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [1,0,0,0,0,0|2,0,1]=4 1697 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [1,0,0,0,0,0|2,0,1]=4 1698 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [1,0,0,0,0,0|2,0,1]=4 1699 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [1,0,0,0,0,0|1,0,1]=3 1700 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [1,0,0,0,0,0|2,0,0]=3 1701 B14R0.392 CCCOCCCNCCCCCCO 2230a_100011217757_100000766143 [1,0,0,0,0,0|2,0,1]=4 1702 B14R0.392 CCCOCCCNCCCCCCO 34a_100011217757_100000766143 [1,0,0,0,0,0|2,0,1]=4 1703 B14R0.392 CCCOCCNCCCCCCCO 2230a_100011996573_100011215938 [1,0,0,0,0,0|2,0,1]=4 1704 B14R0.392 CCCOCCNCCCCCCCO 2230a_100161115042_100000760002 [1,0,0,0,0,0|2,0,1]=4 1705 B14R0.392 CCCOCCNCCCCCCCO 34a_100011996573_100011215938 [1,0,0,0,0,0|2,0,1]=4 1706 B14R0.392 CCCOCCNCCCCCCCO 34a_100161115042_100000760002 [1,0,0,0,0,0|2,0,1]=4 1707 B14R0.392 CCCOCCOCCCCCCCO 34a_100000752267_100000760002 [1,0,0,0,0,0|2,0,1]=4 1708 B14R0.392 CCCOCCOCCCCCCCO 7a_100000752267_100000760002 [1,0,0,0,0,0|2,0,1]=4 1709 B14R0.392 CCCOCCOCCNCCCC=O 2230a_200011904461_200011292268 [1,0,0,0,0,0|3,0,0]=4 1710 B14R0.392 CCCOCCSCCCCCCCO 62a_100000760002_100011215938 [1,0,0,0,0,0|2,0,1]=4 1711 B14R0.392 CCCOCCSCCCCCCCO 62a_100011215938_100000760002 [1,0,0,0,0,0|2,0,1]=4 1712 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [1,0,0,0,0,0|1,0,1]=3 1713 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [1,0,0,0,0,0|1,0,1]=3 1714 B14R0.392 CCCSCCNCCCCCCCO 2230a_100020603323_100000760002 [1,0,0,0,0,0|2,0,1]=4 1715 B14R0.392 CCCSCCOCCCCCCCO 34a_200000230433_100000760002 [1,0,0,0,0,0|2,0,1]=4 1716 B14R0.392 CCCSCCOCCCCCCCO 7a_200000230433_100000760002 [1,0,0,0,0,0|2,0,1]=4 1717 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [1,0,0,0,0,0|1,0,1]=3 1718 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [1,0,0,0,0,0|2,0,1]=4 1719 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [1,0,0,0,0,0|2,0,1]=4 1720 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [1,0,0,0,0,0|1,0,1]=3 1721 B14R0.392 CCOCCCNCCCCCCCO 2230a_100000210961_100000760002 [1,0,0,0,0,0|2,0,1]=4 1722 B14R0.392 CCOCCCNCCCCCCCO 2230a_100011996573_100012232248 [1,0,0,0,0,0|2,0,1]=4 1723 B14R0.392 CCOCCCNCCCCCCCO 34a_100000210961_100000760002 [1,0,0,0,0,0|2,0,1]=4 1724 B14R0.392 CCOCCCNCCCCCCCO 34a_100011996573_100012232248 [1,0,0,0,0,0|2,0,1]=4 1725 B14R0.392 CCOCCCOCCCCCCCO 34a_100000757476_100000760002 [1,0,0,0,0,0|2,0,1]=4 1726 B14R0.392 CCOCCCOCCCCCCCO 7a_100000757476_100000760002 [1,0,0,0,0,0|2,0,1]=4 1727 B14R0.392 CCOCCCSCCCCCCCO 62a_100000760002_100012232248 [1,0,0,0,0,0|2,0,1]=4 1728 B14R0.392 CCOCCCSCCCCCCCO 62a_100012232248_100000760002 [1,0,0,0,0,0|2,0,1]=4 1729 B14R0.392 CCOCCNCCCCCCCCO 2230a_102515433106_100011215890 [1,0,0,0,0,0|2,0,1]=4 1730 B14R0.392 CCOCCNCCCCCCCCO 2230a_102516460346_100000033203 [1,0,0,0,0,0|2,0,1]=4 1731 B14R0.392 CCOCCNCCCCCCCCO 34a_102515433106_100000210147 [1,0,0,0,0,0|2,0,1]=4 1732 B14R0.392 CCOCCNCCCCCCCCO 34a_102516460346_100000033203 [1,0,0,0,0,0|2,0,1]=4 1733 B14R0.392 CCOCCOCCCCCCCCO 34a_100000210136_100000033203 [1,0,0,0,0,0|2,0,1]=4 1734 B14R0.392 CCOCCOCCCCCCCCO 7a_100000210136_100000033203 [1,0,0,0,0,0|2,0,1]=4 1735 B14R0.392 CCOCCOCCNCCCCC=O 2230a_100102712874_100000139335 [1,0,0,0,0,0|3,0,0]=4 1736 B14R0.392 CCOCCOCCOCCCCC=O 7a_100000210240_100000139335 [1,0,0,0,0,0|3,0,0]=4 1737 B14R0.392 CCOCCOCCSCCCCC=O 62a_100000139335_100011211534 [1,0,0,0,0,0|3,0,0]=4 1738 B14R0.392 CCOCCOCCSCCCCC=O 62a_100011211534_100000139335 [1,0,0,0,0,0|3,0,0]=4 1739 B14R0.392 CCOCCSCCCCCCCCO 62a_100000033203_100011215890 [1,0,0,0,0,0|2,0,1]=4 1740 B14R0.392 CCOCCSCCCCCCCCO 62a_100000210147_100000033203 [1,0,0,0,0,0|2,0,1]=4 1741 B14R0.392 CCOCSCCCCCCCCCO 62a_100000739092_100009813782 [1,0,0,0,0,0|2,0,1]=4 1742 B14R0.392 CCOCSCCCCCCCCCO 62a_100009813782_100000739092 [1,0,0,0,0,0|2,0,1]=4 1743 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [1,0,0,0,0,0|1,0,1]=3 1744 B14R0.392 CCSCCCOCCCCCCCO 34a_100011216438_100000760002 [1,0,0,0,0,0|2,0,1]=4 1745 B14R0.392 CCSCCCOCCCCCCCO 7a_100011216438_100000760002 [1,0,0,0,0,0|2,0,1]=4 1746 B14R0.392 CCSCCNCCCCCCCCO 2230a_100000106463_100000033203 [1,0,0,0,0,0|2,0,1]=4 1747 B14R0.392 CCSCCNCCCCCCCCO 2230a_102515433106_100000757381 [1,0,0,0,0,0|2,0,1]=4 1748 B14R0.392 CCSCCNCCCCCCCCO 34a_102515433106_100000757381 [1,0,0,0,0,0|2,0,1]=4 1749 B14R0.392 CCSCCOCCCCCCCCO 34a_100000212035_100000033203 [1,0,0,0,0,0|2,0,1]=4 1750 B14R0.392 CCSCCOCCCCCCCCO 7a_100000212035_100000033203 [1,0,0,0,0,0|2,0,1]=4 1751 B14R0.392 CCSCCSCCCCCCCCO 62a_100000033203_100000757381 [1,0,0,0,0,0|2,0,1]=4 1752 B14R0.392 CCSCCSCCCCCCCCO 62a_100000757381_100000033203 [1,0,0,0,0,0|2,0,1]=4 1753 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [1,0,0,0,0,0|1,0,1]=3 1754 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [1,0,0,0,0,0|1,0,1]=3 1755 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [1,0,0,0,0,0|1,0,1]=3 1756 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [1,0,0,0,0,0|1,0,1]=3 1757 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [1,0,0,0,0,0|1,0,1]=3 1758 B14R0.392 CNCCCCCCOCCCCCO 2230a_106832991635_200132310570 [1,0,0,0,0,0|2,0,1]=4 1759 B14R0.392 CNCCCCCCOCCCCCO 34a_100102657272_200132310570 [1,0,0,0,0,0|2,0,1]=4 1760 B14R0.392 CNCCCCCCOCCCCCO 7a_106832991635_200132310570 [1,0,0,0,0,0|2,0,1]=4 1761 B14R0.392 CNCCCCCOCCCCCCO 34a_100000722520_100000766143 [1,0,0,0,0,0|2,0,1]=4 1762 B14R0.392 CNCCCOCCCCCCCCO 34a_100000213112_100000033203 [1,0,0,0,0,0|2,0,1]=4 1763 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [1,0,0,0,0,0|2,0,1]=4 1764 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [1,0,0,0,0,0|2,0,1]=4 1765 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [1,0,0,0,0,0|2,0,1]=4 1766 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [1,0,0,0,0,0|1,0,1]=3 1767 B14R0.392 COCCCCCCNCCCCCO 2230a_100000762737_100011998445 [1,0,0,0,0,0|2,0,1]=4 1768 B14R0.392 COCCCCCCNCCCCCO 34a_100000762737_100011998445 [1,0,0,0,0,0|2,0,1]=4 1769 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [1,0,0,0,0,0|2,0,0]=3 1770 B14R0.392 COCCCCCCOCCCCCO 34a_100138415774_200132310570 [1,0,0,0,0,0|2,0,1]=4 1771 B14R0.392 COCCCCCCOCCCCCO 34a_200012092642_100000746330 [1,0,0,0,0,0|2,0,1]=4 1772 B14R0.392 COCCCCCCOCCCCCO 7a_200012092642_100000746330 [1,0,0,0,0,0|2,0,1]=4 1773 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [1,0,0,0,0,0|2,0,0]=3 1774 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [1,0,0,0,0,0|2,0,0]=3 1775 B14R0.392 COCCCCCCSCCCCCO 62a_100000746330_100011998445 [1,0,0,0,0,0|2,0,1]=4 1776 B14R0.392 COCCCCCCSCCCCCO 62a_100011998445_100000746330 [1,0,0,0,0,0|2,0,1]=4 1777 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [1,0,0,0,0,0|2,0,0]=3 1778 B14R0.392 COCCCCCNCCCCCCO 2230a_100000747528_100000766143 [1,0,0,0,0,0|2,0,1]=4 1779 B14R0.392 COCCCCCNCCCCCCO 34a_100000747528_100000766143 [1,0,0,0,0,0|2,0,1]=4 1780 B14R0.392 COCCCCNCCCCCCCO 2230a_100011996573_100000730899 [1,0,0,0,0,0|2,0,1]=4 1781 B14R0.392 COCCCCNCCCCCCCO 34a_100011996573_100000755781 [1,0,0,0,0,0|2,0,1]=4 1782 B14R0.392 COCCCCOCCCCCCCO 34a_100000740925_100000760002 [1,0,0,0,0,0|2,0,1]=4 1783 B14R0.392 COCCCCSCCCCCCCO 62a_100000730899_100000760002 [1,0,0,0,0,0|2,0,1]=4 1784 B14R0.392 COCCCCSCCCCCCCO 62a_100000760002_100000730899 [1,0,0,0,0,0|2,0,1]=4 1785 B14R0.392 COCCCNCCCCCCCCO 2230a_102515433106_100000740836 [1,0,0,0,0,0|2,0,1]=4 1786 B14R0.392 COCCCNCCCCCCCCO 34a_100150723488_100000033203 [1,0,0,0,0,0|2,0,1]=4 1787 B14R0.392 COCCCNCCCCCCCCO 34a_102515433106_100000740836 [1,0,0,0,0,0|2,0,1]=4 1788 B14R0.392 COCCCOCCCCCCCCO 34a_100000740835_100000033203 [1,0,0,0,0,0|2,0,1]=4 1789 B14R0.392 COCCCOCCCOCCCC=O 7a_200011215475_200011292268 [1,0,0,0,0,0|3,0,0]=4 1790 B14R0.392 COCCCSCCCCCCCCO 62a_100000033203_100000709357 [1,0,0,0,0,0|2,0,1]=4 1791 B14R0.392 COCCCSCCCCCCCCO 62a_100000709357_100000033203 [1,0,0,0,0,0|2,0,1]=4 1792 B14R0.392 COCCNCCCCCCCCCO 2230a_100000078944_100011201679 [1,0,0,0,0,0|2,0,1]=4 1793 B14R0.392 COCCNCCCCCCCCCO 2230a_100000209980_100009813782 [1,0,0,0,0,0|2,0,1]=4 1794 B14R0.392 COCCNCCCCCCCCCO 34a_100000078944_100011201679 [1,0,0,0,0,0|2,0,1]=4 1795 B14R0.392 COCCOCCCCCCCCCO 34a_100000210237_100009813782 [1,0,0,0,0,0|2,0,1]=4 1796 B14R0.392 COCCOCCCNCCCCC=O 2230a_100000206027_100000139335 [1,0,0,0,0,0|3,0,0]=4 1797 B14R0.392 COCCOCCCSCCCCC=O 62a_100000139335_100011216529 [1,0,0,0,0,0|3,0,0]=4 1798 B14R0.392 COCCOCCCSCCCCC=O 62a_100011216529_100000139335 [1,0,0,0,0,0|3,0,0]=4 1799 B14R0.392 COCCOCCNCCCCCC=O 2230a_100000745349_100000139337 [1,0,0,0,0,0|3,0,0]=4 1800 B14R0.392 COCCOCCOCCCCCC=O 7a_100011215163_100000139337 [1,0,0,0,0,0|3,0,0]=4 1801 B14R0.392 COCCOCCSCCCCCC=O 62a_100000139337_100000695917 [1,0,0,0,0,0|3,0,0]=4 1802 B14R0.392 COCCOCCSCCCCCC=O 62a_100000695917_100000139337 [1,0,0,0,0,0|3,0,0]=4 1803 B14R0.392 COCCSCCCCCCCCCO 62a_100000233755_100009813782 [1,0,0,0,0,0|2,0,1]=4 1804 B14R0.392 COCCSCCCCCCCCCO 62a_100009813782_100000233755 [1,0,0,0,0,0|2,0,1]=4 1805 B14R0.392 COCNCCCCCCCCCCO 2230a_100000066964_100000766300 [1,0,0,0,0,0|2,0,1]=4 1806 B14R0.392 COCSCCCCCCCCCCO 62a_100000766300_200000033068 [1,0,0,0,0,0|2,0,1]=4 1807 B14R0.392 COCSCCCCCCCCCCO 62a_100009813290_100000766300 [1,0,0,0,0,0|2,0,1]=4 1808 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [1,0,0,0,0,0|1,0,1]=3 1809 B14R0.392 CSCCCCCCOCCCCCO 62a_200000210301_200132310570 [1,0,0,0,0,0|2,0,1]=4 1810 B14R0.392 CSCCCCCCOCCCCCO 62a_200132310570_200000210301 [1,0,0,0,0,0|2,0,1]=4 1811 B14R0.392 CSCCCCOCCCCCCCO 34a_100011217163_100000760002 [1,0,0,0,0,0|2,0,1]=4 1812 B14R0.392 CSCCCCOCCCCCCCO 7a_100011217163_100000760002 [1,0,0,0,0,0|2,0,1]=4 1813 B14R0.392 CSCCCNCCCCCCCCO 2230a_100000749238_100000033203 [1,0,0,0,0,0|2,0,1]=4 1814 B14R0.392 CSCCCOCCCCCCCCO 34a_100000690336_100000033203 [1,0,0,0,0,0|2,0,1]=4 1815 B14R0.392 CSCCCOCCCCCCCCO 7a_100000690336_100000033203 [1,0,0,0,0,0|2,0,1]=4 1816 B14R0.392 CSCCNCCCCCCCCCO 2230a_100000078944_100000751147 [1,0,0,0,0,0|2,0,1]=4 1817 B14R0.392 CSCCNCCCCCCCCCO 2230a_100020590264_100009813782 [1,0,0,0,0,0|2,0,1]=4 1818 B14R0.392 CSCCNCCCCCCCCCO 34a_100000078944_100000212216 [1,0,0,0,0,0|2,0,1]=4 1819 B14R0.392 CSCCOCCCCCCCCCO 34a_100000230434_100009813782 [1,0,0,0,0,0|2,0,1]=4 1820 B14R0.392 CSCCOCCCCCCCCCO 7a_100000230434_100009813782 [1,0,0,0,0,0|2,0,1]=4 1821 B14R0.392 CSCCSCCCCCCCCCO 62a_100000212216_100009813782 [1,0,0,0,0,0|2,0,1]=4 1822 B14R0.392 CSCCSCCCCCCCCCO 62a_100009813782_100000751147 [1,0,0,0,0,0|2,0,1]=4 1823 B14R0.392 CSCNCCCCCCCCCCO 2230a_100000066964_100011218213 [1,0,0,0,0,0|2,0,1]=4 1824 B14R0.392 CSCNCCCCCCCCCCO 34a_100000066964_100011218213 [1,0,0,0,0,0|2,0,1]=4 1825 B14R0.392 CSCSCCCCCCCCCCO 62a_100009813290_100011218213 [1,0,0,0,0,0|2,0,1]=4 1826 B14R0.392 CSCSCCCCCCCCCCO 62a_100011218213_200000033068 [1,0,0,0,0,0|2,0,1]=4 1827 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [1,0,0,0,0,0|2,0,1]=4 1828 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [1,0,0,0,0,0|2,0,1]=4 1829 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [1,0,0,0,0,0|2,0,1]=4 1830 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [1,0,0,0,0,0|2,0,1]=4 1831 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [1,0,0,0,0,0|2,0,0]=3 1832 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [1,0,0,0,0,0|2,0,1]=4 1833 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [1,0,0,0,0,0|2,0,1]=4 1834 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [1,0,0,0,0,0|2,0,1]=4 1835 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [1,0,0,0,0,0|2,0,1]=4 1836 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [1,0,0,0,0,0|2,0,1]=4 1837 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [1,0,0,0,0,0|2,0,1]=4 1838 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [1,0,0,0,0,0|2,0,1]=4 1839 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [1,0,0,0,0,0|2,0,1]=4 1840 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [1,0,0,0,0,0|2,0,1]=4 1841 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [1,0,0,0,0,0|2,0,0]=3 1842 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [1,0,0,0,0,0|2,0,0]=3 1843 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [1,0,0,0,0,0|2,0,0]=3 1844 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [1,0,0,0,0,0|2,0,0]=3 1845 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [1,0,0,0,0,0|2,0,1]=4 1846 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [1,0,0,0,0,0|2,0,0]=3 1847 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [1,0,0,0,0,0|2,0,0]=3 1848 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [1,0,0,0,0,0|2,0,0]=3 1849 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [1,0,0,0,0,0|2,0,0]=3 1850 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [1,0,0,0,0,0|2,0,0]=3 1851 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [1,0,0,0,0,0|3,0,0]=4 1852 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [1,0,0,0,0,0|2,0,0]=3 1853 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [1,0,0,0,0,0|2,0,0]=3 1854 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [1,0,0,0,0,0|2,0,0]=3 1855 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [1,0,0,0,0,0|2,0,0]=3 1856 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [1,0,0,0,0,0|2,0,0]=3 1857 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [1,0,0,0,0,0|2,0,0]=3 1858 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [1,0,0,0,0,0|2,0,0]=3 1859 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [1,0,0,0,0,0|2,0,0]=3 1860 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [1,0,0,0,0,0|2,0,0]=3 1861 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [1,0,0,0,0,0|2,0,0]=3 1862 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [1,0,0,0,0,0|2,0,0]=3 1863 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [1,0,0,0,0,0|2,0,0]=3 1864 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [1,0,0,0,0,0|2,0,0]=3 1865 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [1,0,0,0,0,0|2,0,0]=3 1866 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [1,0,0,0,0,0|2,0,0]=3 1867 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [1,0,0,0,0,0|2,0,0]=3 1868 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [1,0,0,0,0,0|2,0,1]=4 1869 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [1,0,0,0,0,0|2,0,1]=4 1870 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [1,0,0,0,0,0|2,0,1]=4 1871 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [1,0,0,0,0,0|2,0,1]=4 1872 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [1,0,0,0,0,0|2,0,1]=4 1873 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [1,0,0,0,0,0|2,0,1]=4 1874 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [1,0,0,0,0,0|2,0,1]=4 1875 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [1,0,0,0,0,0|2,0,1]=4 1876 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [1,0,0,0,0,0|2,0,1]=4 1877 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [1,0,0,0,0,0|2,0,1]=4 1878 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [1,0,0,0,0,0|2,0,1]=4 1879 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [1,0,0,0,0,0|2,0,1]=4 1880 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [1,0,0,0,0,0|2,0,1]=4 1881 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [1,0,0,0,0,0|2,0,1]=4 1882 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [1,0,0,0,0,0|2,0,1]=4 1883 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [1,0,0,0,0,0|2,0,1]=4 1884 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [1,0,0,0,0,0|2,0,1]=4 1885 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [1,0,0,0,0,0|2,0,1]=4 1886 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [1,0,0,0,0,0|2,0,1]=4 1887 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [1,0,0,0,0,0|2,0,1]=4 1888 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [1,0,0,0,0,0|2,0,1]=4 1889 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [1,0,0,0,0,0|2,0,1]=4 1890 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [1,0,0,0,0,0|2,0,1]=4 1891 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [1,0,0,0,0,0|2,0,1]=4 1892 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [1,0,0,0,0,0|2,0,1]=4 1893 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [1,0,0,0,0,0|2,0,1]=4 1894 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [1,0,0,0,0,0|2,0,1]=4 1895 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [1,0,0,0,0,0|2,0,1]=4 1896 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [1,0,0,0,0,0|2,0,1]=4 1897 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [1,0,0,0,0,0|2,0,1]=4 1898 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [1,0,0,0,0,0|2,0,1]=4 1899 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [1,0,0,0,0,0|2,0,1]=4 1900 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [1,0,0,0,0,0|2,0,1]=4 1901 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [1,0,0,0,0,0|2,0,1]=4 1902 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [1,0,0,0,0,0|2,0,1]=4 1903 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [1,0,0,0,0,0|2,0,1]=4 1904 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [1,0,0,0,0,0|2,0,1]=4 1905 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [1,0,0,0,0,0|2,0,1]=4 1906 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [1,0,0,0,0,0|2,0,1]=4 1907 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [1,0,0,0,0,0|2,0,1]=4 1908 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [1,0,0,0,0,0|2,0,1]=4 1909 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [1,0,0,0,0,0|2,0,1]=4 1910 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [1,0,0,0,0,0|2,0,1]=4 1911 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [1,0,0,0,0,0|2,0,1]=4 1912 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [1,0,0,0,0,0|2,0,1]=4 1913 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [1,0,0,0,0,0|2,0,1]=4 1914 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [1,0,0,0,0,0|2,0,1]=4 1915 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [1,0,0,0,0,0|2,0,1]=4 1916 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [1,0,0,0,0,0|2,0,1]=4 1917 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [1,0,0,0,0,0|2,0,1]=4 1918 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [1,0,0,0,0,0|2,0,1]=4 1919 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [1,0,0,0,0,0|2,0,1]=4 1920 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [1,0,0,0,0,0|2,0,1]=4 1921 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [1,0,0,0,0,0|2,0,1]=4 1922 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [1,0,0,0,0,0|2,0,1]=4 1923 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [1,0,0,0,0,0|2,0,1]=4 1924 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [1,0,0,0,0,0|2,0,1]=4 1925 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [1,0,0,0,0,0|2,0,1]=4 1926 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [1,0,0,0,0,0|2,0,1]=4 1927 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [1,0,0,0,0,0|2,0,1]=4 1928 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [1,0,0,0,0,0|2,0,1]=4 1929 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [1,0,0,0,0,0|2,0,1]=4 1930 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [1,0,0,0,0,0|2,0,1]=4 1931 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [1,0,0,0,0,0|2,0,1]=4 1932 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [1,0,0,0,0,0|2,0,1]=4 1933 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [1,0,0,0,0,0|2,0,1]=4 1934 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [1,0,0,0,0,0|2,0,1]=4 1935 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [1,0,0,0,0,0|2,0,1]=4 1936 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [1,0,0,0,0,0|2,0,1]=4 1937 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [1,0,0,0,0,0|2,0,1]=4 1938 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [1,0,0,0,0,0|2,0,1]=4 1939 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [1,0,0,0,0,0|2,0,1]=4 1940 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [1,0,0,0,0,0|2,0,1]=4 1941 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [1,0,0,0,0,0|2,0,1]=4 1942 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [1,0,0,0,0,0|2,0,1]=4 1943 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [1,0,0,0,0,0|2,0,1]=4 1944 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [1,0,0,0,0,0|2,0,1]=4 1945 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [1,0,0,0,0,0|2,0,1]=4 1946 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [1,0,0,0,0,0|2,0,1]=4 1947 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [1,0,0,0,0,0|2,0,1]=4 1948 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [1,0,0,0,0,0|2,0,1]=4 1949 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [1,0,0,0,0,0|2,0,1]=4 1950 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [1,0,0,0,0,0|2,0,1]=4 1951 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [1,0,0,0,0,0|2,0,1]=4 1952 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [1,0,0,0,0,0|2,0,1]=4 1953 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [1,0,0,0,0,0|1,0,1]=3 1954 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [1,0,0,0,0,0|1,0,1]=3 1955 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [1,0,0,0,0,0|2,0,1]=4 1956 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [1,0,0,0,0,0|2,0,1]=4 1957 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [1,0,0,0,0,0|2,0,1]=4 1958 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [1,0,0,0,0,0|1,0,1]=3 1959 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200025704644_200132310570 [1,0,0,0,0,0|2,0,1]=4 1960 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200132310570_200025704644 [1,0,0,0,0,0|2,0,1]=4 1961 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [1,0,0,0,0,0|3,0,0]=4 1962 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [1,0,0,0,0,0|3,0,0]=4 1963 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [1,0,0,0,0,0|3,0,0]=4 1964 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [1,0,0,0,0,0|3,0,0]=4 1965 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [1,0,0,0,0,0|3,0,0]=4 1966 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [1,0,0,0,0,0|3,0,0]=4 1967 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [1,0,0,0,0,0|3,0,0]=4 1968 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [1,0,0,0,0,0|3,0,0]=4 1969 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [1,0,0,0,0,0|3,0,0]=4 1970 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [1,0,0,0,0,0|3,0,0]=4 1971 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [1,0,0,0,0,0|3,0,0]=4 1972 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [1,0,0,0,0,0|3,0,0]=4 1973 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [1,0,0,0,0,0|3,0,0]=4 1974 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [1,0,0,0,0,0|3,0,0]=4 1975 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [1,0,0,0,0,0|3,0,0]=4 1976 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [1,0,0,0,0,0|1,0,2]=4 1977 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [1,0,0,0,0,0|1,0,2]=4 1978 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [1,0,0,0,0,0|2,0,0]=3 1979 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [1,0,0,0,0,0|3,0,0]=4 1980 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [1,0,0,0,0,0|3,0,0]=4 1981 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [1,0,0,0,0,0|3,0,0]=4 1982 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [1,0,0,0,0,0|3,0,0]=4 1983 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [1,0,0,0,0,0|3,0,0]=4 1984 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [1,0,0,0,0,0|3,0,0]=4 1985 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [1,0,0,0,0,0|3,0,0]=4 1986 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [1,0,0,0,0,0|3,0,0]=4 1987 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [1,0,0,0,0,0|3,0,0]=4 1988 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [1,0,0,0,0,0|3,0,0]=4 1989 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [1,0,0,0,0,0|3,0,0]=4 1990 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [1,0,0,0,0,0|3,0,0]=4 1991 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [1,0,0,0,0,0|3,0,0]=4 1992 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [1,0,0,0,0,0|3,0,0]=4 1993 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [1,0,0,0,0,0|3,0,0]=4 1994 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [1,0,0,0,0,0|3,0,0]=4 1995 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [1,0,0,0,0,0|3,0,0]=4 1996 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [1,0,0,0,0,0|3,0,0]=4 1997 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [1,0,0,0,0,0|3,0,0]=4 1998 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [1,0,0,0,0,0|3,0,0]=4 1999 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [1,0,0,0,0,0|3,0,0]=4 2000 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [1,0,0,0,0,0|3,0,0]=4 2001 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [1,0,0,0,0,0|3,0,0]=4 2002 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [1,0,0,0,0,0|3,0,0]=4 2003 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [1,0,0,0,0,0|3,0,0]=4 2004 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [1,0,0,0,0,0|3,0,0]=4 2005 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [1,0,0,0,0,0|3,0,0]=4 2006 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [1,0,0,0,0,0|3,0,0]=4 2007 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [1,0,0,0,0,0|1,0,2]=4 2008 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [1,0,0,0,0,0|1,0,2]=4 2009 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [1,0,0,0,0,0|1,0,0]=2 2010 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [1,0,0,0,0,0|1,0,0]=2 2011 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [1,0,0,0,0,0|1,0,0]=2 2012 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [1,0,0,0,0,0|3,0,0]=4 2013 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [1,0,0,0,0,0|3,0,0]=4 2014 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [1,0,0,0,0,0|3,0,0]=4 2015 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [1,0,0,0,0,0|3,0,0]=4 2016 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [1,0,0,0,0,0|3,0,0]=4 2017 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [1,0,0,0,0,0|3,0,0]=4 2018 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [1,0,0,0,0,0|3,0,0]=4 2019 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [1,0,0,0,0,0|2,0,0]=3 2020 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [1,0,0,0,0,0|2,0,0]=3 2021 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [1,0,0,0,0,0|2,0,0]=3 2022 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [1,0,0,0,0,0|2,0,0]=3 2023 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [1,0,0,0,0,0|2,0,0]=3 2024 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [1,0,0,0,0,0|2,0,0]=3 2025 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [1,0,0,0,0,0|2,0,0]=3 2026 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [1,0,0,0,0,0|1,0,0]=2 2027 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [1,0,0,0,0,0|1,0,1]=3 2028 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [1,0,0,0,0,0|2,0,1]=4 2029 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [1,0,0,0,0,0|2,0,1]=4 2030 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [1,0,0,0,0,0|2,0,1]=4 2031 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [1,0,0,0,0,0|2,0,1]=4 2032 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [1,0,0,0,0,0|2,0,1]=4 2033 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [1,0,0,0,0,0|2,0,1]=4 2034 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [1,0,0,0,0,0|2,0,1]=4 2035 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [1,0,0,0,0,0|2,0,0]=3 2036 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [1,0,0,0,0,0|2,0,0]=3 2037 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [1,0,0,0,0,0|2,0,0]=3 2038 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [1,0,0,0,0,0|1,0,1]=3 2039 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [1,0,0,0,0,0|2,0,1]=4 2040 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [1,0,0,0,0,0|2,0,1]=4 2041 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [1,0,0,0,0,0|2,0,1]=4 2042 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [1,0,0,0,0,0|2,0,1]=4 2043 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [1,0,0,0,0,0|2,0,1]=4 2044 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [1,0,0,0,0,0|2,0,0]=3 2045 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [1,0,0,0,0,0|1,0,1]=3 2046 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [1,0,0,0,0,0|2,0,1]=4 2047 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [1,0,0,0,0,0|2,0,1]=4 2048 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [1,0,0,0,0,0|2,0,0]=3 2049 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [1,0,0,0,0,0|2,0,0]=3 2050 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [1,0,0,0,0,0|2,0,1]=4 2051 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [1,0,0,0,0,0|2,0,1]=4 2052 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [1,0,0,0,0,0|2,0,1]=4 2053 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [1,0,0,0,0,0|3,0,0]=4 2054 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [1,0,0,0,0,0|2,0,0]=3 2055 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [1,0,0,0,0,0|2,0,0]=3 2056 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [1,0,0,0,0,0|2,0,0]=3 2057 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [1,0,0,0,0,0|2,0,0]=3 2058 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [1,0,0,0,0,0|2,0,0]=3 2059 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [1,0,0,0,0,0|2,0,0]=3 2060 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [1,0,0,0,0,0|2,0,0]=3 2061 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [1,0,0,0,0,0|2,0,0]=3 2062 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [1,0,0,0,0,0|2,0,1]=4 2063 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [1,0,0,0,0,0|2,0,1]=4 2064 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [1,0,0,0,0,0|3,0,0]=4 2065 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [1,0,0,0,0,0|2,0,0]=3 2066 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [1,0,0,0,0,0|2,0,0]=3 2067 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [1,0,0,0,0,0|2,0,1]=4 2068 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [1,0,0,0,0,0|3,0,0]=4 2069 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [1,0,0,0,0,0|2,0,0]=3 2070 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [1,0,0,0,0,0|2,0,0]=3 2071 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [1,0,0,0,0,0|2,0,0]=3 2072 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [1,0,0,0,0,0|2,0,1]=4 2073 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [1,0,0,0,0,0|2,0,1]=4 2074 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [1,0,0,0,0,0|3,0,0]=4 2075 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [1,0,0,0,0,0|3,0,0]=4 2076 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [1,0,0,0,0,0|3,0,0]=4 2077 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [1,0,0,0,0,0|3,0,0]=4 2078 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [1,0,0,0,0,0|3,0,0]=4 2079 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [1,0,0,0,0,0|3,0,0]=4 2080 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [1,0,0,0,0,0|3,0,0]=4 2081 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [1,0,0,0,0,0|2,0,0]=3 2082 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [1,0,0,0,0,0|2,0,0]=3 2083 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [1,0,0,0,0,0|2,0,0]=3 2084 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [1,0,0,0,0,0|2,0,0]=3 2085 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [1,0,0,0,0,0|2,0,0]=3 2086 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [1,0,0,0,0,0|2,0,0]=3 2087 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [1,0,0,0,0,0|2,0,1]=4 2088 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [1,0,0,0,0,0|2,0,1]=4 2089 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [1,0,0,0,0,0|2,0,1]=4 2090 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [1,0,0,0,0,0|3,0,0]=4 2091 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [1,0,0,0,0,0|3,0,0]=4 2092 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [1,0,0,0,0,0|3,0,0]=4 2093 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [1,0,0,0,0,0|3,0,0]=4 2094 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [1,0,0,0,0,0|3,0,0]=4 2095 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [1,0,0,0,0,0|3,0,0]=4 2096 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [1,0,0,0,0,0|3,0,0]=4 2097 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [1,0,0,0,0,0|3,0,0]=4 2098 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [1,0,0,0,0,0|3,0,0]=4 2099 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [1,0,0,0,0,0|2,0,0]=3 2100 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [1,0,0,0,0,0|2,0,0]=3 2101 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [1,0,0,0,0,0|2,0,0]=3 2102 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [1,0,0,0,0,0|2,0,0]=3 2103 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [1,0,0,0,0,0|2,0,1]=4 2104 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [1,0,0,0,0,0|2,0,1]=4 2105 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [1,0,0,0,0,0|3,0,0]=4 2106 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [1,0,0,0,0,0|3,0,0]=4 2107 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [1,0,0,0,0,0|3,0,0]=4 2108 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [1,0,0,0,0,0|3,0,0]=4 2109 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [1,0,0,0,0,0|3,0,0]=4 2110 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [1,0,0,0,0,0|3,0,0]=4 2111 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [1,0,0,0,0,0|3,0,0]=4 2112 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [1,0,0,0,0,0|3,0,0]=4 2113 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [1,0,0,0,0,0|2,0,1]=4 2114 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [1,0,0,0,0,0|2,0,0]=3 2115 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [1,0,0,0,0,0|3,0,0]=4 2116 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [1,0,0,0,0,0|3,0,0]=4 2117 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [1,0,0,0,0,0|3,0,0]=4 2118 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [1,0,0,0,0,0|2,0,0]=3 2119 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [1,0,0,0,0,0|2,0,1]=4 2120 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [1,0,0,0,0,0|2,0,1]=4 2121 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [1,0,0,0,0,0|2,0,0]=3 2122 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [1,0,0,0,0,0|2,0,0]=3 2123 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [1,0,0,0,0,0|2,0,0]=3 2124 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [1,0,0,0,0,0|2,0,0]=3 2125 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [1,0,0,0,0,0|2,0,1]=4 2126 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [1,0,0,0,0,0|2,0,1]=4 2127 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [1,0,0,0,0,0|3,0,0]=4 2128 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [1,0,0,0,0,0|3,0,0]=4 2129 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [1,0,0,0,0,0|3,0,0]=4 2130 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [1,0,0,0,0,0|3,0,0]=4 2131 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [1,0,0,0,0,0|3,0,0]=4 2132 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [1,0,0,0,0,0|3,0,0]=4 2133 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [1,0,0,0,0,0|3,0,0]=4 2134 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [1,0,0,0,0,0|2,0,1]=4 2135 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [1,0,0,0,0,0|2,0,1]=4 2136 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [1,0,0,0,0,0|2,0,0]=3 2137 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [1,0,0,0,0,0|2,0,0]=3 2138 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [1,0,0,0,0,0|3,0,0]=4 2139 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [1,0,0,0,0,0|3,0,0]=4 2140 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [1,0,0,0,0,0|3,0,0]=4 2141 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [1,0,0,0,0,0|3,0,0]=4 2142 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [1,0,0,0,0,0|3,0,0]=4 2143 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [1,0,0,0,0,0|3,0,0]=4 2144 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [1,0,0,0,0,0|2,0,1]=4 2145 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [1,0,0,0,0,0|2,0,0]=3 2146 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [1,0,0,0,0,0|3,0,0]=4 2147 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [1,0,0,0,0,0|3,0,0]=4 2148 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [1,0,0,0,0,0|3,0,0]=4 2149 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [1,0,0,0,0,0|2,0,1]=4 2150 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [1,0,0,0,0,0|2,0,1]=4 2151 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [1,0,0,0,0,0|2,0,0]=3 2152 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [1,0,0,0,0,0|2,0,0]=3 2153 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [1,0,0,0,0,0|2,0,0]=3 2154 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [1,0,0,0,0,0|2,0,0]=3 2155 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [1,0,0,0,0,0|1,0,1]=3 2156 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [1,0,0,0,0,0|3,0,0]=4 2157 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [1,0,0,0,0,0|3,0,0]=4 2158 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [1,0,0,0,0,0|3,0,0]=4 2159 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [1,0,0,0,0,0|3,0,0]=4 2160 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [1,0,0,0,0,0|3,0,0]=4 2161 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [1,0,0,0,0,0|3,0,0]=4 2162 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [1,0,0,0,0,0|3,0,0]=4 2163 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [1,0,0,0,0,0|3,0,0]=4 2164 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [1,0,0,0,0,0|3,0,0]=4 2165 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [1,0,0,0,0,0|2,0,1]=4 2166 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [1,0,0,0,0,0|2,0,1]=4 2167 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [1,0,0,0,0,0|2,0,0]=3 2168 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [1,0,0,0,0,0|2,0,0]=3 2169 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [1,0,0,0,0,0|3,0,0]=4 2170 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [1,0,0,0,0,0|3,0,0]=4 2171 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [1,0,0,0,0,0|3,0,0]=4 2172 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [1,0,0,0,0,0|3,0,0]=4 2173 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [1,0,0,0,0,0|2,0,1]=4 2174 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [1,0,0,0,0,0|3,0,0]=4 2175 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [1,0,0,0,0,0|3,0,0]=4 2176 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [1,0,0,0,0,0|3,0,0]=4 2177 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [1,0,0,0,0,0|3,0,0]=4 2178 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [1,0,0,0,0,0|3,0,0]=4 2179 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [1,0,0,0,0,0|2,0,1]=4 2180 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [1,0,0,0,0,0|2,0,1]=4 2181 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [1,0,0,0,0,0|3,0,0]=4 2182 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [1,0,0,0,0,0|3,0,0]=4 2183 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [1,0,0,0,0,0|3,0,0]=4 2184 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [1,0,0,0,0,0|3,0,0]=4 2185 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [1,0,0,0,0,0|3,0,0]=4 2186 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [1,0,0,0,0,0|3,0,0]=4 2187 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [1,0,0,0,0,0|2,0,1]=4 2188 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [1,0,0,0,0,0|2,0,1]=4 2189 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [1,0,0,0,0,0|3,0,0]=4 2190 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [1,0,0,0,0,0|3,0,0]=4 2191 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [1,0,0,0,0,0|3,0,0]=4 2192 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [1,0,0,0,0,0|3,0,0]=4 2193 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [1,0,0,0,0,0|3,0,0]=4 2194 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [1,0,0,0,0,0|3,0,0]=4 2195 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [1,0,0,0,0,0|3,0,0]=4 2196 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [1,0,0,0,0,0|3,0,0]=4 2197 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [1,0,0,0,0,0|3,0,0]=4 2198 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [1,0,0,0,0,0|3,0,0]=4 2199 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [1,0,0,0,0,0|3,0,0]=4 2200 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [1,0,0,0,0,0|3,0,0]=4 2201 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [1,0,0,0,0,0|3,0,0]=4 2202 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [1,0,0,0,0,0|3,0,0]=4 2203 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [1,0,0,0,0,0|3,0,0]=4 2204 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [1,0,0,0,0,0|3,0,0]=4 2205 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [1,0,0,0,0,0|3,0,0]=4 2206 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [1,0,0,0,0,0|3,0,0]=4 2207 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [1,0,0,0,0,0|3,0,0]=4 2208 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [1,0,0,0,0,0|3,0,0]=4 2209 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [1,0,0,0,0,0|3,0,0]=4 2210 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [1,0,0,0,0,0|3,0,0]=4 2211 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [1,0,0,0,0,0|3,0,0]=4 2212 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [1,0,0,0,0,0|3,0,0]=4 2213 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [1,0,0,0,0,0|3,0,0]=4 2214 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [1,0,0,0,0,0|3,0,0]=4 2215 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [1,0,0,0,0,0|3,0,0]=4 2216 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [1,0,0,0,0,0|3,0,0]=4 2217 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [1,0,0,0,0,0|3,0,0]=4 2218 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [1,0,0,0,0,0|3,0,0]=4 2219 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [1,0,0,0,0,0|3,0,0]=4 2220 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [1,0,0,0,0,0|3,0,0]=4 2221 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [1,0,0,0,0,0|3,0,0]=4 2222 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [1,0,0,0,0,0|3,0,0]=4 2223 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [1,0,0,0,0,0|3,0,0]=4 2224 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [1,0,0,0,0,0|2,0,1]=4 2225 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [1,0,0,0,0,0|3,0,0]=4 2226 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [1,0,0,0,0,0|3,0,0]=4 2227 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [1,0,0,0,0,0|3,0,0]=4 2228 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [1,0,0,0,0,0|3,0,0]=4 2229 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [1,0,0,0,0,0|3,0,0]=4 2230 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [1,0,0,0,0,0|3,0,0]=4 2231 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [1,0,0,0,0,0|3,0,0]=4 2232 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [1,0,0,0,0,0|3,0,0]=4 2233 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [1,0,0,0,0,0|3,0,0]=4 2234 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [1,0,0,0,0,0|3,0,0]=4 2235 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [1,0,0,0,0,0|3,0,0]=4 2236 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [1,0,0,0,0,0|2,0,1]=4 2237 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [1,0,0,0,0,0|3,0,0]=4 2238 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [1,0,0,0,0,0|3,0,0]=4 2239 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [1,0,0,0,0,0|3,0,0]=4 2240 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [1,0,0,0,0,0|3,0,0]=4 2241 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [1,0,0,0,0,0|2,0,0]=3 2242 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [1,0,0,0,0,0|2,0,0]=3 2243 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [1,0,0,0,0,0|2,0,0]=3 2244 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [1,0,0,0,0,0|3,0,0]=4 2245 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [1,0,0,0,0,0|2,0,0]=3 2246 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [1,0,0,0,0,0|3,0,0]=4 2247 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [1,0,0,0,0,0|3,0,0]=4 2248 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [1,0,0,0,0,0|3,0,0]=4 2249 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [1,0,0,0,0,0|3,0,0]=4 2250 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [1,0,0,0,0,0|3,0,0]=4 2251 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [1,0,0,0,0,0|3,0,0]=4 2252 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [1,0,0,0,0,0|3,0,0]=4 2253 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [1,0,0,0,0,0|3,0,0]=4 2254 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [1,0,0,0,0,0|3,0,0]=4 2255 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [1,0,0,0,0,0|3,0,0]=4 2256 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [1,0,0,0,0,0|3,0,0]=4 2257 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [1,0,0,0,0,0|3,0,0]=4 2258 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [1,0,0,0,0,0|3,0,0]=4 2259 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [1,0,0,0,0,0|3,0,0]=4 2260 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [1,0,0,0,0,0|3,0,0]=4 2261 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [1,0,0,0,0,0|2,0,1]=4 2262 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [1,0,0,0,0,0|3,0,0]=4 2263 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [1,0,0,0,0,0|3,0,0]=4 2264 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [1,0,0,0,0,0|2,0,0]=3 2265 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [1,0,0,0,0,0|2,0,0]=3 2266 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [1,0,0,0,0,0|3,0,0]=4 2267 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [1,0,0,0,0,0|3,0,0]=4 2268 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [1,0,0,0,0,0|3,0,0]=4 2269 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [1,0,0,0,0,0|3,0,0]=4 2270 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [1,0,0,0,0,0|3,0,0]=4 2271 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [1,0,0,0,0,0|3,0,0]=4 2272 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [1,0,0,0,0,0|3,0,0]=4 2273 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [1,0,0,0,0,0|3,0,0]=4 2274 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [1,0,0,0,0,0|3,0,0]=4 2275 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [1,0,0,0,0,0|3,0,0]=4 2276 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [1,0,0,0,0,0|3,0,0]=4 2277 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [1,0,0,0,0,0|3,0,0]=4 2278 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [1,0,0,0,0,0|3,0,0]=4 2279 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [1,0,0,0,0,0|3,0,0]=4 2280 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [1,0,0,0,0,0|3,0,0]=4 2281 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [1,0,0,0,0,0|3,0,0]=4 2282 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [1,0,0,0,0,0|3,0,0]=4 2283 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [1,0,0,0,0,0|3,0,0]=4 2284 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [1,0,0,0,0,0|3,0,0]=4 2285 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [1,0,0,0,0,0|3,0,0]=4 2286 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [1,0,0,0,0,0|3,0,0]=4 2287 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [1,0,0,0,0,0|3,0,0]=4 2288 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [1,0,0,0,0,0|3,0,0]=4 2289 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [1,0,0,0,0,0|3,0,0]=4 2290 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [1,0,0,0,0,0|3,0,0]=4 2291 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [1,0,0,0,0,0|3,0,0]=4 2292 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [1,0,0,0,0,0|3,0,0]=4 2293 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [1,0,0,0,0,0|3,0,0]=4 2294 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [1,0,0,0,0,0|3,0,0]=4 2295 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [1,0,0,0,0,0|3,0,0]=4 2296 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [1,0,0,0,0,0|3,0,0]=4 2297 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [1,0,0,0,0,0|3,0,0]=4 2298 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [1,0,0,0,0,0|3,0,0]=4 2299 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [1,0,0,0,0,0|3,0,0]=4 2300 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [1,0,0,0,0,0|3,0,0]=4 2301 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [1,0,0,0,0,0|3,0,0]=4 2302 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [1,0,0,0,0,0|3,0,0]=4 2303 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [1,0,0,0,0,0|3,0,0]=4 2304 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [1,0,0,0,0,0|3,0,0]=4 2305 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [1,0,0,0,0,0|3,0,0]=4 2306 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [1,0,0,0,0,0|3,0,0]=4 2307 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [1,0,0,0,0,0|3,0,0]=4 2308 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [1,0,0,0,0,0|3,0,0]=4 2309 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [1,0,0,0,0,0|3,0,0]=4 2310 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [1,0,0,0,0,0|3,0,0]=4 2311 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [1,0,0,0,0,0|3,0,0]=4 2312 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [1,0,0,0,0,0|3,0,0]=4 2313 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [1,0,0,0,0,0|3,0,0]=4 2314 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [1,0,0,0,0,0|3,0,0]=4 2315 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [1,0,0,0,0,0|3,0,0]=4 2316 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [1,0,0,0,0,0|2,0,1]=4 2317 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [1,0,0,0,0,0|3,0,0]=4 2318 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [1,0,0,0,0,0|3,0,0]=4 2319 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [1,0,0,0,0,0|3,0,0]=4 2320 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [1,0,0,0,0,0|2,0,0]=3 2321 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [1,0,0,0,0,0|3,0,0]=4 2322 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [1,0,0,0,0,0|3,0,0]=4 2323 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [1,0,0,0,0,0|3,0,0]=4 2324 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [1,0,0,0,0,0|2,0,1]=4 2325 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [1,0,0,0,0,0|2,0,1]=4 2326 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [1,0,0,0,0,0|2,0,1]=4 2327 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [1,0,0,0,0,0|2,0,1]=4 2328 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [1,0,0,0,0,0|2,0,1]=4 2329 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [1,0,0,0,0,0|2,0,1]=4 2330 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [1,0,0,0,0,0|2,0,1]=4 2331 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [1,0,0,0,0,0|2,0,0]=3 2332 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [1,0,0,0,0,0|2,0,0]=3 2333 B16R0.41 CCCC(C)CCCOCCCCCB(O)O 34a_100011713154_200009817188 [0,1,0,0,0,0|2,0,1]=4 2334 B16R0.41 CCCC(C)CCCOCCCCCB(O)O 7a_100011713154_200009817188 [0,1,0,0,0,0|2,0,1]=4 2335 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [0,1,0,0,0,0|2,0,0]=3 2336 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [0,1,0,0,0,0|2,0,0]=3 2337 B16R0.41 CCCC(C)CCCOCCCCOC(=O)C 34a_100011713154_100000033659 [0,1,0,0,0,0|3,0,0]=4 2338 B16R0.41 CCCC(C)CCCOCCCCOC(=O)C 7a_100011713154_100000033659 [0,1,0,0,0,0|3,0,0]=4 2339 B16R0.41 CCCC(C)CCCOCCCCSC(=O)C 34a_100011713154_200010402107 [0,1,0,0,0,0|3,0,0]=4 2340 B16R0.41 CCCC(C)CCCOCCCCSC(=O)C 7a_100011713154_200010402107 [0,1,0,0,0,0|3,0,0]=4 2341 B16R0.41 CCCC(C)CCOCCCCCCB(O)O 34a_100011217855_100009817187 [0,1,0,0,0,0|2,0,1]=4 2342 B16R0.41 CCCC(C)CCOCCCCCCB(O)O 7a_100011217855_100009817187 [0,1,0,0,0,0|2,0,1]=4 2343 B16R0.41 CCCC(C)CCOCCCCCOC(=O)C 34a_100011217855_100000033007 [0,1,0,0,0,0|3,0,0]=4 2344 B16R0.41 CCCC(C)CCOCCCCCOC(=O)C 7a_100011217855_100000033007 [0,1,0,0,0,0|3,0,0]=4 2345 B16R0.41 CCCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100011216630 [0,1,0,0,0,0|3,0,0]=4 2346 B16R0.41 CCCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243154 [0,1,0,0,0,0|3,0,0]=4 2347 B16R0.41 CCCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100011216630 [0,1,0,0,0,0|3,0,0]=4 2348 B16R0.41 CCCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243154 [0,1,0,0,0,0|3,0,0]=4 2349 B16R0.41 CCCC(C)CNCCOCCOCC(=O)O 269956a_100009854275_100011216630 [0,1,0,0,0,0|3,0,0]=4 2350 B16R0.41 CCC[C@H](N)CCOCCCCCCB(O)O 34a_100015193777_100009817187 [0,1,0,0,0,0|2,0,1]=4 2351 B16R0.41 CCC[C@H](N)CCOCCCCCOC(=O)C 34a_100015193777_100000033007 [0,1,0,0,0,0|3,0,0]=4 2352 B16R0.41 CCOC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009828014 [0,1,0,0,0,0|2,0,1]=4 2353 B16R0.41 CCOC(=O)CCCCCCCNCC(=O)O 269956a_100016091260_100009991516 [0,1,0,0,0,0|2,0,1]=4 2354 B16R0.114 CCCCCCCC(=O)CCCCCB(O)O 1458a_100000211969_200009817188 [0,1,0,0,0,0|1,0,2]=4 2355 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [0,1,0,0,0,0|1,0,1]=3 2356 B16R0.114 CCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210614 [0,1,0,0,0,0|1,0,2]=4 2357 B16R0.114 CCCCCCCC(=O)CCCCOC(=O)C 1458a_100000211969_100000033659 [0,1,0,0,0,0|2,0,1]=4 2358 B16R0.114 CCCCCCCC(=O)CCCCSC(=O)C 1458a_100000211969_200010402107 [0,1,0,0,0,0|2,0,1]=4 2359 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211969 [0,1,0,0,0,0|2,0,1]=4 2360 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211969 [0,1,0,0,0,0|2,0,1]=4 2361 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211969 [0,1,0,0,0,0|2,0,1]=4 2362 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211969 [0,1,0,0,0,0|2,0,1]=4 2363 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [0,1,0,0,0,0|2,0,0]=3 2364 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [0,1,0,0,0,0|2,0,0]=3 2365 B16R0.114 CCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210596 [0,1,0,0,0,0|3,0,0]=4 2366 B16R0.114 CCCCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218727 [0,1,0,0,0,0|3,0,0]=4 2367 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [0,1,0,0,0,0|2,0,0]=3 2368 B16R0.114 CCCCCCCC(C)OCCCCB(O)O 34a_200011215852_200009817182 [0,1,0,0,0,0|2,0,1]=4 2369 B16R0.114 CCCCCCCC(C)OCCCCB(O)O 7a_200011215852_200009817182 [0,1,0,0,0,0|2,0,1]=4 2370 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [0,1,0,0,0,0|2,0,0]=3 2371 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [0,1,0,0,0,0|2,0,0]=3 2372 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [0,1,0,0,0,0|2,0,0]=3 2373 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [0,1,0,0,0,0|2,0,0]=3 2374 B16R0.114 CCCCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011218727 [0,1,0,0,0,0|2,0,1]=4 2375 B16R0.114 CCCCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011218727 [0,1,0,0,0,0|2,0,1]=4 2376 B16R0.114 CCCCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218727 [0,1,0,0,0,0|3,0,0]=4 2377 B16R0.114 CCCCCCCC(C)OCCCOC(=O)C 34a_200011215852_100000042594 [0,1,0,0,0,0|3,0,0]=4 2378 B16R0.114 CCCCCCCC(C)OCCCOC(=O)C 7a_200011215852_100000042594 [0,1,0,0,0,0|3,0,0]=4 2379 B16R0.114 CCCCCCCC(C)OCCCSC(=O)C 34a_200011215852_100000038929 [0,1,0,0,0,0|3,0,0]=4 2380 B16R0.114 CCCCCCCC(C)OCCCSC(=O)C 7a_200011215852_100000038929 [0,1,0,0,0,0|3,0,0]=4 2381 B16R0.114 CCCCCCCC(C)OCCOCC(=O)N 34a_200011215852_100000076697 [0,1,0,0,0,0|3,0,0]=4 2382 B16R0.114 CCCCCCCC(C)OCCOCC(=O)N 7a_200011215852_100000076697 [0,1,0,0,0,0|3,0,0]=4 2383 B16R0.114 CCCCCCCC(C)SCCCCB(O)O 62a_200009817182_200011218727 [0,1,0,0,0,0|2,0,1]=4 2384 B16R0.114 CCCCCCCC(C)SCCCCB(O)O 62a_200011218727_200009817182 [0,1,0,0,0,0|2,0,1]=4 2385 B16R0.114 CCCCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218727 [0,1,0,0,0,0|3,0,0]=4 2386 B16R0.114 CCCCCCCC(C)SCCCOC(=O)C 62a_200011218727_100000042594 [0,1,0,0,0,0|3,0,0]=4 2387 B16R0.114 CCCCCCCC(C)SCCOCC(=O)N 62a_100000076697_200011218727 [0,1,0,0,0,0|3,0,0]=4 2388 B16R0.114 CCCCCCCC(C)SCCOCC(=O)N 62a_200011218727_100000076697 [0,1,0,0,0,0|3,0,0]=4 2389 B16R0.114 CCCCCCCN(C)CCCCCB(O)O 2230a_100000228206_200009817188 [0,1,0,0,0,0|2,0,1]=4 2390 B16R0.114 CCCCCCCN(C)CCCCCB(O)O 269982a_100000228206_200009817188 [0,1,0,0,0,0|2,0,1]=4 2391 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [0,1,0,0,0,0|2,0,0]=3 2392 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [0,1,0,0,0,0|2,0,0]=3 2393 B16R0.114 CCCCCCCN(C)CCCCOC(=O)C 269982a_100000228206_100000033659 [0,1,0,0,0,0|3,0,0]=4 2394 B16R0.114 CCCCCCCN(C)CCCCSC(=O)C 2230a_100000228206_200010402107 [0,1,0,0,0,0|3,0,0]=4 2395 B16R0.114 CCCCCCCN(C)CCCCSC(=O)C 269982a_100000228206_200010402107 [0,1,0,0,0,0|3,0,0]=4 2396 B16R0.114 COCCCCCC(=O)CCCCCC(=O)N 1458a_100011935119_100009817443 [0,1,0,0,0,0|2,0,1]=4 2397 B16R0.114 NC(=O)CCCCCC(=O)CCCCCCO 1458a_100011996774_100009817443 [0,1,0,0,0,0|2,0,1]=4 2398 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [0,1,0,0,0,0|2,0,0]=3 2399 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [0,1,0,0,0,0|2,0,0]=3 2400 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [0,1,0,0,0,0|2,0,0]=3 2401 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [0,1,0,0,0,0|2,0,0]=3 2402 B16R0.131 CCCCC(C)CCCCOCCCC(C)O 34a_200011021034_200000718107 [0,1,0,0,0,0|2,0,1]=4 2403 B16R0.131 CCCCC(C)CCCCOCCCC(C)O 7a_200011021034_200000718107 [0,1,0,0,0,0|2,0,1]=4 2404 B16R0.131 CCCCC(C)CCCCOCCNC(=O)C 7a_200011021034_100000189650 [0,1,0,0,0,0|3,0,0]=4 2405 B16R0.131 CCCCC(C)CCCCOCCNC(=O)N 7a_200011021034_200000034859 [0,1,0,0,0,0|3,0,0]=4 2406 B16R0.131 CCCCC(C)CCCCOCCOC(=O)C 34a_200011021034_100009814007 [0,1,0,0,0,0|3,0,0]=4 2407 B16R0.131 CCCCC(C)CCCCOCCOC(=O)C 7a_200011021034_100009814007 [0,1,0,0,0,0|3,0,0]=4 2408 B16R0.131 CCCCC(C)CCCCOCCOC(=O)N 34a_200011021034_200011214921 [0,1,0,0,0,0|3,0,0]=4 2409 B16R0.131 CCCCC(C)CCCCOCCOC(=O)N 7a_200011021034_200011214921 [0,1,0,0,0,0|3,0,0]=4 2410 B16R0.131 CCCCC(C)COCCCCCCB(O)O 34a_100011995851_100009817187 [0,1,0,0,0,0|2,0,1]=4 2411 B16R0.131 CCCCC(C)COCCCCCCB(O)O 7a_100011995851_100009817187 [0,1,0,0,0,0|2,0,1]=4 2412 B16R0.131 CCCCC(C)COCCCCCOC(=O)C 34a_100011995851_100000033007 [0,1,0,0,0,0|3,0,0]=4 2413 B16R0.131 CCCCC(C)COCCCCCOC(=O)C 7a_100011995851_100000033007 [0,1,0,0,0,0|3,0,0]=4 2414 B16R0.131 CCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_200011215066 [0,1,0,0,0,0|3,0,0]=4 2415 B16R0.131 CCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000210087 [0,1,0,0,0,0|3,0,0]=4 2416 B16R0.131 CCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_200011215066 [0,1,0,0,0,0|3,0,0]=4 2417 B16R0.131 CCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000210087 [0,1,0,0,0,0|3,0,0]=4 2418 B16R0.131 CCCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_200011215066 [0,1,0,0,0,0|3,0,0]=4 2419 B16R0.131 CCCC[C@H](N)COCCCCCCB(O)O 34a_100011934283_100009817187 [0,1,0,0,0,0|2,0,1]=4 2420 B16R0.131 CCCC[C@H](N)COCCCCCOC(=O)C 34a_100011934283_100000033007 [0,1,0,0,0,0|3,0,0]=4 2421 B16R0.165 CCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210414_200010167045 [0,1,0,0,0,0|1,0,1]=3 2422 B16R0.165 CCC(C)CCCCCOCCCCB(O)O 7a_200000035636_200009817182 [0,1,0,0,0,0|2,0,1]=4 2423 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [0,1,0,0,0,0|2,0,0]=3 2424 B16R0.165 CCC(C)CCCCCOCCCOC(=O)C 7a_200000035636_100000042594 [0,1,0,0,0,0|3,0,0]=4 2425 B16R0.165 CCC(C)CCCCCOCCCSC(=O)C 7a_200000035636_100000038929 [0,1,0,0,0,0|3,0,0]=4 2426 B16R0.165 CCC(C)CCCCCOCCOCC(=O)N 7a_200000035636_100000076697 [0,1,0,0,0,0|3,0,0]=4 2427 B16R0.165 CCC(C)CCCOCCCCCCB(O)O 7a_100011216074_100009817187 [0,1,0,0,0,0|2,0,1]=4 2428 B16R0.165 CCC(C)CCCOCCCCCOC(=O)C 7a_100011216074_100000033007 [0,1,0,0,0,0|3,0,0]=4 2429 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 2230a_100000225621_200010167045 [0,1,0,0,0,0|2,0,0]=3 2430 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 269982a_100000225621_200010167045 [0,1,0,0,0,0|2,0,0]=3 2431 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009812566 [0,1,0,0,0,0|2,0,1]=4 2432 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100016987261_200000210301 [0,1,0,0,0,0|2,0,1]=4 2433 B16R0.165 COC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_100016987261_200025704644 [0,1,0,0,0,0|2,0,1]=4 2434 B16R0.165 COC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010282707 [0,1,0,0,0,0|2,0,1]=4 2435 B16R0.165 NC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_200010167045 [0,1,0,0,0,0|2,0,1]=4 2436 B16R0.177 CCCCCCC(=O)CCCCCCB(O)O 1458a_100102632555_100009817187 [0,1,0,0,0,0|1,0,2]=4 2437 B16R0.177 CCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210757 [0,1,0,0,0,0|2,0,1]=4 2438 B16R0.177 CCCCCCC(=O)CCCCCOC(=O)C 1458a_100102632555_100000033007 [0,1,0,0,0,0|2,0,1]=4 2439 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [0,1,0,0,0,0|2,0,0]=3 2440 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [0,1,0,0,0,0|2,0,0]=3 2441 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [0,1,0,0,0,0|2,0,0]=3 2442 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [0,1,0,0,0,0|2,0,0]=3 2443 B16R0.177 CCCCCCC(C)CCOCCCC(C)O 34a_200011024964_200000718107 [0,1,0,0,0,0|2,0,1]=4 2444 B16R0.177 CCCCCCC(C)CCOCCCC(C)O 7a_200011024964_200000718107 [0,1,0,0,0,0|2,0,1]=4 2445 B16R0.177 CCCCCCC(C)CCOCCNC(=O)C 7a_200011024964_100000189650 [0,1,0,0,0,0|3,0,0]=4 2446 B16R0.177 CCCCCCC(C)CCOCCNC(=O)N 7a_200011024964_200000034859 [0,1,0,0,0,0|3,0,0]=4 2447 B16R0.177 CCCCCCC(C)CCOCCOC(=O)C 34a_200011024964_100009814007 [0,1,0,0,0,0|3,0,0]=4 2448 B16R0.177 CCCCCCC(C)CCOCCOC(=O)C 7a_200011024964_100009814007 [0,1,0,0,0,0|3,0,0]=4 2449 B16R0.177 CCCCCCC(C)CCOCCOC(=O)N 34a_200011024964_200011214921 [0,1,0,0,0,0|3,0,0]=4 2450 B16R0.177 CCCCCCC(C)CCOCCOC(=O)N 7a_200011024964_200011214921 [0,1,0,0,0,0|3,0,0]=4 2451 B16R0.177 CCCCCCC(C)NCCCCCB(O)O 2230a_100000210919_200009817188 [0,1,0,0,0,0|2,0,1]=4 2452 B16R0.177 CCCCCCC(C)NCCCCCB(O)O 34a_100000210919_200009817188 [0,1,0,0,0,0|2,0,1]=4 2453 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [0,1,0,0,0,0|2,0,0]=3 2454 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [0,1,0,0,0,0|2,0,0]=3 2455 B16R0.177 CCCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_100011215978 [0,1,0,0,0,0|3,0,0]=4 2456 B16R0.177 CCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210826 [0,1,0,0,0,0|3,0,0]=4 2457 B16R0.177 CCCCCCC(C)NCCCCNC(=O)C 34a_200011368371_100011215978 [0,1,0,0,0,0|3,0,0]=4 2458 B16R0.177 CCCCCCC(C)NCCCCOC(=O)C 34a_100000210919_100000033659 [0,1,0,0,0,0|3,0,0]=4 2459 B16R0.177 CCCCCCC(C)NCCCCSC(=O)C 2230a_100000210919_200010402107 [0,1,0,0,0,0|3,0,0]=4 2460 B16R0.177 CCCCCCC(C)NCCCCSC(=O)C 34a_100000210919_200010402107 [0,1,0,0,0,0|3,0,0]=4 2461 B16R0.177 CCCCCCC(C)OCCCCCB(O)O 34a_100000210265_200009817188 [0,1,0,0,0,0|2,0,1]=4 2462 B16R0.177 CCCCCCC(C)OCCCCCB(O)O 7a_100000210265_200009817188 [0,1,0,0,0,0|2,0,1]=4 2463 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [0,1,0,0,0,0|2,0,0]=3 2464 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [0,1,0,0,0,0|2,0,0]=3 2465 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [0,1,0,0,0,0|2,0,0]=3 2466 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [0,1,0,0,0,0|2,0,0]=3 2467 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [0,1,0,0,0,0|1,0,1]=3 2468 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 34a_100000073216_100011215978 [0,1,0,0,0,0|3,0,0]=4 2469 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 34a_100000210265_100000033659 [0,1,0,0,0,0|3,0,0]=4 2470 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 7a_100000073216_100011215978 [0,1,0,0,0,0|3,0,0]=4 2471 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 7a_100000210265_100000033659 [0,1,0,0,0,0|3,0,0]=4 2472 B16R0.177 CCCCCCC(C)OCCCCSC(=O)C 34a_100000210265_200010402107 [0,1,0,0,0,0|3,0,0]=4 2473 B16R0.177 CCCCCCC(C)OCCCCSC(=O)C 7a_100000210265_200010402107 [0,1,0,0,0,0|3,0,0]=4 2474 B16R0.177 CCCCCCC(C)SCCCCCB(O)O 62a_100011215978_200009817188 [0,1,0,0,0,0|2,0,1]=4 2475 B16R0.177 CCCCCCC(C)SCCCCCB(O)O 62a_200009817188_100011215978 [0,1,0,0,0,0|2,0,1]=4 2476 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [0,1,0,0,0,0|2,0,0]=3 2477 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [0,1,0,0,0,0|2,0,0]=3 2478 B16R0.177 CCCCCCC(C)SCCCCOC(=O)C 62a_100000033659_100011215978 [0,1,0,0,0,0|3,0,0]=4 2479 B16R0.177 CCCCCCC(C)SCCCCOC(=O)C 62a_100011215978_100000033659 [0,1,0,0,0,0|3,0,0]=4 2480 B16R0.177 CCCCCCN(C)CCCCCCB(O)O 2230a_106256046315_100009817187 [0,1,0,0,0,0|2,0,1]=4 2481 B16R0.177 CCCCCCN(C)CCCCCCB(O)O 269982a_106256046315_100009817187 [0,1,0,0,0,0|2,0,1]=4 2482 B16R0.177 CCCCCCN(C)CCCCCOC(=O)C 2230a_106256046315_100009813381 [0,1,0,0,0,0|3,0,0]=4 2483 B16R0.177 CCCCCCN(C)CCCCCOC(=O)C 269982a_106256046315_100000033007 [0,1,0,0,0,0|3,0,0]=4 2484 B16R0.177 CCCCOCC(C)OCCCCCC(=O)N 34a_100011217071_100009817443 [0,1,0,0,0,0|3,0,0]=4 2485 B16R0.177 CCCCOCC(C)OCCCCCC(=O)N 7a_100011217071_100009817443 [0,1,0,0,0,0|3,0,0]=4 2486 B16R0.221 C#CC(=O)CCCCCCCCCCCC=C 1458a_100000211873_102130925996 [0,1,0,0,0,0|1,0,2]=4 2487 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [0,1,0,0,0,0|1,0,0]=2 2488 B16R0.221 C#CC(=O)CCCCCCCCCCCCO 1458a_100000211873_100009813331 [0,1,0,0,0,0|2,0,0]=3 2489 B16R0.221 C#CC(=O)CCCCCCOCCCCCO 1458a_100000211873_200132310570 [0,1,0,0,0,0|3,0,0]=4 2490 B16R0.221 C#CC(O)CCCCCNCCCCCCC 2230a_100000229938_200010408556 [0,1,0,0,0,0|2,0,1]=4 2491 B16R0.221 C#CC(O)CCCCCOCCCCCCC 34a_100000210272_200010408556 [0,1,0,0,0,0|2,0,1]=4 2492 B16R0.221 C#CC(O)CCCCCOCCCCCCC 7a_100000210272_200010408556 [0,1,0,0,0,0|2,0,1]=4 2493 B16R0.221 C#CC(O)CCCCCSCCCCCCC 62a_100000210614_200010408556 [0,1,0,0,0,0|2,0,1]=4 2494 B16R0.221 C#CC(O)CCCCCSCCCCCCC 62a_200010408556_100000210316 [0,1,0,0,0,0|2,0,1]=4 2495 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 34a_100000034437_100000747449 [0,1,0,0,0,0|1,0,2]=4 2496 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 7a_100000034437_100000747449 [0,1,0,0,0,0|1,0,2]=4 2497 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 34a_100000065265_100000742370 [0,1,0,0,0,0|1,0,2]=4 2498 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 7a_100000065265_100000204255 [0,1,0,0,0,0|1,0,2]=4 2499 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 34a_100000054614_100000742333 [0,1,0,0,0,0|1,0,2]=4 2500 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 7a_100000054614_100011218270 [0,1,0,0,0,0|1,0,2]=4 2501 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100011218270_100153394163 [0,1,0,0,0,0|1,0,2]=4 2502 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100153394163_100011218270 [0,1,0,0,0,0|1,0,2]=4 2503 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100000059025_100012276617 [0,1,0,0,0,0|1,0,2]=4 2504 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100011217361_100000204269 [0,1,0,0,0,0|1,0,2]=4 2505 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100000059025_100012276617 [0,1,0,0,0,0|1,0,2]=4 2506 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100011217361_100000204269 [0,1,0,0,0,0|1,0,2]=4 2507 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100000204269_100012276617 [0,1,0,0,0,0|1,0,2]=4 2508 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100012276617_100000204269 [0,1,0,0,0,0|1,0,2]=4 2509 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000074720_100012094781 [0,1,0,0,0,0|1,0,2]=4 2510 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000766912_100009816466 [0,1,0,0,0,0|1,0,2]=4 2511 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000074720_100012094781 [0,1,0,0,0,0|1,0,2]=4 2512 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000766912_100009816466 [0,1,0,0,0,0|1,0,2]=4 2513 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100009816466_100012094781 [0,1,0,0,0,0|1,0,2]=4 2514 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100012094781_100009816466 [0,1,0,0,0,0|1,0,2]=4 2515 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 2230a_100000706060_100009815986 [0,1,0,0,0,0|1,0,2]=4 2516 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 34a_100000706060_100009815986 [0,1,0,0,0,0|1,0,2]=4 2517 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100000766709_100009815986 [0,1,0,0,0,0|1,0,2]=4 2518 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100009863599_100010269958 [0,1,0,0,0,0|1,0,2]=4 2519 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100000766709_100009815986 [0,1,0,0,0,0|1,0,2]=4 2520 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100009863599_100010269958 [0,1,0,0,0,0|1,0,2]=4 2521 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100009815986_100010269958 [0,1,0,0,0,0|1,0,2]=4 2522 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100010269958_100009815986 [0,1,0,0,0,0|1,0,2]=4 2523 B16R0.221 C#CCCCNCCCCCCCC(=O)OC 34a_100000718082_100010004213 [0,1,0,0,0,0|1,0,2]=4 2524 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100000215630_100010004213 [0,1,0,0,0,0|1,0,2]=4 2525 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000695029 [0,1,0,0,0,0|1,0,2]=4 2526 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100000215630_100010004213 [0,1,0,0,0,0|1,0,2]=4 2527 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100011022521_100011215417 [0,1,0,0,0,0|1,0,2]=4 2528 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100010004213_100011215417 [0,1,0,0,0,0|1,0,2]=4 2529 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100011215417_100010004213 [0,1,0,0,0,0|1,0,2]=4 2530 B16R0.221 C#CCCNCCCCCCCCC(=O)OC 34a_100000755551_100010282707 [0,1,0,0,0,0|1,0,2]=4 2531 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000688953 [0,1,0,0,0,0|1,0,2]=4 2532 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100011215631_100010282707 [0,1,0,0,0,0|1,0,2]=4 2533 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000688953 [0,1,0,0,0,0|1,0,2]=4 2534 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100000688953_100010282707 [0,1,0,0,0,0|1,0,2]=4 2535 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000688953 [0,1,0,0,0,0|1,0,2]=4 2536 B16R0.221 C#CCNCCCCCCCCCC(=O)OC 34a_100000212058_100009813843 [0,1,0,0,0,0|1,0,2]=4 2537 B16R0.221 C#CCOCCCCCCCCCC(=O)OC 34a_100000210247_100009813843 [0,1,0,0,0,0|1,0,2]=4 2538 B16R0.221 C#CCSCCCCCCCCCC(=O)OC 62a_100000038162_100009813843 [0,1,0,0,0,0|1,0,2]=4 2539 B16R0.221 C/C=C/CCOCCCCCCCC(=O)OC 34a_100016278192_100010004213 [0,1,0,0,0,0|1,0,2]=4 2540 B16R0.221 C/C=C/COCCCCCCCCC(=O)OC 34a_100000035544_100102629194 [0,1,0,0,0,0|1,0,2]=4 2541 B16R0.221 C/C=C/COCCCCCCCCC(=O)OC 34a_100016270725_100010282707 [0,1,0,0,0,0|1,0,2]=4 2542 B16R0.221 C/C=C/COCCCCCCCCC(=O)OC 7a_100000035544_100102629194 [0,1,0,0,0,0|1,0,2]=4 2543 B16R0.221 C/C=C/CSCCCCCCCCC(=O)OC 62a_100010282707_100102629194 [0,1,0,0,0,0|1,0,2]=4 2544 B16R0.221 C/C=C/CSCCCCCCCCC(=O)OC 62a_100102629194_100010282707 [0,1,0,0,0,0|1,0,2]=4 2545 B16R0.221 C=C(C#N)CNCCCCCCCCCCC 2230a_200011215754_100000694840 [0,1,0,0,0,0|3,0,0]=4 2546 B16R0.221 C=C(C#N)CNCCCCCCCCCCC 34a_200011215754_100000694840 [0,1,0,0,0,0|3,0,0]=4 2547 B16R0.221 C=C(C#N)COCCCCCCCCCCC 34a_100000210809_100000694840 [0,1,0,0,0,0|3,0,0]=4 2548 B16R0.221 C=CC(=O)CCCCCCCCCCCCO 1458a_100000185746_100009813331 [0,1,0,0,0,0|2,0,0]=3 2549 B16R0.221 C=CC(=O)CCCCCCOCCCCCO 1458a_100000185746_200132310570 [0,1,0,0,0,0|3,0,0]=4 2550 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185746 [0,1,0,0,0,0|2,0,0]=3 2551 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_200121576911 [0,1,0,0,0,0|2,0,0]=3 2552 B16R0.221 C=CC(=O)NCCCCOCCCCCCC 34a_100014118770_100000210614 [0,1,0,0,0,0|3,0,0]=4 2553 B16R0.221 C=CC(=O)NCCNCCCCCCCCC 2230a_114873766552_100011214924 [0,1,0,0,0,0|3,0,0]=4 2554 B16R0.221 C=CC(=O)NCCOCCCCCCCCC 34a_100011304386_100011214924 [0,1,0,0,0,0|3,0,0]=4 2555 B16R0.221 C=CC(=O)OCCCCCCNCCCCC 2230a_100000209983_100009894100 [0,1,0,0,0,0|3,0,0]=4 2556 B16R0.221 C=CC(=O)OCCCCCCOCCCCC 34a_100000210253_100009894100 [0,1,0,0,0,0|3,0,0]=4 2557 B16R0.221 C=CC(=O)OCCCCCCOCCCCC 7a_100000210253_100009894100 [0,1,0,0,0,0|3,0,0]=4 2558 B16R0.221 C=CC(=O)OCCCCCCSCCCCC 62a_100000210326_100009894100 [0,1,0,0,0,0|3,0,0]=4 2559 B16R0.221 C=CC(=O)OCCCCCCSCCCCC 62a_100009894100_100000210326 [0,1,0,0,0,0|3,0,0]=4 2560 B16R0.221 C=CC(=O)OCCCCCOCCCCCC 7a_200011023508_100000210314 [0,1,0,0,0,0|3,0,0]=4 2561 B16R0.221 C=CC(=O)OCCNCCCCCCCCC 2230a_100000212291_100009813456 [0,1,0,0,0,0|3,0,0]=4 2562 B16R0.221 C=CC(=O)OCCNCCCCCCCCC 34a_100000212291_100009813456 [0,1,0,0,0,0|3,0,0]=4 2563 B16R0.221 C=CC(=O)OCCOCCCCCCCCC 34a_100000210712_100009813456 [0,1,0,0,0,0|3,0,0]=4 2564 B16R0.221 C=CC(=O)OCCOCCCCCCCCC 7a_100000210712_100009813456 [0,1,0,0,0,0|3,0,0]=4 2565 B16R0.221 C=CC(=O)OCCSCCCCCCCCC 62a_100009813456_100000210670 [0,1,0,0,0,0|3,0,0]=4 2566 B16R0.221 C=CC(O)CNCCCCCCCCCCC 2230a_200011215754_100000730141 [0,1,0,0,0,0|2,0,1]=4 2567 B16R0.221 C=CC(O)CNCCCCCCCCCCC 34a_200011215754_100000730141 [0,1,0,0,0,0|2,0,1]=4 2568 B16R0.221 C=CC(O)COCCCCCCCCCCC 34a_100000210809_100000730141 [0,1,0,0,0,0|2,0,1]=4 2569 B16R0.221 C=CC(O)COCCCCCCCCCCC 7a_100000210809_100000730141 [0,1,0,0,0,0|2,0,1]=4 2570 B16R0.221 C=CC(O)CSCCCCCCCCCCC 62a_100000730141_100011215454 [0,1,0,0,0,0|2,0,1]=4 2571 B16R0.221 C=CCCCCCCCCCCCC(=O)CO 1458a_100000210174_102130925996 [0,1,0,0,0,0|0,0,2]=3 2572 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 2230a_100000081888_100000747449 [0,1,0,0,0,0|1,0,2]=4 2573 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 34a_100000081888_100000747449 [0,1,0,0,0,0|1,0,2]=4 2574 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 34a_100000038209_100000747449 [0,1,0,0,0,0|1,0,2]=4 2575 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 7a_100000038209_100000747449 [0,1,0,0,0,0|1,0,2]=4 2576 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100000747449_100009814027 [0,1,0,0,0,0|1,0,2]=4 2577 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100009814027_100000747449 [0,1,0,0,0,0|1,0,2]=4 2578 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 34a_100011215194_100000742370 [0,1,0,0,0,0|1,0,2]=4 2579 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 7a_100011215194_100000204255 [0,1,0,0,0,0|1,0,2]=4 2580 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100000204255_100011933949 [0,1,0,0,0,0|1,0,2]=4 2581 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100011933949_100000204255 [0,1,0,0,0,0|1,0,2]=4 2582 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 34a_100000730831_100000742333 [0,1,0,0,0,0|1,0,2]=4 2583 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 7a_100000730831_100011218270 [0,1,0,0,0,0|1,0,2]=4 2584 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100011218270_100012355270 [0,1,0,0,0,0|1,0,2]=4 2585 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100012355270_100011218270 [0,1,0,0,0,0|1,0,2]=4 2586 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_100000059025_100011215473 [0,1,0,0,0,0|1,0,2]=4 2587 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_200011216477_100000204269 [0,1,0,0,0,0|1,0,2]=4 2588 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_100000059025_100011215473 [0,1,0,0,0,0|1,0,2]=4 2589 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_200011216477_100000204269 [0,1,0,0,0,0|1,0,2]=4 2590 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100000204269_100011215473 [0,1,0,0,0,0|1,0,2]=4 2591 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100011215473_100000204269 [0,1,0,0,0,0|1,0,2]=4 2592 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000700193 [0,1,0,0,0,0|1,0,2]=4 2593 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100011216702_100009816466 [0,1,0,0,0,0|1,0,2]=4 2594 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000700193 [0,1,0,0,0,0|1,0,2]=4 2595 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100011216702_100009816466 [0,1,0,0,0,0|1,0,2]=4 2596 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100000700193_100009816466 [0,1,0,0,0,0|1,0,2]=4 2597 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000700193 [0,1,0,0,0,0|1,0,2]=4 2598 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 2230a_100000703577_100009815986 [0,1,0,0,0,0|1,0,2]=4 2599 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 34a_100000703577_100009815986 [0,1,0,0,0,0|1,0,2]=4 2600 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100000766645_100009815986 [0,1,0,0,0,0|1,0,2]=4 2601 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100009863599_100011215482 [0,1,0,0,0,0|1,0,2]=4 2602 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100000766645_100009815986 [0,1,0,0,0,0|1,0,2]=4 2603 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100009863599_100011215482 [0,1,0,0,0,0|1,0,2]=4 2604 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100009815986_100011215482 [0,1,0,0,0,0|1,0,2]=4 2605 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100011215482_100009815986 [0,1,0,0,0,0|1,0,2]=4 2606 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 2230a_100000700776_100010004213 [0,1,0,0,0,0|1,0,2]=4 2607 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 34a_100000700776_100010004213 [0,1,0,0,0,0|1,0,2]=4 2608 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100000758997_100010004213 [0,1,0,0,0,0|1,0,2]=4 2609 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000757094 [0,1,0,0,0,0|1,0,2]=4 2610 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100000758997_100010004213 [0,1,0,0,0,0|1,0,2]=4 2611 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000757094 [0,1,0,0,0,0|1,0,2]=4 2612 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000757094 [0,1,0,0,0,0|1,0,2]=4 2613 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100011713584_100010004213 [0,1,0,0,0,0|1,0,2]=4 2614 B16R0.221 C=CCCNCCCCCCCCC(=O)OC 2230a_100015191253_100010282707 [0,1,0,0,0,0|1,0,2]=4 2615 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000754431 [0,1,0,0,0,0|1,0,2]=4 2616 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100011205117_100010282707 [0,1,0,0,0,0|1,0,2]=4 2617 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000754431 [0,1,0,0,0,0|1,0,2]=4 2618 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100000754431_100010282707 [0,1,0,0,0,0|1,0,2]=4 2619 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000754431 [0,1,0,0,0,0|1,0,2]=4 2620 B16R0.221 C=CCNCCCCCCCCCC(=O)OC 2230a_100020586998_100009813843 [0,1,0,0,0,0|1,0,2]=4 2621 B16R0.221 C=CCOCCCCCCCCCC(=O)OC 34a_200000210373_100009813843 [0,1,0,0,0,0|1,0,2]=4 2622 B16R0.221 C=CCSCCCCCCCCCC(=O)OC 62a_100000210623_100009813843 [0,1,0,0,0,0|1,0,2]=4 2623 B16R0.221 CC#CCCOCCCCCCCC(=O)OC 34a_100000750427_100010004213 [0,1,0,0,0,0|1,0,2]=4 2624 B16R0.221 CC#CCNCCCCCCCCC(=O)OC 2230a_100000685387_100010282707 [0,1,0,0,0,0|1,0,2]=4 2625 B16R0.221 CC#CCNCCCCCCCCC(=O)OC 34a_100000685387_100010282707 [0,1,0,0,0,0|1,0,2]=4 2626 B16R0.221 CC#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000748600 [0,1,0,0,0,0|1,0,2]=4 2627 B16R0.221 CC#CCOCCCCCCCCC(=O)OC 34a_100000761923_100010282707 [0,1,0,0,0,0|1,0,2]=4 2628 B16R0.221 CC#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000748600 [0,1,0,0,0,0|1,0,2]=4 2629 B16R0.221 CC#CCSCCCCCCCCC(=O)OC 62a_100000748600_100010282707 [0,1,0,0,0,0|1,0,2]=4 2630 B16R0.221 CC#CCSCCCCCCCCC(=O)OC 62a_100010282707_100000748600 [0,1,0,0,0,0|1,0,2]=4 2631 B16R0.221 CC/C=C/CCCOCCCCCC(=O)OC 34a_100016287902_100009816466 [0,1,0,0,0,0|1,0,2]=4 2632 B16R0.221 CC/C=C/CCCOCCCCCC(=O)OC 7a_100016287902_100009816466 [0,1,0,0,0,0|1,0,2]=4 2633 B16R0.221 CC/C=C\CCCCCOCCCC(=O)OC 34a_100016268722_100000742333 [0,1,0,0,0,0|1,0,2]=4 2634 B16R0.221 CC/C=C\CCCCCOCCCC(=O)OC 7a_100016268722_100011218270 [0,1,0,0,0,0|1,0,2]=4 2635 B16R0.221 CC/C=C\CCCCOCCCCC(=O)OC 34a_100016287862_100000204269 [0,1,0,0,0,0|1,0,2]=4 2636 B16R0.221 CC/C=C\CCCCOCCCCC(=O)OC 7a_100016287862_100000204269 [0,1,0,0,0,0|1,0,2]=4 2637 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 34a_100009863599_100015370543 [0,1,0,0,0,0|1,0,2]=4 2638 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 34a_100016288707_100009815986 [0,1,0,0,0,0|1,0,2]=4 2639 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 7a_100009863599_100015370543 [0,1,0,0,0,0|1,0,2]=4 2640 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 7a_100016288707_100009815986 [0,1,0,0,0,0|1,0,2]=4 2641 B16R0.221 CC/C=C\CCSCCCCCCC(=O)OC 62a_100009815986_100015370543 [0,1,0,0,0,0|1,0,2]=4 2642 B16R0.221 CC/C=C\CCSCCCCCCC(=O)OC 62a_100015370543_100009815986 [0,1,0,0,0,0|1,0,2]=4 2643 B16R0.221 CC/C=C\COCCCCCCCC(=O)OC 34a_100011022521_100103147603 [0,1,0,0,0,0|1,0,2]=4 2644 B16R0.221 CC/C=C\COCCCCCCCC(=O)OC 34a_100016268518_100010004213 [0,1,0,0,0,0|1,0,2]=4 2645 B16R0.221 CC/C=C\COCCCCCCCC(=O)OC 7a_100011022521_100103147603 [0,1,0,0,0,0|1,0,2]=4 2646 B16R0.221 CC/C=C\CSCCCCCCCC(=O)OC 62a_100010004213_100103147603 [0,1,0,0,0,0|1,0,2]=4 2647 B16R0.221 CC/C=C\CSCCCCCCCC(=O)OC 62a_100103147603_100010004213 [0,1,0,0,0,0|1,0,2]=4 2648 B16R0.221 CC=CCCCOCCCCCCC(=O)OC 34a_100020645299_100009815986 [0,1,0,0,0,0|1,0,2]=4 2649 B16R0.221 CC=CCOCCCCCCCCC(=O)OC 34a_100000035544_100000070051 [0,1,0,0,0,0|1,0,2]=4 2650 B16R0.221 CC=CCOCCCCCCCCC(=O)OC 7a_100000035544_100000070051 [0,1,0,0,0,0|1,0,2]=4 2651 B16R0.221 CC=CCSCCCCCCCCC(=O)OC 62a_100000070051_100010282707 [0,1,0,0,0,0|1,0,2]=4 2652 B16R0.221 CC=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000070051 [0,1,0,0,0,0|1,0,2]=4 2653 B16R0.221 CCC#CCCCCCCSCCC(=O)OC 62a_100000204255_200000036426 [0,1,0,0,0,0|1,0,2]=4 2654 B16R0.221 CCC#CCCCCCCSCCC(=O)OC 62a_200000036426_100000204255 [0,1,0,0,0,0|1,0,2]=4 2655 B16R0.221 CCC#CCCOCCCCCCC(=O)OC 34a_100000036655_100009815986 [0,1,0,0,0,0|1,0,2]=4 2656 B16R0.221 CCC#CCCOCCCCCCC(=O)OC 7a_100000036655_100009815986 [0,1,0,0,0,0|1,0,2]=4 2657 B16R0.221 CCC#CCOCCCCCCCC(=O)OC 34a_100000032950_100010004213 [0,1,0,0,0,0|1,0,2]=4 2658 B16R0.221 CCC#CCOCCCCCCCC(=O)OC 34a_100011022521_100009813939 [0,1,0,0,0,0|1,0,2]=4 2659 B16R0.221 CCC#CCOCCCCCCCC(=O)OC 7a_100011022521_100009813939 [0,1,0,0,0,0|1,0,2]=4 2660 B16R0.221 CCC#CCSCCCCCCCC(=O)OC 62a_100009813939_100010004213 [0,1,0,0,0,0|1,0,2]=4 2661 B16R0.221 CCC#CCSCCCCCCCC(=O)OC 62a_100010004213_100009813939 [0,1,0,0,0,0|1,0,2]=4 2662 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [0,1,0,0,0,0|2,0,0]=3 2663 B16R0.221 CCC(=O)CCCCCCOCCCCCO 1458a_100000210414_200132310570 [0,1,0,0,0,0|3,0,0]=4 2664 B16R0.221 CCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747405 [0,1,0,0,0,0|3,0,0]=4 2665 B16R0.221 CCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747405 [0,1,0,0,0,0|3,0,0]=4 2666 B16R0.221 CCC(=O)COCCCCCCCCCCO 34a_100000725409_100009813290 [0,1,0,0,0,0|3,0,0]=4 2667 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100000747405_200000033068 [0,1,0,0,0,0|3,0,0]=4 2668 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747405 [0,1,0,0,0,0|3,0,0]=4 2669 B16R0.221 CCC/C=C/COCCCCCCC(=O)OC 34a_100016278788_100009815986 [0,1,0,0,0,0|1,0,2]=4 2670 B16R0.221 CCC/C=C/COCCCCCCC(=O)OC 7a_100016278788_100009815986 [0,1,0,0,0,0|1,0,2]=4 2671 B16R0.221 CCCC#CCCOCCCCCC(=O)OC 34a_100000042726_100009816466 [0,1,0,0,0,0|1,0,2]=4 2672 B16R0.221 CCCC#CCCOCCCCCC(=O)OC 7a_100000042726_100009816466 [0,1,0,0,0,0|1,0,2]=4 2673 B16R0.221 CCCC#CCOCCCCCCC(=O)OC 34a_100000034806_100009815986 [0,1,0,0,0,0|1,0,2]=4 2674 B16R0.221 CCCC#CCOCCCCCCC(=O)OC 7a_100000034806_100009815986 [0,1,0,0,0,0|1,0,2]=4 2675 B16R0.221 CCCC/C=C/CCCCOCCC(=O)OC 34a_200020645093_100000742370 [0,1,0,0,0,0|1,0,2]=4 2676 B16R0.221 CCCC/C=C/CCCCOCCC(=O)OC 7a_200020645093_100000204255 [0,1,0,0,0,0|1,0,2]=4 2677 B16R0.221 CCCC/C=C/COCCCCCC(=O)OC 34a_200016272032_100009816466 [0,1,0,0,0,0|1,0,2]=4 2678 B16R0.221 CCCC/C=C/COCCCCCC(=O)OC 7a_200016272032_100009816466 [0,1,0,0,0,0|1,0,2]=4 2679 B16R0.221 CCCC/C=C\CCOCCCCC(=O)OC 34a_200016286491_100000204269 [0,1,0,0,0,0|1,0,2]=4 2680 B16R0.221 CCCC/C=C\CCOCCCCC(=O)OC 7a_200016286491_100000204269 [0,1,0,0,0,0|1,0,2]=4 2681 B16R0.221 CCCCC#CCCCCOCCC(=O)OC 34a_200000066234_100000742370 [0,1,0,0,0,0|1,0,2]=4 2682 B16R0.221 CCCCC#CCCCCOCCC(=O)OC 7a_200000066234_100000204255 [0,1,0,0,0,0|1,0,2]=4 2683 B16R0.221 CCCCC#CCCCSCCCC(=O)OC 62a_100011218270_200000047210 [0,1,0,0,0,0|1,0,2]=4 2684 B16R0.221 CCCCC#CCCCSCCCC(=O)OC 62a_200000047210_100011218270 [0,1,0,0,0,0|1,0,2]=4 2685 B16R0.221 CCCCC#CCCOCCCCC(=O)OC 34a_100000037610_100000204269 [0,1,0,0,0,0|1,0,2]=4 2686 B16R0.221 CCCCC#CCCOCCCCC(=O)OC 7a_100000037610_100000204269 [0,1,0,0,0,0|1,0,2]=4 2687 B16R0.221 CCCCC#CCOCCCCCC(=O)OC 34a_200000034558_100009816466 [0,1,0,0,0,0|1,0,2]=4 2688 B16R0.221 CCCCC#CCOCCCCCC(=O)OC 7a_200000034558_100009816466 [0,1,0,0,0,0|1,0,2]=4 2689 B16R0.221 CCCCC/C=C/COCCCCC(=O)OC 34a_100016258190_100000204269 [0,1,0,0,0,0|1,0,2]=4 2690 B16R0.221 CCCCC/C=C/COCCCCC(=O)OC 7a_100016258190_100000204269 [0,1,0,0,0,0|1,0,2]=4 2691 B16R0.221 CCCCC/C=C\CCCOCCC(=O)OC 34a_100020655193_100000742370 [0,1,0,0,0,0|1,0,2]=4 2692 B16R0.221 CCCCC/C=C\CCCOCCC(=O)OC 7a_100020655193_100000204255 [0,1,0,0,0,0|1,0,2]=4 2693 B16R0.221 CCCCC/C=C\CCOCCCC(=O)OC 34a_100016277358_100000742333 [0,1,0,0,0,0|1,0,2]=4 2694 B16R0.221 CCCCC/C=C\CCOCCCC(=O)OC 7a_100016277358_100011218270 [0,1,0,0,0,0|1,0,2]=4 2695 B16R0.221 CCCCCC#CCCOCCCC(=O)OC 34a_200000042877_100000742333 [0,1,0,0,0,0|1,0,2]=4 2696 B16R0.221 CCCCCC#CCCOCCCC(=O)OC 7a_200000042877_100011218270 [0,1,0,0,0,0|1,0,2]=4 2697 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 34a_100000059025_100009816472 [0,1,0,0,0,0|1,0,2]=4 2698 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 34a_200000033628_100000204269 [0,1,0,0,0,0|1,0,2]=4 2699 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 7a_100000059025_100009816472 [0,1,0,0,0,0|1,0,2]=4 2700 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 7a_200000033628_100000204269 [0,1,0,0,0,0|1,0,2]=4 2701 B16R0.221 CCCCCC#CCSCCCCC(=O)OC 62a_100000204269_100009816472 [0,1,0,0,0,0|1,0,2]=4 2702 B16R0.221 CCCCCC#CCSCCCCC(=O)OC 62a_100009816472_100000204269 [0,1,0,0,0,0|1,0,2]=4 2703 B16R0.221 CCCCCC/C=C/COCCCC(=O)OC 34a_200016276170_100000742333 [0,1,0,0,0,0|1,0,2]=4 2704 B16R0.221 CCCCCC/C=C/COCCCC(=O)OC 7a_200016276170_100011218270 [0,1,0,0,0,0|1,0,2]=4 2705 B16R0.221 CCCCCCC#CCCOCCC(=O)OC 34a_200000033163_100000742370 [0,1,0,0,0,0|1,0,2]=4 2706 B16R0.221 CCCCCCC#CCCOCCC(=O)OC 7a_200000033163_100000204255 [0,1,0,0,0,0|1,0,2]=4 2707 B16R0.221 CCCCCCC#CCOCCCC(=O)OC 34a_200000037284_100000742333 [0,1,0,0,0,0|1,0,2]=4 2708 B16R0.221 CCCCCCC#CCOCCCC(=O)OC 7a_200000037284_100011218270 [0,1,0,0,0,0|1,0,2]=4 2709 B16R0.221 CCCCCCCC#CCOCCC(=O)OC 34a_200000061759_100000742370 [0,1,0,0,0,0|1,0,2]=4 2710 B16R0.221 CCCCCCCC#CCOCCC(=O)OC 7a_200000061759_100000204255 [0,1,0,0,0,0|1,0,2]=4 2711 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 34a_200020667288_100000747449 [0,1,0,0,0,0|1,0,2]=4 2712 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 7a_200020667288_100000747449 [0,1,0,0,0,0|1,0,2]=4 2713 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [0,1,0,0,0,0|0,0,0]=1 2714 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [0,1,0,0,0,0|1,0,0]=2 2715 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [0,1,0,0,0,0|1,0,0]=2 2716 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [0,1,0,0,0,0|1,0,0]=2 2717 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [0,1,0,0,0,0|2,0,0]=3 2718 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [0,1,0,0,0,0|2,0,0]=3 2719 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [0,1,0,0,0,0|2,0,0]=3 2720 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [0,1,0,0,0,0|2,0,0]=3 2721 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [0,1,0,0,0,0|1,0,0]=2 2722 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [0,1,0,0,0,0|1,0,0]=2 2723 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100000210451_106832991635 [0,1,0,0,0,0|2,0,0]=3 2724 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100000210451 [0,1,0,0,0,0|2,0,0]=3 2725 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100000210451_100102657272 [0,1,0,0,0,0|2,0,0]=3 2726 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100000210451 [0,1,0,0,0,0|2,0,0]=3 2727 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_100000210451_100102657272 [0,1,0,0,0,0|2,0,0]=3 2728 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_106832991638_100000210451 [0,1,0,0,0,0|2,0,0]=3 2729 B16R0.221 CCCCCCCCCCCCNC(C)CO 2230a_100000210451_100012180447 [0,1,0,0,0,0|2,0,1]=4 2730 B16R0.221 CCCCCCCCCCCCNC(C)CO 34a_100000210451_100012180447 [0,1,0,0,0,0|2,0,1]=4 2731 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215052 [0,1,0,0,0,0|2,0,1]=4 2732 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_100011218549 [0,1,0,0,0,0|2,0,1]=4 2733 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [0,1,0,0,0,0|2,0,1]=4 2734 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [0,1,0,0,0,0|2,0,1]=4 2735 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215454 [0,1,0,0,0,0|2,0,0]=3 2736 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_200011215754_100000183359 [0,1,0,0,0,0|2,0,0]=3 2737 B16R0.221 CCCCCCCCCCCNCC(=O)NC 34a_200011215754_100000183359 [0,1,0,0,0,0|2,0,0]=3 2738 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [0,1,0,0,0,0|1,0,0]=2 2739 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [0,1,0,0,0,0|1,0,0]=2 2740 B16R0.221 CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011215454 [0,1,0,0,0,0|2,0,1]=4 2741 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215454 [0,1,0,0,0,0|2,0,1]=4 2742 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_200011215754_100011218378 [0,1,0,0,0,0|2,0,1]=4 2743 B16R0.221 CCCCCCCCCCCNCC(O)CC 34a_200011215754_100011218378 [0,1,0,0,0,0|2,0,1]=4 2744 B16R0.221 CCCCCCCCCCCNCC(O)CO 2230a_200011215754_100011219619 [0,1,0,0,0,0|1,0,2]=4 2745 B16R0.221 CCCCCCCCCCCNCC(O)CO 34a_200011215754_100011219619 [0,1,0,0,0,0|1,0,2]=4 2746 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 2230a_200011215754_100000059175 [0,1,0,0,0,0|2,0,1]=4 2747 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 34a_200011215754_100000059175 [0,1,0,0,0,0|2,0,1]=4 2748 B16R0.221 CCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215454 [0,1,0,0,0,0|2,0,1]=4 2749 B16R0.221 CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215454 [0,1,0,0,0,0|2,0,1]=4 2750 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 2230a_200011215754_100015614560 [0,1,0,0,0,0|2,0,1]=4 2751 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 34a_200011215754_100015614560 [0,1,0,0,0,0|2,0,1]=4 2752 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 2230a_200011215754_100009815848 [0,1,0,0,0,0|1,0,2]=4 2753 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 34a_200011215754_100009815848 [0,1,0,0,0,0|1,0,2]=4 2754 B16R0.221 CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215454 [0,1,0,0,0,0|1,0,2]=4 2755 B16R0.221 CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011215454 [0,1,0,0,0,0|2,0,0]=3 2756 B16R0.221 CCCCCCCCCCCOCC(=O)CC 7a_100000210809_100000747405 [0,1,0,0,0,0|2,0,0]=3 2757 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000210809_100000183359 [0,1,0,0,0,0|2,0,0]=3 2758 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000750040_100011215454 [0,1,0,0,0,0|2,0,0]=3 2759 B16R0.221 CCCCCCCCCCCOCC(=O)NC 7a_100000210809_100000183359 [0,1,0,0,0,0|2,0,0]=3 2760 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [0,1,0,0,0,0|1,0,0]=2 2761 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [0,1,0,0,0,0|1,0,0]=2 2762 B16R0.221 CCCCCCCCCCCOCC(C)OC 34a_100000690652_100011215454 [0,1,0,0,0,0|2,0,1]=4 2763 B16R0.221 CCCCCCCCCCCOCC(O)CC 34a_100000210809_100011218378 [0,1,0,0,0,0|2,0,1]=4 2764 B16R0.221 CCCCCCCCCCCOCC(O)CC 7a_100000210809_100011218378 [0,1,0,0,0,0|2,0,1]=4 2765 B16R0.221 CCCCCCCCCCCOCC(O)CO 34a_100000210809_100011219619 [0,1,0,0,0,0|1,0,2]=4 2766 B16R0.221 CCCCCCCCCCCOCC(O)CO 7a_100000210809_100011219619 [0,1,0,0,0,0|1,0,2]=4 2767 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 34a_100000210809_100000059175 [0,1,0,0,0,0|2,0,1]=4 2768 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 7a_100000210809_100000059175 [0,1,0,0,0,0|2,0,1]=4 2769 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 34a_100000210809_100015614560 [0,1,0,0,0,0|2,0,1]=4 2770 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 7a_100000210809_100015614560 [0,1,0,0,0,0|2,0,1]=4 2771 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 34a_100000210809_100009815848 [0,1,0,0,0,0|1,0,2]=4 2772 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 7a_100000210809_100009815848 [0,1,0,0,0,0|1,0,2]=4 2773 B16R0.221 CCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011215454 [0,1,0,0,0,0|2,0,0]=3 2774 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [0,1,0,0,0,0|1,0,0]=2 2775 B16R0.221 CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011215454 [0,1,0,0,0,0|1,0,2]=4 2776 B16R0.221 CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215454 [0,1,0,0,0,0|2,0,1]=4 2777 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215454 [0,1,0,0,0,0|2,0,1]=4 2778 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215454 [0,1,0,0,0,0|1,0,2]=4 2779 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [0,1,0,0,0,0|2,0,0]=3 2780 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [0,1,0,0,0,0|2,0,0]=3 2781 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [0,1,0,0,0,0|2,0,0]=3 2782 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [0,1,0,0,0,0|2,0,0]=3 2783 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [0,1,0,0,0,0|1,0,0]=2 2784 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [0,1,0,0,0,0|1,0,0]=2 2785 B16R0.221 CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100000210320 [0,1,0,0,0,0|2,0,1]=4 2786 B16R0.221 CCCCCCCCCCNCCC(C)CO 34a_106354213184_100000210320 [0,1,0,0,0,0|2,0,1]=4 2787 B16R0.221 CCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000210320 [0,1,0,0,0,0|2,0,0]=3 2788 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [0,1,0,0,0,0|2,0,0]=3 2789 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [0,1,0,0,0,0|2,0,0]=3 2790 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [0,1,0,0,0,0|2,0,0]=3 2791 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [0,1,0,0,0,0|1,0,0]=2 2792 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [0,1,0,0,0,0|1,0,0]=2 2793 B16R0.221 CCCCCCCCCCOCCC(C)OC 7a_100000764861_100000210320 [0,1,0,0,0,0|2,0,1]=4 2794 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [0,1,0,0,0,0|2,0,0]=3 2795 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [0,1,0,0,0,0|1,0,0]=2 2796 B16R0.221 CCCCCCCCCNC/C=C/C(=O)OC 2230a_100000212291_100000742655 [0,1,0,0,0,0|1,0,2]=4 2797 B16R0.221 CCCCCCCCCNC/C=C/C(=O)OC 34a_100000212291_100000742655 [0,1,0,0,0,0|1,0,2]=4 2798 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [0,1,0,0,0,0|2,0,0]=3 2799 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [0,1,0,0,0,0|2,0,0]=3 2800 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [0,1,0,0,0,0|2,0,0]=3 2801 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [0,1,0,0,0,0|2,0,0]=3 2802 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [0,1,0,0,0,0|1,0,0]=2 2803 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [0,1,0,0,0,0|1,0,0]=2 2804 B16R0.221 CCCCCCCCCNCCNC(=O)CC 34a_100132302217_100011214924 [0,1,0,0,0,0|3,0,0]=4 2805 B16R0.221 CCCCCCCCCNCCNC(=O)NC 34a_100015205895_100011214924 [0,1,0,0,0,0|3,0,0]=4 2806 B16R0.221 CCCCCCCCCNCCOC(=O)NC 34a_100000212291_200011997002 [0,1,0,0,0,0|3,0,0]=4 2807 B16R0.221 CCCCCCCCCOC/C=C/C(=O)OC 34a_100000210712_100000742655 [0,1,0,0,0,0|1,0,2]=4 2808 B16R0.221 CCCCCCCCCOC/C=C/C(=O)OC 7a_100000210712_100000742655 [0,1,0,0,0,0|1,0,2]=4 2809 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [0,1,0,0,0,0|2,0,0]=3 2810 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [0,1,0,0,0,0|2,0,0]=3 2811 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [0,1,0,0,0,0|2,0,0]=3 2812 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [0,1,0,0,0,0|1,0,0]=2 2813 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [0,1,0,0,0,0|1,0,0]=2 2814 B16R0.221 CCCCCCCCCOCCNC(=O)CC 34a_200000158885_100011214924 [0,1,0,0,0,0|3,0,0]=4 2815 B16R0.221 CCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210328 [0,1,0,0,0,0|3,0,0]=4 2816 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [0,1,0,0,0,0|2,0,0]=3 2817 B16R0.221 CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210328 [0,1,0,0,0,0|3,0,0]=4 2818 B16R0.221 CCCCCCCCCOCCOC(=O)NC 34a_100000210712_200011997002 [0,1,0,0,0,0|3,0,0]=4 2819 B16R0.221 CCCCCCCCCOCCOC(=O)NC 7a_100000210712_200011997002 [0,1,0,0,0,0|3,0,0]=4 2820 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [0,1,0,0,0,0|2,0,0]=3 2821 B16R0.221 CCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210670 [0,1,0,0,0,0|1,0,2]=4 2822 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [0,1,0,0,0,0|2,0,0]=3 2823 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [0,1,0,0,0,0|1,0,0]=2 2824 B16R0.221 CCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210670 [0,1,0,0,0,0|3,0,0]=4 2825 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [0,1,0,0,0,0|1,0,0]=2 2826 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [0,1,0,0,0,0|1,0,0]=2 2827 B16R0.221 CCCCCCCCNCCOCC(=O)OC 2230a_100000229939_100000090808 [0,1,0,0,0,0|2,0,0]=3 2828 B16R0.221 CCCCCCCCNCCOCC(=O)OC 34a_100000229939_100000090808 [0,1,0,0,0,0|2,0,0]=3 2829 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [0,1,0,0,0,0|1,0,0]=2 2830 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [0,1,0,0,0,0|1,0,0]=2 2831 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [0,1,0,0,0,0|1,0,0]=2 2832 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [0,1,0,0,0,0|1,0,0]=2 2833 B16R0.221 CCCCCCCCOCCOCC(=O)OC 34a_100000210232_100000090808 [0,1,0,0,0,0|2,0,0]=3 2834 B16R0.221 CCCCCCCCOCCOCC(=O)OC 7a_100000210232_100000090808 [0,1,0,0,0,0|2,0,0]=3 2835 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [0,1,0,0,0,0|1,0,0]=2 2836 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [0,1,0,0,0,0|1,0,0]=2 2837 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210317 [0,1,0,0,0,0|2,0,0]=3 2838 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000210759_100000090808 [0,1,0,0,0,0|2,0,0]=3 2839 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [0,1,0,0,0,0|1,0,0]=2 2840 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [0,1,0,0,0,0|1,0,0]=2 2841 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [0,1,0,0,0,0|1,0,0]=2 2842 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [0,1,0,0,0,0|1,0,0]=2 2843 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [0,1,0,0,0,0|1,0,0]=2 2844 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [0,1,0,0,0,0|1,0,0]=2 2845 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [0,1,0,0,0,0|1,0,0]=2 2846 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [0,1,0,0,0,0|1,0,0]=2 2847 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [0,1,0,0,0,0|1,0,0]=2 2848 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [0,1,0,0,0,0|1,0,0]=2 2849 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [0,1,0,0,0,0|1,0,0]=2 2850 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [0,1,0,0,0,0|1,0,0]=2 2851 B16R0.221 CCCCCCOCCOCCCC(=O)NC 34a_100000691444_100000741757 [0,1,0,0,0,0|3,0,0]=4 2852 B16R0.221 CCCCCCOCCOCCCC(=O)NC 7a_100000691444_100000741757 [0,1,0,0,0,0|3,0,0]=4 2853 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [0,1,0,0,0,0|2,0,0]=3 2854 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [0,1,0,0,0,0|2,0,0]=3 2855 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [0,1,0,0,0,0|1,0,0]=2 2856 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [0,1,0,0,0,0|1,0,0]=2 2857 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [0,1,0,0,0,0|1,0,0]=2 2858 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [0,1,0,0,0,0|2,0,0]=3 2859 B16R0.221 CCCCCNCCOCCOCC(=O)OC 34a_100000224656_100000090808 [0,1,0,0,0,0|3,0,0]=4 2860 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [0,1,0,0,0,0|1,0,0]=2 2861 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [0,1,0,0,0,0|1,0,0]=2 2862 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [0,1,0,0,0,0|1,0,0]=2 2863 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [0,1,0,0,0,0|1,0,0]=2 2864 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [0,1,0,0,0,0|2,0,0]=3 2865 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [0,1,0,0,0,0|2,0,0]=3 2866 B16R0.221 CCCCCOCCOCCOCC(=O)OC 34a_100011023656_100000718602 [0,1,0,0,0,0|3,0,0]=4 2867 B16R0.221 CCCCCOCCOCCOCC(=O)OC 34a_100011215259_100000090808 [0,1,0,0,0,0|3,0,0]=4 2868 B16R0.221 CCCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210326 [0,1,0,0,0,0|3,0,0]=4 2869 B16R0.221 CCCCCOCCOCCOCC(=O)OC 7a_100011215259_100000090808 [0,1,0,0,0,0|3,0,0]=4 2870 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [0,1,0,0,0,0|1,0,0]=2 2871 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [0,1,0,0,0,0|1,0,0]=2 2872 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [0,1,0,0,0,0|1,0,0]=2 2873 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [0,1,0,0,0,0|1,0,0]=2 2874 B16R0.221 CCCCNCCCCOCCCC(=O)NC 34a_200011216965_100000741757 [0,1,0,0,0,0|3,0,0]=4 2875 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [0,1,0,0,0,0|2,0,0]=3 2876 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [0,1,0,0,0,0|1,0,0]=2 2877 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [0,1,0,0,0,0|1,0,0]=2 2878 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [0,1,0,0,0,0|1,0,0]=2 2879 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [0,1,0,0,0,0|1,0,0]=2 2880 B16R0.221 CCCCOCCCCOCCCC(=O)NC 34a_200000760531_100000741757 [0,1,0,0,0,0|3,0,0]=4 2881 B16R0.221 CCCCOCCCCOCCCC(=O)NC 7a_200000760531_100000741757 [0,1,0,0,0,0|3,0,0]=4 2882 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [0,1,0,0,0,0|2,0,0]=3 2883 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [0,1,0,0,0,0|2,0,0]=3 2884 B16R0.221 CCCCOCCCNCCCCC(=O)OC 2230a_200000211371_100000204269 [0,1,0,0,0,0|2,0,0]=3 2885 B16R0.221 CCCCOCCCNCCCCC(=O)OC 34a_200000211371_100000204269 [0,1,0,0,0,0|2,0,0]=3 2886 B16R0.221 CCCCOCCCNCCOCC(=O)OC 2230a_200000211371_100000090808 [0,1,0,0,0,0|3,0,0]=4 2887 B16R0.221 CCCCOCCCNCCOCC(=O)OC 34a_200000211371_100000090808 [0,1,0,0,0,0|3,0,0]=4 2888 B16R0.221 CCCCOCCCOCCCCC(=O)OC 34a_200011215613_100000204269 [0,1,0,0,0,0|2,0,0]=3 2889 B16R0.221 CCCCOCCCOCCCCC(=O)OC 7a_200011215613_100000204269 [0,1,0,0,0,0|2,0,0]=3 2890 B16R0.221 CCCCOCCCOCCOCC(=O)OC 34a_200011215613_100000090808 [0,1,0,0,0,0|3,0,0]=4 2891 B16R0.221 CCCCOCCCOCCOCC(=O)OC 7a_200011215613_100000090808 [0,1,0,0,0,0|3,0,0]=4 2892 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000074720_100000743108 [0,1,0,0,0,0|2,0,0]=3 2893 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000210238_100009816466 [0,1,0,0,0,0|2,0,0]=3 2894 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000074720_100000743108 [0,1,0,0,0,0|2,0,0]=3 2895 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000210238_100009816466 [0,1,0,0,0,0|2,0,0]=3 2896 B16R0.221 CCCCOCCOCCOCCC(=O)OC 34a_100010982084_100000210210 [0,1,0,0,0,0|3,0,0]=4 2897 B16R0.221 CCCCOCCOCCOCCC(=O)OC 34a_100011215186_100000742370 [0,1,0,0,0,0|3,0,0]=4 2898 B16R0.221 CCCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210211 [0,1,0,0,0,0|3,0,0]=4 2899 B16R0.221 CCCCOCCOCCOCCC(=O)OC 7a_100011215186_100000204255 [0,1,0,0,0,0|3,0,0]=4 2900 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100000743108_100009816466 [0,1,0,0,0,0|2,0,0]=3 2901 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100009816466_100000743108 [0,1,0,0,0,0|2,0,0]=3 2902 B16R0.221 CCCCOCOCCCCCCC(=O)OC 34a_100009863599_100011995733 [0,1,0,0,0,0|2,0,0]=3 2903 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100009815986_100011995733 [0,1,0,0,0,0|2,0,0]=3 2904 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100011995733_100009815986 [0,1,0,0,0,0|2,0,0]=3 2905 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [0,1,0,0,0,0|1,0,0]=2 2906 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [0,1,0,0,0,0|1,0,0]=2 2907 B16R0.221 CCCCSCCNCCCCCC(=O)OC 2230a_100025743550_100009816466 [0,1,0,0,0,0|2,0,0]=3 2908 B16R0.221 CCCCSCCOCCCCCC(=O)OC 34a_200000230436_100009816466 [0,1,0,0,0,0|2,0,0]=3 2909 B16R0.221 CCCCSCCOCCCCCC(=O)OC 7a_200000230436_100009816466 [0,1,0,0,0,0|2,0,0]=3 2910 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [0,1,0,0,0,0|1,0,0]=2 2911 B16R0.221 CCCOCCCNCCCCCC(=O)OC 2230a_100011217757_100009816466 [0,1,0,0,0,0|2,0,0]=3 2912 B16R0.221 CCCOCCCNCCCCCC(=O)OC 34a_100011217757_100009816466 [0,1,0,0,0,0|2,0,0]=3 2913 B16R0.221 CCCOCCNCCCCCCC(=O)OC 2230a_100161115042_100009815986 [0,1,0,0,0,0|2,0,0]=3 2914 B16R0.221 CCCOCCNCCCCCCC(=O)OC 34a_100161115042_100009815986 [0,1,0,0,0,0|2,0,0]=3 2915 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100000752267_100009815986 [0,1,0,0,0,0|2,0,0]=3 2916 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100009863599_100011215938 [0,1,0,0,0,0|2,0,0]=3 2917 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100000752267_100009815986 [0,1,0,0,0,0|2,0,0]=3 2918 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215938 [0,1,0,0,0,0|2,0,0]=3 2919 B16R0.221 CCCOCCOCCNCCCC(=O)OC 2230a_200011904461_100011218270 [0,1,0,0,0,0|3,0,0]=4 2920 B16R0.221 CCCOCCOCCNCCCC(=O)OC 34a_200011904461_100000742333 [0,1,0,0,0,0|3,0,0]=4 2921 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215938 [0,1,0,0,0,0|2,0,0]=3 2922 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100011215938_100009815986 [0,1,0,0,0,0|2,0,0]=3 2923 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [0,1,0,0,0,0|1,0,0]=2 2924 B16R0.221 CCCSCCNCCCCCCC(=O)OC 2230a_100020603323_100009815986 [0,1,0,0,0,0|2,0,0]=3 2925 B16R0.221 CCCSCCOCCCCCCC(=O)OC 34a_200000230433_100009815986 [0,1,0,0,0,0|2,0,0]=3 2926 B16R0.221 CCCSCCOCCCCCCC(=O)OC 7a_200000230433_100009815986 [0,1,0,0,0,0|2,0,0]=3 2927 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [0,1,0,0,0,0|1,0,0]=2 2928 B16R0.221 CCNN=CCCCCCCCCC(=O)OC 4a_100000756455_200010166605 [0,1,0,0,0,0|2,0,1]=4 2929 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [0,1,0,0,0,0|1,0,0]=2 2930 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [0,1,0,0,0,0|1,0,0]=2 2931 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [0,1,0,0,0,0|1,0,0]=2 2932 B16R0.221 CCOCCCNCCCCCCC(=O)OC 2230a_100000210961_100009815986 [0,1,0,0,0,0|2,0,0]=3 2933 B16R0.221 CCOCCCNCCCCCCC(=O)OC 34a_100000210961_100009815986 [0,1,0,0,0,0|2,0,0]=3 2934 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100000757476_100009815986 [0,1,0,0,0,0|2,0,0]=3 2935 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100009863599_100012232248 [0,1,0,0,0,0|2,0,0]=3 2936 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100000757476_100009815986 [0,1,0,0,0,0|2,0,0]=3 2937 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100009863599_100012232248 [0,1,0,0,0,0|2,0,0]=3 2938 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100009815986_100012232248 [0,1,0,0,0,0|2,0,0]=3 2939 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100012232248_100009815986 [0,1,0,0,0,0|2,0,0]=3 2940 B16R0.221 CCOCCNCCCCCCCC(=O)OC 2230a_102516460346_100010004213 [0,1,0,0,0,0|2,0,0]=3 2941 B16R0.221 CCOCCNCCCCCCCC(=O)OC 34a_102516460346_100010004213 [0,1,0,0,0,0|2,0,0]=3 2942 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100000210136_100010004213 [0,1,0,0,0,0|2,0,0]=3 2943 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000210147 [0,1,0,0,0,0|2,0,0]=3 2944 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100000210136_100010004213 [0,1,0,0,0,0|2,0,0]=3 2945 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215890 [0,1,0,0,0,0|2,0,0]=3 2946 B16R0.221 CCOCCOCCNCCCCC(=O)OC 2230a_100102712874_100000204269 [0,1,0,0,0,0|3,0,0]=4 2947 B16R0.221 CCOCCOCCNCCCCC(=O)OC 34a_100102712874_100000204269 [0,1,0,0,0,0|3,0,0]=4 2948 B16R0.221 CCOCCOCCOCCCCC(=O)OC 34a_100000059025_100011211534 [0,1,0,0,0,0|3,0,0]=4 2949 B16R0.221 CCOCCOCCOCCCCC(=O)OC 34a_100000210240_100000204269 [0,1,0,0,0,0|3,0,0]=4 2950 B16R0.221 CCOCCOCCOCCCCC(=O)OC 7a_100000059025_100011211534 [0,1,0,0,0,0|3,0,0]=4 2951 B16R0.221 CCOCCOCCOCCCCC(=O)OC 7a_100000210240_100000204269 [0,1,0,0,0,0|3,0,0]=4 2952 B16R0.221 CCOCCOCCSCCCCC(=O)OC 62a_100000204269_100011211534 [0,1,0,0,0,0|3,0,0]=4 2953 B16R0.221 CCOCCOCCSCCCCC(=O)OC 62a_100011211534_100000204269 [0,1,0,0,0,0|3,0,0]=4 2954 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100000210147_100010004213 [0,1,0,0,0,0|2,0,0]=3 2955 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215890 [0,1,0,0,0,0|2,0,0]=3 2956 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100000739092_100010282707 [0,1,0,0,0,0|2,0,0]=3 2957 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100010282707_100000739092 [0,1,0,0,0,0|2,0,0]=3 2958 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [0,1,0,0,0,0|1,0,0]=2 2959 B16R0.221 CCSCCCOCCCCCCC(=O)OC 34a_100011216438_100009815986 [0,1,0,0,0,0|2,0,0]=3 2960 B16R0.221 CCSCCCOCCCCCCC(=O)OC 7a_100011216438_100009815986 [0,1,0,0,0,0|2,0,0]=3 2961 B16R0.221 CCSCCNCCCCCCCC(=O)OC 2230a_100000106463_100010004213 [0,1,0,0,0,0|2,0,0]=3 2962 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100000212035_100010004213 [0,1,0,0,0,0|2,0,0]=3 2963 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100011022521_100000757381 [0,1,0,0,0,0|2,0,0]=3 2964 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100000212035_100010004213 [0,1,0,0,0,0|2,0,0]=3 2965 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100011022521_100000757381 [0,1,0,0,0,0|2,0,0]=3 2966 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100000757381_100010004213 [0,1,0,0,0,0|2,0,0]=3 2967 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100010004213_100000757381 [0,1,0,0,0,0|2,0,0]=3 2968 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [0,1,0,0,0,0|2,0,0]=3 2969 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_100000740002_100000033203 [0,1,0,0,0,0|3,0,0]=4 2970 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_102515433106_100000741757 [0,1,0,0,0,0|3,0,0]=4 2971 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_100000740002_100000033203 [0,1,0,0,0,0|3,0,0]=4 2972 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_102515433106_100000741757 [0,1,0,0,0,0|3,0,0]=4 2973 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000741757 [0,1,0,0,0,0|3,0,0]=4 2974 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 7a_100009813846_100000741757 [0,1,0,0,0,0|3,0,0]=4 2975 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000741757 [0,1,0,0,0,0|3,0,0]=4 2976 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 7a_100000033203_100000741757 [0,1,0,0,0,0|3,0,0]=4 2977 B16R0.221 CNC(=O)CCCOCCCCCCCCN 34a_102515433106_100000741757 [0,1,0,0,0,0|3,0,0]=4 2978 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000033203_100000741757 [0,1,0,0,0,0|3,0,0]=4 2979 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000741757_100000033203 [0,1,0,0,0,0|3,0,0]=4 2980 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000737683 [0,1,0,0,0,0|3,0,0]=4 2981 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000738227_100009813782 [0,1,0,0,0,0|3,0,0]=4 2982 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000078944_100012179268 [0,1,0,0,0,0|3,0,0]=4 2983 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000738227_100009813782 [0,1,0,0,0,0|3,0,0]=4 2984 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 34a_100009813782_100012179268 [0,1,0,0,0,0|3,0,0]=4 2985 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000737683 [0,1,0,0,0,0|3,0,0]=4 2986 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 34a_100009868337_100012179268 [0,1,0,0,0,0|3,0,0]=4 2987 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000737683 [0,1,0,0,0,0|3,0,0]=4 2988 B16R0.221 CNC(=O)CCOCCCCCCCCCN 34a_100000078944_100012179268 [0,1,0,0,0,0|3,0,0]=4 2989 B16R0.221 CNC(=O)CCOCCCCCCCCCO 34a_100000754576_100009813782 [0,1,0,0,0,0|3,0,0]=4 2990 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100000737683_100009813782 [0,1,0,0,0,0|3,0,0]=4 2991 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100009813782_100000737683 [0,1,0,0,0,0|3,0,0]=4 2992 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000183359 [0,1,0,0,0,0|3,0,0]=4 2993 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000693194_100009813290 [0,1,0,0,0,0|3,0,0]=4 2994 B16R0.221 CNC(=O)CNCCCCCCCCCCO 34a_100000066964_100000183359 [0,1,0,0,0,0|3,0,0]=4 2995 B16R0.221 CNC(=O)COCCCCCCCCCCBr 34a_100009813290_100000183359 [0,1,0,0,0,0|3,0,0]=4 2996 B16R0.221 CNC(=O)COCCCCCCCCCCBr 7a_100009813290_100000183359 [0,1,0,0,0,0|3,0,0]=4 2997 B16R0.221 CNC(=O)COCCCCCCCCCCCl 34a_200000033068_100000183359 [0,1,0,0,0,0|3,0,0]=4 2998 B16R0.221 CNC(=O)COCCCCCCCCCCCl 7a_200000033068_100000183359 [0,1,0,0,0,0|3,0,0]=4 2999 B16R0.221 CNC(=O)COCCCCCCCCCCN 34a_100000066964_100000183359 [0,1,0,0,0,0|3,0,0]=4 3000 B16R0.221 CNC(=O)COCCCCCCCCCCO 34a_100000750040_100009813290 [0,1,0,0,0,0|3,0,0]=4 3001 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100000183359_200000033068 [0,1,0,0,0,0|3,0,0]=4 3002 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100009813290_100000183359 [0,1,0,0,0,0|3,0,0]=4 3003 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [0,1,0,0,0,0|1,0,0]=2 3004 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [0,1,0,0,0,0|1,0,0]=2 3005 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [0,1,0,0,0,0|1,0,0]=2 3006 B16R0.221 CNCCCCCOCCCCCC(=O)OC 34a_100000722520_100009816466 [0,1,0,0,0,0|2,0,0]=3 3007 B16R0.221 CNCCCOCCCCCCCC(=O)OC 34a_100000213112_100010004213 [0,1,0,0,0,0|2,0,0]=3 3008 B16R0.221 CNCCOCCOCCCCCC(=O)OC 34a_100000228057_100009816466 [0,1,0,0,0,0|3,0,0]=4 3009 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [0,1,0,0,0,0|1,0,0]=2 3010 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [0,1,0,0,0,0|1,0,0]=2 3011 B16R0.221 COC(=O)CCCCCCCCCCOCF 34a_100011003013_100015361967 [0,1,0,0,0,0|2,0,0]=3 3012 B16R0.221 COC(=O)CCCCCCCCCCOCF 7a_100011003013_100015361967 [0,1,0,0,0,0|2,0,0]=3 3013 B16R0.221 COC(=O)CCCCCCCCCCSCF 62a_100015361967_100009812566 [0,1,0,0,0,0|2,0,0]=3 3014 B16R0.221 COC(=O)CCCCCCCCCNCCF 34a_100000724931_100009813843 [0,1,0,0,0,0|2,0,0]=3 3015 B16R0.221 COC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009813843 [0,1,0,0,0,0|2,0,0]=3 3016 B16R0.221 COC(=O)CCCCCCCCCNCCO 34a_100016990907_100009813843 [0,1,0,0,0,0|2,0,0]=3 3017 B16R0.221 COC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009813843 [0,1,0,0,0,0|2,0,0]=3 3018 B16R0.221 COC(=O)CCCCCCCCCOCCN 34a_100000210304_100009813843 [0,1,0,0,0,0|2,0,0]=3 3019 B16R0.221 COC(=O)CCCCCCCCCSCC#N 62a_100011215382_100009813843 [0,1,0,0,0,0|2,0,1]=4 3020 B16R0.221 COC(=O)CCCCCCCCCSCC=O 62a_200015260668_100009813843 [0,1,0,0,0,0|2,0,1]=4 3021 B16R0.221 COC(=O)CCCCCCCCCSCCF 62a_100011217306_100009813843 [0,1,0,0,0,0|2,0,0]=3 3022 B16R0.221 COC(=O)CCCCCCCCCSCCO 62a_100000211926_100009813843 [0,1,0,0,0,0|2,0,0]=3 3023 B16R0.221 COC(=O)CCCCCCCCCSCSC 62a_100011218213_100009813843 [0,1,0,0,0,0|2,0,0]=3 3024 B16R0.221 COC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010282707 [0,1,0,0,0,0|2,0,0]=3 3025 B16R0.221 COC(=O)CCCCCCCCNCCCF 34a_100015189416_100010282707 [0,1,0,0,0,0|2,0,0]=3 3026 B16R0.221 COC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010282707 [0,1,0,0,0,0|2,0,0]=3 3027 B16R0.221 COC(=O)CCCCCCCCOCCC#N 7a_100000035544_100000184422 [0,1,0,0,0,0|2,0,1]=4 3028 B16R0.221 COC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010282707 [0,1,0,0,0,0|2,0,0]=3 3029 B16R0.221 COC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010282707 [0,1,0,0,0,0|2,0,0]=3 3030 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000035544_100011934791 [0,1,0,0,0,0|2,0,0]=3 3031 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000759539_100010282707 [0,1,0,0,0,0|2,0,0]=3 3032 B16R0.221 COC(=O)CCCCCCCCOCCCF 7a_100000035544_100011934791 [0,1,0,0,0,0|2,0,0]=3 3033 B16R0.221 COC(=O)CCCCCCCCOCCCN 34a_100000182051_100010282707 [0,1,0,0,0,0|2,0,0]=3 3034 B16R0.221 COC(=O)CCCCCCCCOCCCO 34a_100000035544_100000230001 [0,1,0,0,0,0|2,0,0]=3 3035 B16R0.221 COC(=O)CCCCCCCCOCCCO 7a_100000035544_100011215043 [0,1,0,0,0,0|2,0,0]=3 3036 B16R0.221 COC(=O)CCCCCCCCOCCON 34a_100000700252_100010282707 [0,1,0,0,0,0|3,0,0]=4 3037 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000035544_100000212216 [0,1,0,0,0,0|2,0,0]=3 3038 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000230434_100010282707 [0,1,0,0,0,0|2,0,0]=3 3039 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000035544_100000212216 [0,1,0,0,0,0|2,0,0]=3 3040 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000230434_100010282707 [0,1,0,0,0,0|2,0,0]=3 3041 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100010282707_100011215226 [0,1,0,0,0,0|2,0,1]=4 3042 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100011215226_100010282707 [0,1,0,0,0,0|2,0,1]=4 3043 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100010282707_100011934791 [0,1,0,0,0,0|2,0,0]=3 3044 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100011934791_100010282707 [0,1,0,0,0,0|2,0,0]=3 3045 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100010282707_100011215043 [0,1,0,0,0,0|2,0,0]=3 3046 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100011215043_100010282707 [0,1,0,0,0,0|2,0,0]=3 3047 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100000212216_100010282707 [0,1,0,0,0,0|2,0,0]=3 3048 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100010282707_100000751147 [0,1,0,0,0,0|2,0,0]=3 3049 B16R0.221 COC(=O)CCCCCCCNCCCCO 2230a_100000750430_100010004213 [0,1,0,0,0,0|2,0,0]=3 3050 B16R0.221 COC(=O)CCCCCCCNCCCCO 34a_100000750430_100010004213 [0,1,0,0,0,0|2,0,0]=3 3051 B16R0.221 COC(=O)CCCCCCCNCCCSC 2230a_100000749238_100010004213 [0,1,0,0,0,0|2,0,0]=3 3052 B16R0.221 COC(=O)CCCCCCCOCCCC#N 7a_100011022521_100000687738 [0,1,0,0,0,0|2,0,1]=4 3053 B16R0.221 COC(=O)CCCCCCCOCCCC=O 7a_100011022521_200011292268 [0,1,0,0,0,0|2,0,1]=4 3054 B16R0.221 COC(=O)CCCCCCCOCCCCBr 34a_100011216708_100010004213 [0,1,0,0,0,0|2,0,0]=3 3055 B16R0.221 COC(=O)CCCCCCCOCCCCCl 34a_100000210776_100010004213 [0,1,0,0,0,0|2,0,0]=3 3056 B16R0.221 COC(=O)CCCCCCCOCCCCCl 7a_100000210776_100010004213 [0,1,0,0,0,0|2,0,0]=3 3057 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011022521_100000729493 [0,1,0,0,0,0|2,0,0]=3 3058 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011995726_100010004213 [0,1,0,0,0,0|2,0,0]=3 3059 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011022521_100000729493 [0,1,0,0,0,0|2,0,0]=3 3060 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011995726_100010004213 [0,1,0,0,0,0|2,0,0]=3 3061 B16R0.221 COC(=O)CCCCCCCOCCCCI 34a_200012148704_100010004213 [0,1,0,0,0,0|2,0,0]=3 3062 B16R0.221 COC(=O)CCCCCCCOCCCCN 34a_100000750430_100010004213 [0,1,0,0,0,0|2,0,0]=3 3063 B16R0.221 COC(=O)CCCCCCCOCCCCO 34a_100011022521_100011216708 [0,1,0,0,0,0|2,0,0]=3 3064 B16R0.221 COC(=O)CCCCCCCOCCCCO 7a_100011022521_100000210776 [0,1,0,0,0,0|2,0,0]=3 3065 B16R0.221 COC(=O)CCCCCCCOCCCSC 34a_100000690336_100010004213 [0,1,0,0,0,0|2,0,0]=3 3066 B16R0.221 COC(=O)CCCCCCCOCCCSC 7a_100000690336_100010004213 [0,1,0,0,0,0|2,0,0]=3 3067 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100000687738_100010004213 [0,1,0,0,0,0|2,0,1]=4 3068 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100010004213_100000687738 [0,1,0,0,0,0|2,0,1]=4 3069 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_100010004213_200011292268 [0,1,0,0,0,0|2,0,1]=4 3070 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_200011292268_100010004213 [0,1,0,0,0,0|2,0,1]=4 3071 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100000729493_100010004213 [0,1,0,0,0,0|2,0,0]=3 3072 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100010004213_100000729493 [0,1,0,0,0,0|2,0,0]=3 3073 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100000210776_100010004213 [0,1,0,0,0,0|2,0,0]=3 3074 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100010004213_100000210776 [0,1,0,0,0,0|2,0,0]=3 3075 B16R0.221 COC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009815986 [0,1,0,0,0,0|2,0,0]=3 3076 B16R0.221 COC(=O)CCCCCCNCCCCCO 34a_100000762737_100009815986 [0,1,0,0,0,0|2,0,0]=3 3077 B16R0.221 COC(=O)CCCCCCNCCOCCO 2230a_100000211614_100009815986 [0,1,0,0,0,0|3,0,0]=4 3078 B16R0.221 COC(=O)CCCCCCNCCOCCO 34a_100000211614_100009815986 [0,1,0,0,0,0|3,0,0]=4 3079 B16R0.221 COC(=O)CCCCCCNCCSCCO 2230a_100011219999_100009815986 [0,1,0,0,0,0|3,0,0]=4 3080 B16R0.221 COC(=O)CCCCCCOCCCCC#N 7a_100009863599_100000211819 [0,1,0,0,0,0|2,0,1]=4 3081 B16R0.221 COC(=O)CCCCCCOCCCCC=O 7a_100009863599_100000139335 [0,1,0,0,0,0|2,0,1]=4 3082 B16R0.221 COC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009815986 [0,1,0,0,0,0|2,0,0]=3 3083 B16R0.221 COC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009815986 [0,1,0,0,0,0|2,0,0]=3 3084 B16R0.221 COC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009815986 [0,1,0,0,0,0|2,0,0]=3 3085 B16R0.221 COC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009815986 [0,1,0,0,0,0|2,0,0]=3 3086 B16R0.221 COC(=O)CCCCCCOCCCCCF 34a_100009863599_100000729378 [0,1,0,0,0,0|2,0,0]=3 3087 B16R0.221 COC(=O)CCCCCCOCCCCCF 7a_100009863599_100000729378 [0,1,0,0,0,0|2,0,0]=3 3088 B16R0.221 COC(=O)CCCCCCOCCCCCI 34a_200012148887_100009815986 [0,1,0,0,0,0|2,0,0]=3 3089 B16R0.221 COC(=O)CCCCCCOCCCCCI 7a_200012148887_100009815986 [0,1,0,0,0,0|2,0,0]=3 3090 B16R0.221 COC(=O)CCCCCCOCCCCCN 34a_100000762737_100009815986 [0,1,0,0,0,0|2,0,0]=3 3091 B16R0.221 COC(=O)CCCCCCOCCCCCO 34a_100009863599_100000746330 [0,1,0,0,0,0|2,0,0]=3 3092 B16R0.221 COC(=O)CCCCCCOCCCCCO 7a_100009863599_100000746330 [0,1,0,0,0,0|2,0,0]=3 3093 B16R0.221 COC(=O)CCCCCCOCCCCSC 34a_100011217163_100009815986 [0,1,0,0,0,0|2,0,0]=3 3094 B16R0.221 COC(=O)CCCCCCOCCCCSC 7a_100011217163_100009815986 [0,1,0,0,0,0|2,0,0]=3 3095 B16R0.221 COC(=O)CCCCCCOCCOCCBr 34a_100000692535_100009815986 [0,1,0,0,0,0|3,0,0]=4 3096 B16R0.221 COC(=O)CCCCCCOCCOCCBr 7a_100000692535_100009815986 [0,1,0,0,0,0|3,0,0]=4 3097 B16R0.221 COC(=O)CCCCCCOCCOCCCl 34a_100011215305_100009815986 [0,1,0,0,0,0|3,0,0]=4 3098 B16R0.221 COC(=O)CCCCCCOCCOCCCl 7a_100011215305_100009815986 [0,1,0,0,0,0|3,0,0]=4 3099 B16R0.221 COC(=O)CCCCCCOCCOCCF 34a_200015357709_100009815986 [0,1,0,0,0,0|3,0,0]=4 3100 B16R0.221 COC(=O)CCCCCCOCCOCCF 7a_200015357709_100009815986 [0,1,0,0,0,0|3,0,0]=4 3101 B16R0.221 COC(=O)CCCCCCOCCOCCI 34a_100012149058_100009815986 [0,1,0,0,0,0|3,0,0]=4 3102 B16R0.221 COC(=O)CCCCCCOCCOCCI 7a_100012149058_100009815986 [0,1,0,0,0,0|3,0,0]=4 3103 B16R0.221 COC(=O)CCCCCCOCCOCCN 34a_100000211614_100009815986 [0,1,0,0,0,0|3,0,0]=4 3104 B16R0.221 COC(=O)CCCCCCOCCOCCO 34a_100009863599_100000692535 [0,1,0,0,0,0|3,0,0]=4 3105 B16R0.221 COC(=O)CCCCCCOCCOCCO 7a_100009863599_100011215305 [0,1,0,0,0,0|3,0,0]=4 3106 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100009815986_100000211819 [0,1,0,0,0,0|2,0,1]=4 3107 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100011219923_100009815986 [0,1,0,0,0,0|2,0,1]=4 3108 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100000139335_100009815986 [0,1,0,0,0,0|2,0,1]=4 3109 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100009815986_100000139335 [0,1,0,0,0,0|2,0,1]=4 3110 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100000729378_100009815986 [0,1,0,0,0,0|2,0,0]=3 3111 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100009815986_100000729378 [0,1,0,0,0,0|2,0,0]=3 3112 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100000746330_100009815986 [0,1,0,0,0,0|2,0,0]=3 3113 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100009815986_100000746330 [0,1,0,0,0,0|2,0,0]=3 3114 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100009815986_100011215305 [0,1,0,0,0,0|3,0,0]=4 3115 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100011215305_100009815986 [0,1,0,0,0,0|3,0,0]=4 3116 B16R0.221 COC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009816466 [0,1,0,0,0,0|2,0,0]=3 3117 B16R0.221 COC(=O)CCCCCNCCCCCCO 34a_100000686447_100009816466 [0,1,0,0,0,0|2,0,0]=3 3118 B16R0.221 COC(=O)CCCCCOCCCCCC#N 7a_100000074720_100009813376 [0,1,0,0,0,0|2,0,1]=4 3119 B16R0.221 COC(=O)CCCCCOCCCCCC=O 7a_100000074720_100000139337 [0,1,0,0,0,0|2,0,1]=4 3120 B16R0.221 COC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009816466 [0,1,0,0,0,0|2,0,0]=3 3121 B16R0.221 COC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009816466 [0,1,0,0,0,0|2,0,0]=3 3122 B16R0.221 COC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009816466 [0,1,0,0,0,0|2,0,0]=3 3123 B16R0.221 COC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009816466 [0,1,0,0,0,0|2,0,0]=3 3124 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000074720_100015922095 [0,1,0,0,0,0|2,0,0]=3 3125 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000732779_100009816466 [0,1,0,0,0,0|2,0,0]=3 3126 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000074720_100015922095 [0,1,0,0,0,0|2,0,0]=3 3127 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000732779_100009816466 [0,1,0,0,0,0|2,0,0]=3 3128 B16R0.221 COC(=O)CCCCCOCCCCCCN 34a_100000686447_100009816466 [0,1,0,0,0,0|2,0,0]=3 3129 B16R0.221 COC(=O)CCCCCOCCCCCCO 34a_100000074720_100000766143 [0,1,0,0,0,0|2,0,0]=3 3130 B16R0.221 COC(=O)CCCCCOCCCCCCO 7a_100000074720_100000766143 [0,1,0,0,0,0|2,0,0]=3 3131 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009813376_100009816466 [0,1,0,0,0,0|2,0,1]=4 3132 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009816466_100009813376 [0,1,0,0,0,0|2,0,1]=4 3133 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009816466 [0,1,0,0,0,0|2,0,1]=4 3134 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100009816466_100000139337 [0,1,0,0,0,0|2,0,1]=4 3135 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100009816466_100015922095 [0,1,0,0,0,0|2,0,0]=3 3136 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100015922095_100009816466 [0,1,0,0,0,0|2,0,0]=3 3137 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100000766143_100009816466 [0,1,0,0,0,0|2,0,0]=3 3138 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100009816466_100000766143 [0,1,0,0,0,0|2,0,0]=3 3139 B16R0.221 COC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000204269 [0,1,0,0,0,0|2,0,0]=3 3140 B16R0.221 COC(=O)CCCCNCCCCCCCO 34a_100011996573_100000204269 [0,1,0,0,0,0|2,0,0]=3 3141 B16R0.221 COC(=O)CCCCNCCCOCCCO 2230a_100011310245_100000204269 [0,1,0,0,0,0|3,0,0]=4 3142 B16R0.221 COC(=O)CCCCNCCCOCCCO 34a_100011310245_100000204269 [0,1,0,0,0,0|3,0,0]=4 3143 B16R0.221 COC(=O)CCCCOCCCCCCC#N 7a_100000059025_100009813337 [0,1,0,0,0,0|2,0,1]=4 3144 B16R0.221 COC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000204269 [0,1,0,0,0,0|2,0,0]=3 3145 B16R0.221 COC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000204269 [0,1,0,0,0,0|2,0,0]=3 3146 B16R0.221 COC(=O)CCCCOCCCCCCCN 34a_100011996573_100000204269 [0,1,0,0,0,0|2,0,0]=3 3147 B16R0.221 COC(=O)CCCCOCCCCCCCO 34a_100000059025_100000760002 [0,1,0,0,0,0|2,0,0]=3 3148 B16R0.221 COC(=O)CCCCOCCCCCCCO 7a_100000059025_100000760002 [0,1,0,0,0,0|2,0,0]=3 3149 B16R0.221 COC(=O)CCCCOCCCOCCCN 34a_100011310245_100000204269 [0,1,0,0,0,0|3,0,0]=4 3150 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100000204269_100009813337 [0,1,0,0,0,0|2,0,1]=4 3151 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000204269 [0,1,0,0,0,0|2,0,1]=4 3152 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000204269_100000760002 [0,1,0,0,0,0|2,0,0]=3 3153 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000760002_100000204269 [0,1,0,0,0,0|2,0,0]=3 3154 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [0,1,0,0,0,0|2,0,0]=3 3155 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [0,1,0,0,0,0|2,0,0]=3 3156 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [0,1,0,0,0,0|2,0,0]=3 3157 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [0,1,0,0,0,0|2,0,0]=3 3158 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [0,1,0,0,0,0|2,0,0]=3 3159 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [0,1,0,0,0,0|2,0,0]=3 3160 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [0,1,0,0,0,0|2,0,0]=3 3161 B16R0.221 COC(=O)CCCOCCCCCNCCN 34a_103619048469_100000742333 [0,1,0,0,0,0|3,0,0]=4 3162 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [0,1,0,0,0,0|2,0,0]=3 3163 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [0,1,0,0,0,0|2,0,0]=3 3164 B16R0.221 COC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000204255 [0,1,0,0,0,0|2,0,0]=3 3165 B16R0.221 COC(=O)CCNCCCCCCCCCO 34a_100000078944_100000742370 [0,1,0,0,0,0|2,0,0]=3 3166 B16R0.221 COC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000742370 [0,1,0,0,0,0|2,0,0]=3 3167 B16R0.221 COC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000204255 [0,1,0,0,0,0|2,0,0]=3 3168 B16R0.221 COC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000742370 [0,1,0,0,0,0|2,0,0]=3 3169 B16R0.221 COC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000204255 [0,1,0,0,0,0|2,0,0]=3 3170 B16R0.221 COC(=O)CCOCCCCCCCCCN 34a_100000078944_100000742370 [0,1,0,0,0,0|2,0,0]=3 3171 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100000204255_100009813782 [0,1,0,0,0,0|2,0,0]=3 3172 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100009813782_100000204255 [0,1,0,0,0,0|2,0,0]=3 3173 B16R0.221 COC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747449 [0,1,0,0,0,0|2,0,0]=3 3174 B16R0.221 COC(=O)CNCCCCCCCCCCO 34a_100000066964_100000747449 [0,1,0,0,0,0|2,0,0]=3 3175 B16R0.221 COC(=O)COCCCCCCCCCCBr 34a_100009813290_100000747449 [0,1,0,0,0,0|2,0,0]=3 3176 B16R0.221 COC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747449 [0,1,0,0,0,0|2,0,0]=3 3177 B16R0.221 COC(=O)COCCCCCCCCCCCl 34a_200000033068_100000747449 [0,1,0,0,0,0|2,0,0]=3 3178 B16R0.221 COC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747449 [0,1,0,0,0,0|2,0,0]=3 3179 B16R0.221 COC(=O)COCCCCCCCCCCN 34a_100000066964_100000747449 [0,1,0,0,0,0|2,0,0]=3 3180 B16R0.221 COC(=O)COCCNCCCCCCCO 2230a_100011996573_100000090808 [0,1,0,0,0,0|3,0,0]=4 3181 B16R0.221 COC(=O)COCCNCCCCCCCO 34a_100011996573_100000090808 [0,1,0,0,0,0|3,0,0]=4 3182 B16R0.221 COC(=O)COCCOCCCCCCCBr 34a_100000760002_100000090808 [0,1,0,0,0,0|3,0,0]=4 3183 B16R0.221 COC(=O)COCCOCCCCCCCBr 7a_100000760002_100000090808 [0,1,0,0,0,0|3,0,0]=4 3184 B16R0.221 COC(=O)COCCOCCCCCCCN 34a_100011996573_100000090808 [0,1,0,0,0,0|3,0,0]=4 3185 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000090808_100000760002 [0,1,0,0,0,0|3,0,0]=4 3186 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000760002_100000090808 [0,1,0,0,0,0|3,0,0]=4 3187 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100000747449_200000033068 [0,1,0,0,0,0|2,0,0]=3 3188 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747449 [0,1,0,0,0,0|2,0,0]=3 3189 B16R0.221 COC(=O)NCCOCCCCCCCCO 34a_100000757965_100000033203 [0,1,0,0,0,0|3,0,0]=4 3190 B16R0.221 COC(=O)OCCOCCCCCCCCO 34a_100010262106_100000033203 [0,1,0,0,0,0|3,0,0]=4 3191 B16R0.221 COC(=O)OCSCCCCCCCCCO 62a_100009813782_100000139417 [0,1,0,0,0,0|3,0,0]=4 3192 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [0,1,0,0,0,0|1,0,0]=2 3193 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_100000059025_100011998445 [0,1,0,0,0,0|2,0,0]=3 3194 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_200012092642_100000204269 [0,1,0,0,0,0|2,0,0]=3 3195 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_100000059025_100011998445 [0,1,0,0,0,0|2,0,0]=3 3196 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_200012092642_100000204269 [0,1,0,0,0,0|2,0,0]=3 3197 B16R0.221 COCCCCCCOCCOCC(=O)OC 34a_200012092642_100000090808 [0,1,0,0,0,0|3,0,0]=4 3198 B16R0.221 COCCCCCCOCCOCC(=O)OC 7a_200012092642_100000090808 [0,1,0,0,0,0|3,0,0]=4 3199 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100000204269_100011998445 [0,1,0,0,0,0|2,0,0]=3 3200 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100011998445_100000204269 [0,1,0,0,0,0|2,0,0]=3 3201 B16R0.221 COCCCCCCSCCOCC(=O)OC 62a_100000090808_100011998445 [0,1,0,0,0,0|3,0,0]=4 3202 B16R0.221 COCCCCCCSCCOCC(=O)OC 62a_100011998445_100000090808 [0,1,0,0,0,0|3,0,0]=4 3203 B16R0.221 COCCCCCNCCCCCC(=O)OC 2230a_100000747528_100009816466 [0,1,0,0,0,0|2,0,0]=3 3204 B16R0.221 COCCCCCNCCCCCC(=O)OC 34a_100000747528_100009816466 [0,1,0,0,0,0|2,0,0]=3 3205 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100000740925_100009815986 [0,1,0,0,0,0|2,0,0]=3 3206 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100009863599_100000755781 [0,1,0,0,0,0|2,0,0]=3 3207 B16R0.221 COCCCCOCCCCCCC(=O)OC 7a_100009863599_100000730899 [0,1,0,0,0,0|2,0,0]=3 3208 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100000730899_100009815986 [0,1,0,0,0,0|2,0,0]=3 3209 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100009815986_100000730899 [0,1,0,0,0,0|2,0,0]=3 3210 B16R0.221 COCCCNCCCCCCCC(=O)OC 34a_100150723488_100010004213 [0,1,0,0,0,0|2,0,0]=3 3211 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100000740835_100010004213 [0,1,0,0,0,0|2,0,0]=3 3212 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100011022521_100000740836 [0,1,0,0,0,0|2,0,0]=3 3213 B16R0.221 COCCCOCCCCCCCC(=O)OC 7a_100011022521_100000740836 [0,1,0,0,0,0|2,0,0]=3 3214 B16R0.221 COCCCOCCCOCCCC(=O)OC 34a_200011215475_100000742333 [0,1,0,0,0,0|3,0,0]=4 3215 B16R0.221 COCCCOCCCOCCCC(=O)OC 7a_200011215475_100011218270 [0,1,0,0,0,0|3,0,0]=4 3216 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100000709357_100010004213 [0,1,0,0,0,0|2,0,0]=3 3217 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100010004213_100000709357 [0,1,0,0,0,0|2,0,0]=3 3218 B16R0.221 COCCNCCCCCCCCC(=O)OC 2230a_100000209980_100010282707 [0,1,0,0,0,0|2,0,0]=3 3219 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000035544_100011201679 [0,1,0,0,0,0|2,0,0]=3 3220 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000210237_100010282707 [0,1,0,0,0,0|2,0,0]=3 3221 B16R0.221 COCCOCCCCCCCCC(=O)OC 7a_100000035544_100000233755 [0,1,0,0,0,0|2,0,0]=3 3222 B16R0.221 COCCOCCCNCCCCC(=O)OC 2230a_100000206027_100000204269 [0,1,0,0,0,0|3,0,0]=4 3223 B16R0.221 COCCOCCCNCCCCC(=O)OC 34a_100000206027_100000204269 [0,1,0,0,0,0|3,0,0]=4 3224 B16R0.221 COCCOCCCOCCCCC(=O)OC 34a_100000059025_100011216529 [0,1,0,0,0,0|3,0,0]=4 3225 B16R0.221 COCCOCCCOCCCCC(=O)OC 7a_100000059025_100011216529 [0,1,0,0,0,0|3,0,0]=4 3226 B16R0.221 COCCOCCCSCCCCC(=O)OC 62a_100000204269_100011216529 [0,1,0,0,0,0|3,0,0]=4 3227 B16R0.221 COCCOCCCSCCCCC(=O)OC 62a_100011216529_100000204269 [0,1,0,0,0,0|3,0,0]=4 3228 B16R0.221 COCCOCCNCCCCCC(=O)OC 2230a_100000745349_100009816466 [0,1,0,0,0,0|3,0,0]=4 3229 B16R0.221 COCCOCCNCCCCCC(=O)OC 34a_100000745349_100009816466 [0,1,0,0,0,0|3,0,0]=4 3230 B16R0.221 COCCOCCOCCCCCC(=O)OC 34a_100000074720_100000695917 [0,1,0,0,0,0|3,0,0]=4 3231 B16R0.221 COCCOCCOCCCCCC(=O)OC 34a_100011215163_100009816466 [0,1,0,0,0,0|3,0,0]=4 3232 B16R0.221 COCCOCCOCCCCCC(=O)OC 7a_100000074720_100000695917 [0,1,0,0,0,0|3,0,0]=4 3233 B16R0.221 COCCOCCOCCCCCC(=O)OC 7a_100011215163_100009816466 [0,1,0,0,0,0|3,0,0]=4 3234 B16R0.221 COCCOCCSCCCCCC(=O)OC 62a_100000695917_100009816466 [0,1,0,0,0,0|3,0,0]=4 3235 B16R0.221 COCCOCCSCCCCCC(=O)OC 62a_100009816466_100000695917 [0,1,0,0,0,0|3,0,0]=4 3236 B16R0.221 COCCOCSCCCCCCC(=O)OC 62a_100000231047_100009815986 [0,1,0,0,0,0|3,0,0]=4 3237 B16R0.221 COCCOCSCCCCCCC(=O)OC 62a_100009815986_100000231047 [0,1,0,0,0,0|3,0,0]=4 3238 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100000233755_100010282707 [0,1,0,0,0,0|2,0,0]=3 3239 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100010282707_100000233755 [0,1,0,0,0,0|2,0,0]=3 3240 B16R0.221 COCSCCCCCCCCCC(=O)OC 62a_100000766300_100009813843 [0,1,0,0,0,0|2,0,0]=3 3241 B16R0.221 NC(=NO)CCOCCCCCCCCCO 34a_100000749954_100009813782 [0,1,0,0,0,0|3,0,0]=4 3242 B16R0.221 NNC(=O)CCCOCCCCCCCCO 34a_100000211488_100000033203 [0,1,0,0,0,0|3,0,0]=4 3243 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [0,1,0,0,0,0|1,0,0]=2 3244 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [0,1,0,0,0,0|2,0,0]=3 3245 B16R0.224 C=CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814027 [0,1,0,0,0,0|1,0,2]=4 3246 B16R0.224 C=CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011933949 [0,1,0,0,0,0|1,0,2]=4 3247 B16R0.224 C=CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011933949 [0,1,0,0,0,0|1,0,2]=4 3248 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 34a_100000032740_100009813782 [0,1,0,0,0,0|3,0,0]=4 3249 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 7a_100000032740_100009813782 [0,1,0,0,0,0|3,0,0]=4 3250 B16R0.224 CC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100009814033 [0,1,0,0,0,0|3,0,0]=4 3251 B16R0.224 CC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000179758 [0,1,0,0,0,0|3,0,0]=4 3252 B16R0.224 CC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000179758 [0,1,0,0,0,0|3,0,0]=4 3253 B16R0.224 CC(=O)C(C)OCCCCCCCCCCO 34a_100000212229_100009813290 [0,1,0,0,0,0|3,0,0]=4 3254 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100009814033 [0,1,0,0,0,0|3,0,0]=4 3255 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009814033_200000033068 [0,1,0,0,0,0|3,0,0]=4 3256 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [0,1,0,0,0,0|2,0,0]=3 3257 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 2230a_100000066964_100000702099 [0,1,0,0,0,0|3,0,0]=4 3258 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 34a_100000066964_100000702099 [0,1,0,0,0,0|3,0,0]=4 3259 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 34a_100009813290_100000702099 [0,1,0,0,0,0|3,0,0]=4 3260 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 7a_100009813290_100000702099 [0,1,0,0,0,0|3,0,0]=4 3261 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 34a_200000033068_100000702099 [0,1,0,0,0,0|3,0,0]=4 3262 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 7a_200000033068_100000702099 [0,1,0,0,0,0|3,0,0]=4 3263 B16R0.224 CC(OCCCCCCCCCCN)C(=O)N 34a_100000066964_100000702099 [0,1,0,0,0,0|3,0,0]=4 3264 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100000702099_200000033068 [0,1,0,0,0,0|3,0,0]=4 3265 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100009813290_100000702099 [0,1,0,0,0,0|3,0,0]=4 3266 B16R0.224 CCC#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_200000036426 [0,1,0,0,0,0|1,0,2]=4 3267 B16R0.224 CCC#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_200000036426 [0,1,0,0,0,0|1,0,2]=4 3268 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [0,1,0,0,0,0|0,0,3]=4 3269 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [0,1,0,0,0,0|1,0,2]=4 3270 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [0,1,0,0,0,0|1,0,2]=4 3271 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [0,1,0,0,0,0|2,0,0]=3 3272 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [0,1,0,0,0,0|2,0,0]=3 3273 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [0,1,0,0,0,0|2,0,0]=3 3274 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [0,1,0,0,0,0|2,0,0]=3 3275 B16R0.224 CCCCCCCCCCCNC(=O)C(=O)N 240690a_200011215754_100011215815 [0,1,0,0,0,0|2,0,1]=4 3276 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [0,1,0,0,0,0|2,0,0]=3 3277 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [0,1,0,0,0,0|2,0,0]=3 3278 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [0,1,0,0,0,0|2,0,0]=3 3279 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [0,1,0,0,0,0|2,0,0]=3 3280 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [0,1,0,0,0,0|2,0,0]=3 3281 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [0,1,0,0,0,0|1,0,1]=3 3282 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,1,0,0,0,0|1,0,0]=2 3283 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [0,1,0,0,0,0|2,0,0]=3 3284 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [0,1,0,0,0,0|2,0,0]=3 3285 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [0,1,0,0,0,0|2,0,0]=3 3286 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [0,1,0,0,0,0|2,0,0]=3 3287 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [0,1,0,0,0,0|2,0,0]=3 3288 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [0,1,0,0,0,0|2,0,0]=3 3289 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [0,1,0,0,0,0|2,0,0]=3 3290 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [0,1,0,0,0,0|2,0,0]=3 3291 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [0,1,0,0,0,0|1,0,1]=3 3292 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [0,1,0,0,0,0|1,0,1]=3 3293 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [0,1,0,0,0,0|2,0,0]=3 3294 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [0,1,0,0,0,0|2,0,0]=3 3295 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [0,1,0,0,0,0|2,0,0]=3 3296 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [0,1,0,0,0,0|2,0,0]=3 3297 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [0,1,0,0,0,0|1,0,1]=3 3298 B16R0.224 CCCCCCCCCCNCC(=O)C(=O)C 34a_100000684558_100011261029 [0,1,0,0,0,0|2,0,1]=4 3299 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,1,0,0,0,0|1,0,0]=2 3300 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,1,0,0,0,0|1,0,0]=2 3301 B16R0.224 CCCCCCCCCCOCC(=O)C(=O)C 34a_100000210711_100011261029 [0,1,0,0,0,0|2,0,1]=4 3302 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [0,1,0,0,0,0|2,0,0]=3 3303 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [0,1,0,0,0,0|2,0,0]=3 3304 B16R0.224 CCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210320 [0,1,0,0,0,0|2,0,1]=4 3305 B16R0.224 CCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210320 [0,1,0,0,0,0|2,0,1]=4 3306 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [0,1,0,0,0,0|2,0,0]=3 3307 B16R0.224 CCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210320 [0,1,0,0,0,0|2,0,1]=4 3308 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813290 [0,1,0,0,0,0|3,0,0]=4 3309 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813290 [0,1,0,0,0,0|3,0,0]=4 3310 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813290 [0,1,0,0,0,0|3,0,0]=4 3311 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813290 [0,1,0,0,0,0|3,0,0]=4 3312 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [0,1,0,0,0,0|2,0,0]=3 3313 B16R0.224 C[C@H](OCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813290 [0,1,0,0,0,0|2,0,1]=4 3314 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 2230a_100000066964_100009813875 [0,1,0,0,0,0|3,0,0]=4 3315 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 34a_100000066964_100009813875 [0,1,0,0,0,0|3,0,0]=4 3316 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 34a_100009813290_100009813875 [0,1,0,0,0,0|3,0,0]=4 3317 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 7a_100009813290_100009813875 [0,1,0,0,0,0|3,0,0]=4 3318 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 34a_200000033068_100009813875 [0,1,0,0,0,0|3,0,0]=4 3319 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 7a_200000033068_100009813875 [0,1,0,0,0,0|3,0,0]=4 3320 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813290_100009813875 [0,1,0,0,0,0|3,0,0]=4 3321 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813875_200000033068 [0,1,0,0,0,0|3,0,0]=4 3322 B16R0.224 NC(=O)[C@@H](N)COCCCCCCCCCO 34a_100000729942_100009813782 [0,1,0,0,0,0|3,0,0]=4 3323 B16R0.224 NCCCCCCCCCCOC(F)C(=O)N 34a_100000066964_100009813875 [0,1,0,0,0,0|3,0,0]=4 3324 B16R0.224 NCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066964_100020610796 [0,1,0,0,0,0|2,0,1]=4 3325 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [0,1,0,0,0,0|2,0,0]=3 3326 B16R0.224 O=C([O-])C(F)NCCCCCCCCCCO 34a_100000066964_100020610796 [0,1,0,0,0,0|2,0,1]=4 3327 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCBr 34a_100009813290_100020610796 [0,1,0,0,0,0|2,0,1]=4 3328 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCCl 34a_200000033068_100020610796 [0,1,0,0,0,0|2,0,1]=4 3329 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100009813290_100020610796 [0,1,0,0,0,0|2,0,1]=4 3330 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100020610796_200000033068 [0,1,0,0,0,0|2,0,1]=4 3331 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 34a_100000054667_100000187820 [0,1,0,0,0,0|1,0,2]=4 3332 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 7a_100000054667_100000187820 [0,1,0,0,0,0|1,0,2]=4 3333 B16R0.274 C#CCCCCCCCCCCOCC(=O)[O-] 34a_100000054667_100020667443 [0,1,0,0,0,0|0,0,3]=4 3334 B16R0.274 C#CCCCCCCCCCOCCC(=O)C 7a_100000034437_100000053229 [0,1,0,0,0,0|1,0,2]=4 3335 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 34a_100000034437_100000731001 [0,1,0,0,0,0|1,0,2]=4 3336 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 7a_100000034437_100000744528 [0,1,0,0,0,0|1,0,2]=4 3337 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 34a_100000065265_100000685027 [0,1,0,0,0,0|1,0,2]=4 3338 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 7a_100000065265_100011215641 [0,1,0,0,0,0|1,0,2]=4 3339 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 34a_100000065265_100102525003 [0,1,0,0,0,0|1,0,2]=4 3340 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 7a_100000065265_100102525003 [0,1,0,0,0,0|1,0,2]=4 3341 B16R0.274 C#CCCCCCCCNCCCCC(=O)N 34a_100000696515_100153394163 [0,1,0,0,0,0|1,0,2]=4 3342 B16R0.274 C#CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100153394163 [0,1,0,0,0,0|1,0,2]=4 3343 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 34a_100000054614_100009817362 [0,1,0,0,0,0|1,0,2]=4 3344 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 7a_100000054614_100000735457 [0,1,0,0,0,0|1,0,2]=4 3345 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 34a_100012022536_100153394163 [0,1,0,0,0,0|1,0,2]=4 3346 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 7a_100012022536_100153394163 [0,1,0,0,0,0|1,0,2]=4 3347 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100000735457_100153394163 [0,1,0,0,0,0|1,0,2]=4 3348 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100153394163_100000735457 [0,1,0,0,0,0|1,0,2]=4 3349 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100000123541_100012276617 [0,1,0,0,0,0|1,0,2]=4 3350 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100011217361_100009817443 [0,1,0,0,0,0|1,0,2]=4 3351 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100012276617 [0,1,0,0,0,0|1,0,2]=4 3352 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100011217361_100009817443 [0,1,0,0,0,0|1,0,2]=4 3353 B16R0.274 C#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012276617 [0,1,0,0,0,0|0,0,3]=4 3354 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100012276617 [0,1,0,0,0,0|1,0,2]=4 3355 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100012276617_100009817443 [0,1,0,0,0,0|1,0,2]=4 3356 B16R0.274 C#CCNCCCCCCCCCCC(=O)N 34a_100000212058_200010167045 [0,1,0,0,0,0|1,0,2]=4 3357 B16R0.274 C#CCOCCCCCCCCCCC(=O)N 34a_100000210247_200010167045 [0,1,0,0,0,0|1,0,2]=4 3358 B16R0.274 C#CCSCCCCCCCCCCC(=O)N 62a_100000038162_200010167045 [0,1,0,0,0,0|1,0,2]=4 3359 B16R0.274 C=C(Br)CCOCCCCCCCCCCO 34a_100009813270_100009813290 [0,1,0,0,0,0|3,0,0]=4 3360 B16R0.274 C=C(C)CCNCCCCCCCCCCO 2230a_100000066964_100000730704 [0,1,0,0,0,0|3,0,0]=4 3361 B16R0.274 C=C(C)CCNCCCCCCCCCCO 34a_100000066964_100000730704 [0,1,0,0,0,0|3,0,0]=4 3362 B16R0.274 C=C(C)CCOCCCCCCCCCCN 34a_100000066964_100000730704 [0,1,0,0,0,0|3,0,0]=4 3363 B16R0.274 C=C(C)CCOCCCCCCCCCCO 34a_100000764851_100009813290 [0,1,0,0,0,0|3,0,0]=4 3364 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100000730704_200000033068 [0,1,0,0,0,0|3,0,0]=4 3365 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100009813290_100000730704 [0,1,0,0,0,0|3,0,0]=4 3366 B16R0.274 C=C(C)COCCCCCCCCCCCO 34a_100000210245_100009812471 [0,1,0,0,0,0|3,0,0]=4 3367 B16R0.274 C=C(C)COCCCCCCCCCOCC 34a_100009875440_100000748629 [0,1,0,0,0,0|3,0,0]=4 3368 B16R0.274 C=C(C)COCCCCCCCCCOCC 7a_100009875440_100000748629 [0,1,0,0,0,0|3,0,0]=4 3369 B16R0.274 C=C(C)CSCCCCCCCCCCCO 62a_100009812471_100000211660 [0,1,0,0,0,0|3,0,0]=4 3370 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [0,1,0,0,0,0|2,0,0]=3 3371 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [0,1,0,0,0,0|2,0,0]=3 3372 B16R0.274 C=C(F)COCCCCCCCCCCCO 34a_200010262243_100009812471 [0,1,0,0,0,0|3,0,0]=4 3373 B16R0.274 C=C(F)COCCCCCCCCCOCC 34a_100009875440_100009893438 [0,1,0,0,0,0|3,0,0]=4 3374 B16R0.274 C=C(F)COCCCCCCCCCOCC 7a_100009875440_100000042424 [0,1,0,0,0,0|3,0,0]=4 3375 B16R0.274 C=C(F)CSCCCCCCCCCCCO 62a_100009812471_100000042424 [0,1,0,0,0,0|3,0,0]=4 3376 B16R0.274 C=CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011093070 [0,1,0,0,0,0|1,0,2]=4 3377 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [0,1,0,0,0,0|0,0,2]=3 3378 B16R0.274 C=CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011093070 [0,1,0,0,0,0|1,0,2]=4 3379 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011093070 [0,1,0,0,0,0|1,0,2]=4 3380 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100011093070_100000747473 [0,1,0,0,0,0|1,0,2]=4 3381 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100011093070_100020667443 [0,1,0,0,0,0|0,0,3]=4 3382 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011093070 [0,1,0,0,0,0|0,0,3]=4 3383 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 2230a_100000081888_100000744528 [0,1,0,0,0,0|1,0,2]=4 3384 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 34a_100000081888_100000731001 [0,1,0,0,0,0|1,0,2]=4 3385 B16R0.274 C=CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100009814027 [0,1,0,0,0,0|1,0,2]=4 3386 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [0,1,0,0,0,0|1,0,2]=4 3387 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [0,1,0,0,0,0|1,0,2]=4 3388 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [0,1,0,0,0,0|1,0,2]=4 3389 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000038209_100000731001 [0,1,0,0,0,0|1,0,2]=4 3390 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000757172_100009814027 [0,1,0,0,0,0|1,0,2]=4 3391 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000038209_100000744528 [0,1,0,0,0,0|1,0,2]=4 3392 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000757172_100009814027 [0,1,0,0,0,0|1,0,2]=4 3393 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100000744528_100009814027 [0,1,0,0,0,0|1,0,2]=4 3394 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100009814027_100000744528 [0,1,0,0,0,0|1,0,2]=4 3395 B16R0.274 C=CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011933949 [0,1,0,0,0,0|1,0,2]=4 3396 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011933949 [0,1,0,0,0,0|1,0,2]=4 3397 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100011215194_100000685027 [0,1,0,0,0,0|1,0,2]=4 3398 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100000759063_100011933949 [0,1,0,0,0,0|1,0,2]=4 3399 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100011215194_100011215641 [0,1,0,0,0,0|1,0,2]=4 3400 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 34a_100011215194_100102525003 [0,1,0,0,0,0|1,0,2]=4 3401 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 7a_100011215194_100102525003 [0,1,0,0,0,0|1,0,2]=4 3402 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100011933949_100102525003 [0,1,0,0,0,0|1,0,2]=4 3403 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100102525003_100011933949 [0,1,0,0,0,0|1,0,2]=4 3404 B16R0.274 C=CCCCCCCCNCCCCC(=O)N 34a_100000696515_100012355270 [0,1,0,0,0,0|1,0,2]=4 3405 B16R0.274 C=CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100012355270 [0,1,0,0,0,0|1,0,2]=4 3406 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 34a_100000730831_100009817362 [0,1,0,0,0,0|1,0,2]=4 3407 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 7a_100000730831_100000735457 [0,1,0,0,0,0|1,0,2]=4 3408 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 34a_100012022536_100012355270 [0,1,0,0,0,0|1,0,2]=4 3409 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 7a_100012022536_100012355270 [0,1,0,0,0,0|1,0,2]=4 3410 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_100000123541_100011215473 [0,1,0,0,0,0|1,0,2]=4 3411 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_200011216477_100009817443 [0,1,0,0,0,0|1,0,2]=4 3412 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_100000123541_100011215473 [0,1,0,0,0,0|1,0,2]=4 3413 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_200011216477_100009817443 [0,1,0,0,0,0|1,0,2]=4 3414 B16R0.274 C=CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215473 [0,1,0,0,0,0|0,0,3]=4 3415 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100009817443_100011215473 [0,1,0,0,0,0|1,0,2]=4 3416 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100011215473_100009817443 [0,1,0,0,0,0|1,0,2]=4 3417 B16R0.274 C=CCNCCCCCCCCCCC(=O)N 2230a_100020586998_200010167045 [0,1,0,0,0,0|1,0,2]=4 3418 B16R0.274 C=CCOCCCCCCCCCCC(=O)N 34a_200000210373_200010167045 [0,1,0,0,0,0|1,0,2]=4 3419 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_100000210623_200010167045 [0,1,0,0,0,0|1,0,2]=4 3420 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210623 [0,1,0,0,0,0|1,0,2]=4 3421 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,1,0,0,0,0|1,0,0]=2 3422 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,1,0,0,0,0|2,0,0]=3 3423 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,1,0,0,0,0|2,0,0]=3 3424 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,1,0,0,0,0|2,0,0]=3 3425 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,1,0,0,0,0|2,0,0]=3 3426 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,1,0,0,0,0|2,0,0]=3 3427 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,1,0,0,0,0|2,0,0]=3 3428 B16R0.274 CC(=O)CCCCOCCCCCNCCN 34a_103619048469_100009817362 [0,1,0,0,0,0|3,0,0]=4 3429 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,1,0,0,0,0|2,0,0]=3 3430 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,1,0,0,0,0|2,0,0]=3 3431 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,1,0,0,0,0|2,0,0]=3 3432 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,1,0,0,0,0|2,0,0]=3 3433 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,1,0,0,0,0|2,0,0]=3 3434 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,1,0,0,0,0|2,0,0]=3 3435 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,1,0,0,0,0|2,0,0]=3 3436 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,1,0,0,0,0|2,0,0]=3 3437 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,1,0,0,0,0|2,0,0]=3 3438 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,1,0,0,0,0|2,0,0]=3 3439 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,1,0,0,0,0|2,0,0]=3 3440 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,1,0,0,0,0|2,0,0]=3 3441 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,1,0,0,0,0|2,0,0]=3 3442 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,1,0,0,0,0|2,0,0]=3 3443 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,1,0,0,0,0|2,0,0]=3 3444 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,1,0,0,0,0|2,0,0]=3 3445 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,1,0,0,0,0|2,0,0]=3 3446 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,1,0,0,0,0|2,0,0]=3 3447 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [0,1,0,0,0,0|2,0,0]=3 3448 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [0,1,0,0,0,0|2,0,0]=3 3449 B16R0.274 CC(=O)NCCCCCCNCCCCCF 2230a_200011996284_100000729378 [0,1,0,0,0,0|3,0,0]=4 3450 B16R0.274 CC(=O)NCCCCCCNCCCCCF 34a_200011996284_100000729378 [0,1,0,0,0,0|3,0,0]=4 3451 B16R0.274 CC(=O)NCCCCCCNCCCCCO 2230a_200011996284_100000746330 [0,1,0,0,0,0|3,0,0]=4 3452 B16R0.274 CC(=O)NCCCCCCNCCCCCO 34a_200011996284_100000746330 [0,1,0,0,0,0|3,0,0]=4 3453 B16R0.274 CC(=O)NCCCCCNCCCCCCF 2230a_200012022750_100015922095 [0,1,0,0,0,0|3,0,0]=4 3454 B16R0.274 CC(=O)NCCCCCNCCCCCCF 34a_200012022750_100015922095 [0,1,0,0,0,0|3,0,0]=4 3455 B16R0.274 CC(=O)NCCCCCNCCCCCCO 2230a_200012022750_100000766143 [0,1,0,0,0,0|3,0,0]=4 3456 B16R0.274 CC(=O)NCCCCCNCCCCCCO 34a_200012022750_100000766143 [0,1,0,0,0,0|3,0,0]=4 3457 B16R0.274 CC(=O)NCCCCNCCCCCCCO 2230a_200011368371_100000760002 [0,1,0,0,0,0|3,0,0]=4 3458 B16R0.274 CC(=O)NCCCCNCCCCCCCO 34a_200011368371_100000760002 [0,1,0,0,0,0|3,0,0]=4 3459 B16R0.274 CC(=O)NCCCNCCCCCCCCO 34a_100000736810_100000033203 [0,1,0,0,0,0|3,0,0]=4 3460 B16R0.274 CC(=O)NCCCOCCCCCCCCO 34a_100000752032_100000033203 [0,1,0,0,0,0|3,0,0]=4 3461 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000078944_100000189650 [0,1,0,0,0,0|3,0,0]=4 3462 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000209853_100009813782 [0,1,0,0,0,0|3,0,0]=4 3463 B16R0.274 CC(=O)NCCOCCCCCCCCCBr 7a_100009813782_100000189650 [0,1,0,0,0,0|3,0,0]=4 3464 B16R0.274 CC(=O)NCCOCCCCCCCCCCl 7a_100009868337_100000189650 [0,1,0,0,0,0|3,0,0]=4 3465 B16R0.274 CC(=O)NCCOCCCCCCCCCO 34a_100000158858_100009813782 [0,1,0,0,0,0|3,0,0]=4 3466 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100000189650_100009813782 [0,1,0,0,0,0|3,0,0]=4 3467 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100009813782_100000189650 [0,1,0,0,0,0|3,0,0]=4 3468 B16R0.274 CC(=O)OCCCCCNCCCCCCO 2230a_100000686447_100009813381 [0,1,0,0,0,0|3,0,0]=4 3469 B16R0.274 CC(=O)OCCCCCNCCCCCCO 34a_100000686447_100000033007 [0,1,0,0,0,0|3,0,0]=4 3470 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 34a_100011215345_100000033007 [0,1,0,0,0,0|3,0,0]=4 3471 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 7a_100011215345_100000033007 [0,1,0,0,0,0|3,0,0]=4 3472 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 34a_100000766143_100000033007 [0,1,0,0,0,0|3,0,0]=4 3473 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 7a_100000766143_100000033007 [0,1,0,0,0,0|3,0,0]=4 3474 B16R0.274 CC(=O)OCCCCCOCCCCCCF 34a_100000732779_100000033007 [0,1,0,0,0,0|3,0,0]=4 3475 B16R0.274 CC(=O)OCCCCCOCCCCCCF 7a_100000732779_100000033007 [0,1,0,0,0,0|3,0,0]=4 3476 B16R0.274 CC(=O)OCCCCCOCCCCCCN 34a_100000686447_100000033007 [0,1,0,0,0,0|3,0,0]=4 3477 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100000033007_100015922095 [0,1,0,0,0,0|3,0,0]=4 3478 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100015922095_100000033007 [0,1,0,0,0,0|3,0,0]=4 3479 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000033007_100000766143 [0,1,0,0,0,0|3,0,0]=4 3480 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000766143_100000033007 [0,1,0,0,0,0|3,0,0]=4 3481 B16R0.274 CC(=O)OCCCCNCCCCCCCO 34a_100011996573_100000033659 [0,1,0,0,0,0|3,0,0]=4 3482 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 34a_100000760002_100000033659 [0,1,0,0,0,0|3,0,0]=4 3483 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 7a_100000760002_100000033659 [0,1,0,0,0,0|3,0,0]=4 3484 B16R0.274 CC(=O)OCCCCOCCCCCCCN 34a_100011996573_100000033659 [0,1,0,0,0,0|3,0,0]=4 3485 B16R0.274 CC(=O)OCCCCOCCCCCCCO 34a_100000073216_100000760002 [0,1,0,0,0,0|3,0,0]=4 3486 B16R0.274 CC(=O)OCCCCOCCCCCCCO 7a_100000073216_100000760002 [0,1,0,0,0,0|3,0,0]=4 3487 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000033659_100000760002 [0,1,0,0,0,0|3,0,0]=4 3488 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000760002_100000033659 [0,1,0,0,0,0|3,0,0]=4 3489 B16R0.274 CC(=O)OCCCNCCCCCCCCO 34a_102515433106_100000042594 [0,1,0,0,0,0|3,0,0]=4 3490 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 34a_100009813846_100000042594 [0,1,0,0,0,0|3,0,0]=4 3491 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 7a_100009813846_100000042594 [0,1,0,0,0,0|3,0,0]=4 3492 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 34a_100000033203_100000042594 [0,1,0,0,0,0|3,0,0]=4 3493 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 7a_100000033203_100000042594 [0,1,0,0,0,0|3,0,0]=4 3494 B16R0.274 CC(=O)OCCCOCCCCCCCCN 34a_102515433106_100000042594 [0,1,0,0,0,0|3,0,0]=4 3495 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000033203_100000042594 [0,1,0,0,0,0|3,0,0]=4 3496 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000042594_100000033203 [0,1,0,0,0,0|3,0,0]=4 3497 B16R0.274 CC(=O)OCCNCCCCCCCCCO 34a_100000078944_100009814007 [0,1,0,0,0,0|3,0,0]=4 3498 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009814007 [0,1,0,0,0,0|3,0,0]=4 3499 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009814007 [0,1,0,0,0,0|3,0,0]=4 3500 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009814007 [0,1,0,0,0,0|3,0,0]=4 3501 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009814007 [0,1,0,0,0,0|3,0,0]=4 3502 B16R0.274 CC(=O)OCCOCCCCCCCCCN 34a_100000078944_100009814007 [0,1,0,0,0,0|3,0,0]=4 3503 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009813782_100009814007 [0,1,0,0,0,0|3,0,0]=4 3504 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009814007_100009813782 [0,1,0,0,0,0|3,0,0]=4 3505 B16R0.274 CC(=O)OCNCCCCCCCCCCO 34a_100000066964_100009813279 [0,1,0,0,0,0|3,0,0]=4 3506 B16R0.274 CC(=O)OCOCCCCCCCCCCBr 34a_100009813290_100009813279 [0,1,0,0,0,0|3,0,0]=4 3507 B16R0.274 CC(=O)OCOCCCCCCCCCCCl 34a_200000033068_100009813279 [0,1,0,0,0,0|3,0,0]=4 3508 B16R0.274 CC(=O)OCOCCCCCCCCCCN 34a_100000066964_100009813279 [0,1,0,0,0,0|3,0,0]=4 3509 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100000076356_200000033068 [0,1,0,0,0,0|3,0,0]=4 3510 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000076356 [0,1,0,0,0,0|3,0,0]=4 3511 B16R0.274 CC(=O)SCCCCNCCCCCCCO 2230a_100011996573_200010402107 [0,1,0,0,0,0|3,0,0]=4 3512 B16R0.274 CC(=O)SCCCCNCCCCCCCO 34a_100011996573_200010402107 [0,1,0,0,0,0|3,0,0]=4 3513 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 34a_100000760002_200010402107 [0,1,0,0,0,0|3,0,0]=4 3514 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 7a_100000760002_200010402107 [0,1,0,0,0,0|3,0,0]=4 3515 B16R0.274 CC(=O)SCCCCOCCCCCCCN 34a_100011996573_200010402107 [0,1,0,0,0,0|3,0,0]=4 3516 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_100000760002_200010402107 [0,1,0,0,0,0|3,0,0]=4 3517 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_200010402107_100000760002 [0,1,0,0,0,0|3,0,0]=4 3518 B16R0.274 CC(=O)SCCCNCCCCCCCCO 2230a_102515433106_100000038929 [0,1,0,0,0,0|3,0,0]=4 3519 B16R0.274 CC(=O)SCCCNCCCCCCCCO 34a_102515433106_100000038929 [0,1,0,0,0,0|3,0,0]=4 3520 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 34a_100009813846_100000038929 [0,1,0,0,0,0|3,0,0]=4 3521 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 7a_100009813846_100000038929 [0,1,0,0,0,0|3,0,0]=4 3522 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 34a_100000033203_100000038929 [0,1,0,0,0,0|3,0,0]=4 3523 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 7a_100000033203_100000038929 [0,1,0,0,0,0|3,0,0]=4 3524 B16R0.274 CC(=O)SCCCOCCCCCCCCN 34a_102515433106_100000038929 [0,1,0,0,0,0|3,0,0]=4 3525 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000033203_100000038929 [0,1,0,0,0,0|3,0,0]=4 3526 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000038929_100000033203 [0,1,0,0,0,0|3,0,0]=4 3527 B16R0.274 CC(O)CCCNCCCCCCCCCO 2230a_100000078944_200000718107 [0,1,0,0,0,0|2,0,1]=4 3528 B16R0.274 CC(O)CCCNCCCCCCCCCO 34a_100000078944_200000718107 [0,1,0,0,0,0|2,0,1]=4 3529 B16R0.274 CC(O)CCCOCCCCCCCCCBr 34a_100009813782_200000718107 [0,1,0,0,0,0|2,0,1]=4 3530 B16R0.274 CC(O)CCCOCCCCCCCCCBr 7a_100009813782_200000718107 [0,1,0,0,0,0|2,0,1]=4 3531 B16R0.274 CC(O)CCCOCCCCCCCCCCl 34a_100009868337_200000718107 [0,1,0,0,0,0|2,0,1]=4 3532 B16R0.274 CC(O)CCCOCCCCCCCCCCl 7a_100009868337_200000718107 [0,1,0,0,0,0|2,0,1]=4 3533 B16R0.274 CC(O)CCCOCCCCCCCCCN 34a_100000078944_200000718107 [0,1,0,0,0,0|2,0,1]=4 3534 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_100009813782_200000718107 [0,1,0,0,0,0|2,0,1]=4 3535 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_200000718107_100009813782 [0,1,0,0,0,0|2,0,1]=4 3536 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_100000066964_100012276601 [0,1,0,0,0,0|2,0,1]=4 3537 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_200000755665_100009813290 [0,1,0,0,0,0|2,0,1]=4 3538 B16R0.274 CC(O)CCNCCCCCCCCCCO 34a_100000066964_100012276601 [0,1,0,0,0,0|2,0,1]=4 3539 B16R0.274 CC(O)CCOCCCCCCCCCCBr 34a_100009813290_100012276601 [0,1,0,0,0,0|2,0,1]=4 3540 B16R0.274 CC(O)CCOCCCCCCCCCCBr 7a_100009813290_100012276601 [0,1,0,0,0,0|2,0,1]=4 3541 B16R0.274 CC(O)CCOCCCCCCCCCCCl 34a_200000033068_100012276601 [0,1,0,0,0,0|2,0,1]=4 3542 B16R0.274 CC(O)CCOCCCCCCCCCCCl 7a_200000033068_100012276601 [0,1,0,0,0,0|2,0,1]=4 3543 B16R0.274 CC(O)CCOCCCCCCCCCCN 34a_100000066964_100012276601 [0,1,0,0,0,0|2,0,1]=4 3544 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100009813290_100012276601 [0,1,0,0,0,0|2,0,1]=4 3545 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100012276601_200000033068 [0,1,0,0,0,0|2,0,1]=4 3546 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [0,1,0,0,0,0|2,0,1]=4 3547 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [0,1,0,0,0,0|2,0,1]=4 3548 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [0,1,0,0,0,0|2,0,1]=4 3549 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [0,1,0,0,0,0|2,0,1]=4 3550 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [0,1,0,0,0,0|2,0,1]=4 3551 B16R0.274 CC/C=C\CCCCCCCNCCC(=O)N 269862a_100000740010_200025770492 [0,1,0,0,0,0|1,0,2]=4 3552 B16R0.274 CC/C=C\CCCCCNCCCCC(=O)N 269862a_100000696515_100016288537 [0,1,0,0,0,0|1,0,2]=4 3553 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 34a_100016268722_100009817362 [0,1,0,0,0,0|1,0,2]=4 3554 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 7a_100016268722_100000735457 [0,1,0,0,0,0|1,0,2]=4 3555 B16R0.274 CC/C=C\CCCCOCCCCCC(=O)N 34a_100016287862_100009817443 [0,1,0,0,0,0|1,0,2]=4 3556 B16R0.274 CC/C=C\CCCCOCCCCCC(=O)N 7a_100016287862_100009817443 [0,1,0,0,0,0|1,0,2]=4 3557 B16R0.274 CCC#CCCCCCCCCOCC(=O)N 34a_200000031908_100000187820 [0,1,0,0,0,0|1,0,2]=4 3558 B16R0.274 CCC#CCCCCCCCCOCC(=O)N 7a_200000031908_100000187820 [0,1,0,0,0,0|1,0,2]=4 3559 B16R0.274 CCC#CCCCCCCCCOCC(=O)[O-] 34a_200000031908_100020667443 [0,1,0,0,0,0|0,0,3]=4 3560 B16R0.274 CCC#CCCCCCCNCCCC(=O)N 34a_100000739312_200000036426 [0,1,0,0,0,0|1,0,2]=4 3561 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 34a_100000759063_200000036426 [0,1,0,0,0,0|1,0,2]=4 3562 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 7a_100000759063_200000036426 [0,1,0,0,0,0|1,0,2]=4 3563 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000036426 [0,1,0,0,0,0|1,0,2]=4 3564 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_200000036426_100011215641 [0,1,0,0,0,0|1,0,2]=4 3565 B16R0.274 CCC#CCCCCCCSCCCC(=O)N 62a_100102525003_200000036426 [0,1,0,0,0,0|1,0,2]=4 3566 B16R0.274 CCC#CCCCCCCSCCCC(=O)N 62a_200000036426_100102525003 [0,1,0,0,0,0|1,0,2]=4 3567 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 34a_200020645093_100000685027 [0,1,0,0,0,0|1,0,2]=4 3568 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 7a_200020645093_100011215641 [0,1,0,0,0,0|1,0,2]=4 3569 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)N 34a_200020645093_100102525003 [0,1,0,0,0,0|1,0,2]=4 3570 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)N 7a_200020645093_100102525003 [0,1,0,0,0,0|1,0,2]=4 3571 B16R0.274 CCCC/C=C\CCOCCCCCC(=O)N 34a_200016286491_100009817443 [0,1,0,0,0,0|1,0,2]=4 3572 B16R0.274 CCCC/C=C\CCOCCCCCC(=O)N 7a_200016286491_100009817443 [0,1,0,0,0,0|1,0,2]=4 3573 B16R0.274 CCCCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000043322 [0,1,0,0,0,0|1,0,2]=4 3574 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [0,1,0,0,0,0|0,0,2]=3 3575 B16R0.274 CCCCC#CCCCCCCOCC(=O)C 34a_100000211253_200000043322 [0,1,0,0,0,0|1,0,2]=4 3576 B16R0.274 CCCCC#CCCCCCCSCC(=O)N 62a_100000747473_200000043322 [0,1,0,0,0,0|1,0,2]=4 3577 B16R0.274 CCCCC#CCCCCCCSCC(=O)N 62a_200000043322_100000747473 [0,1,0,0,0,0|1,0,2]=4 3578 B16R0.274 CCCCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000043322 [0,1,0,0,0,0|0,0,3]=4 3579 B16R0.274 CCCCC#CCCCCCCSCC(=O)[O-] 62a_200000043322_100020667443 [0,1,0,0,0,0|0,0,3]=4 3580 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 34a_200000066234_100000685027 [0,1,0,0,0,0|1,0,2]=4 3581 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 7a_200000066234_100011215641 [0,1,0,0,0,0|1,0,2]=4 3582 B16R0.274 CCCCC#CCCCCOCCCC(=O)N 34a_200000066234_100102525003 [0,1,0,0,0,0|1,0,2]=4 3583 B16R0.274 CCCCC#CCCCCOCCCC(=O)N 7a_200000066234_100102525003 [0,1,0,0,0,0|1,0,2]=4 3584 B16R0.274 CCCCC#CCCCNCCCCC(=O)N 34a_100000696515_200000047210 [0,1,0,0,0,0|1,0,2]=4 3585 B16R0.274 CCCCC#CCCCNCCOCC(=O)O 269956a_100000700818_200000047210 [0,1,0,0,0,0|1,0,2]=4 3586 B16R0.274 CCCCC#CCCCOCCCCC(=O)N 34a_100012022536_200000047210 [0,1,0,0,0,0|1,0,2]=4 3587 B16R0.274 CCCCC#CCCCOCCCCC(=O)N 7a_100012022536_200000047210 [0,1,0,0,0,0|1,0,2]=4 3588 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_100000735457_200000047210 [0,1,0,0,0,0|1,0,2]=4 3589 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_200000047210_100000735457 [0,1,0,0,0,0|1,0,2]=4 3590 B16R0.274 CCCCC#CCCOCCCCCC(=O)N 34a_100000037610_100009817443 [0,1,0,0,0,0|1,0,2]=4 3591 B16R0.274 CCCCC#CCCOCCCCCC(=O)N 7a_100000037610_100009817443 [0,1,0,0,0,0|1,0,2]=4 3592 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 34a_100016258190_100009817443 [0,1,0,0,0,0|1,0,2]=4 3593 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 7a_100016258190_100009817443 [0,1,0,0,0,0|1,0,2]=4 3594 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 34a_100020655193_100000685027 [0,1,0,0,0,0|1,0,2]=4 3595 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 7a_100020655193_100011215641 [0,1,0,0,0,0|1,0,2]=4 3596 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 34a_100020655193_100102525003 [0,1,0,0,0,0|1,0,2]=4 3597 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 7a_100020655193_100102525003 [0,1,0,0,0,0|1,0,2]=4 3598 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 34a_100016277358_100009817362 [0,1,0,0,0,0|1,0,2]=4 3599 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 7a_100016277358_100000735457 [0,1,0,0,0,0|1,0,2]=4 3600 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 34a_200000042877_100009817362 [0,1,0,0,0,0|1,0,2]=4 3601 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 7a_200000042877_100000735457 [0,1,0,0,0,0|1,0,2]=4 3602 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 34a_100000123541_100009816472 [0,1,0,0,0,0|1,0,2]=4 3603 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 34a_200000033628_100009817443 [0,1,0,0,0,0|1,0,2]=4 3604 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 7a_100000123541_100009816472 [0,1,0,0,0,0|1,0,2]=4 3605 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 7a_200000033628_100009817443 [0,1,0,0,0,0|1,0,2]=4 3606 B16R0.274 CCCCCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009816472 [0,1,0,0,0,0|0,0,3]=4 3607 B16R0.274 CCCCCC#CCSCCCCCC(=O)N 62a_100009816472_100009817443 [0,1,0,0,0,0|1,0,2]=4 3608 B16R0.274 CCCCCC#CCSCCCCCC(=O)N 62a_100009817443_100009816472 [0,1,0,0,0,0|1,0,2]=4 3609 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 34a_200016276170_100009817362 [0,1,0,0,0,0|1,0,2]=4 3610 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 7a_200016276170_100000735457 [0,1,0,0,0,0|1,0,2]=4 3611 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 34a_200000033163_100000685027 [0,1,0,0,0,0|1,0,2]=4 3612 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 7a_200000033163_100011215641 [0,1,0,0,0,0|1,0,2]=4 3613 B16R0.274 CCCCCCC#CCCOCCCC(=O)N 34a_200000033163_100102525003 [0,1,0,0,0,0|1,0,2]=4 3614 B16R0.274 CCCCCCC#CCCOCCCC(=O)N 7a_200000033163_100102525003 [0,1,0,0,0,0|1,0,2]=4 3615 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 34a_200000037284_100009817362 [0,1,0,0,0,0|1,0,2]=4 3616 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 7a_200000037284_100000735457 [0,1,0,0,0,0|1,0,2]=4 3617 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 34a_200000061759_100000685027 [0,1,0,0,0,0|1,0,2]=4 3618 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 7a_200000061759_100011215641 [0,1,0,0,0,0|1,0,2]=4 3619 B16R0.274 CCCCCCCC#CCOCCCC(=O)N 34a_200000061759_100102525003 [0,1,0,0,0,0|1,0,2]=4 3620 B16R0.274 CCCCCCCC#CCOCCCC(=O)N 7a_200000061759_100102525003 [0,1,0,0,0,0|1,0,2]=4 3621 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [0,1,0,0,0,0|1,0,2]=4 3622 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 34a_200020667288_100000731001 [0,1,0,0,0,0|1,0,2]=4 3623 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 7a_200020667288_100000744528 [0,1,0,0,0,0|1,0,2]=4 3624 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 34a_100015232335_100000187820 [0,1,0,0,0,0|1,0,2]=4 3625 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 7a_100015232335_100000187820 [0,1,0,0,0,0|1,0,2]=4 3626 B16R0.274 CCCCCCCCC/C=C/COCC(=O)[O-] 34a_100015232335_100020667443 [0,1,0,0,0,0|0,0,3]=4 3627 B16R0.274 CCCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218549 [0,1,0,0,0,0|2,0,1]=4 3628 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,1,0,0,0,0|1,0,0]=2 3629 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,1,0,0,0,0|1,0,0]=2 3630 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,1,0,0,0,0|1,0,0]=2 3631 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,1,0,0,0,0|1,0,0]=2 3632 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,1,0,0,0,0|1,0,0]=2 3633 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,1,0,0,0,0|1,0,0]=2 3634 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,1,0,0,0,0|1,0,0]=2 3635 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,1,0,0,0,0|0,0,0]=1 3636 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,1,0,0,0,0|0,0,1]=2 3637 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [0,1,0,0,0,0|1,0,1]=3 3638 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [0,1,0,0,0,0|1,0,1]=3 3639 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [0,1,0,0,0,0|1,0,1]=3 3640 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [0,1,0,0,0,0|1,0,1]=3 3641 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [0,1,0,0,0,0|1,0,1]=3 3642 B16R0.274 CCCCCCCCCCCCNCC(F)F 2230a_100000210451_100011934356 [0,1,0,0,0,0|2,0,1]=4 3643 B16R0.274 CCCCCCCCCCCCNCC(F)F 270004a_100000765723_100011218549 [0,1,0,0,0,0|2,0,1]=4 3644 B16R0.274 CCCCCCCCCCCCNCC(F)F 34a_100000210451_100011934356 [0,1,0,0,0,0|2,0,1]=4 3645 B16R0.274 CCCCCCCCCCCCNCC(F)F 34a_100000765723_100000759014 [0,1,0,0,0,0|2,0,1]=4 3646 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [0,1,0,0,0,0|1,0,1]=3 3647 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [0,1,0,0,0,0|1,0,1]=3 3648 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [0,1,0,0,0,0|1,0,1]=3 3649 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,1,0,0,0,0|1,0,0]=2 3650 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,1,0,0,0,0|1,0,0]=2 3651 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,1,0,0,0,0|1,0,0]=2 3652 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,1,0,0,0,0|0,0,1]=2 3653 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [0,1,0,0,0,0|1,0,1]=3 3654 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [0,1,0,0,0,0|1,0,1]=3 3655 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [0,1,0,0,0,0|2,0,1]=4 3656 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [0,1,0,0,0,0|1,0,1]=3 3657 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [0,1,0,0,0,0|1,0,1]=3 3658 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [0,1,0,0,0,0|1,0,1]=3 3659 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,1,0,0,0,0|1,0,0]=2 3660 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,1,0,0,0,0|0,0,1]=2 3661 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,1,0,0,0,0|1,0,0]=2 3662 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,1,0,0,0,0|1,0,0]=2 3663 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [0,1,0,0,0,0|1,0,1]=3 3664 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [0,1,0,0,0,0|1,0,1]=3 3665 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [0,1,0,0,0,0|1,0,1]=3 3666 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [0,1,0,0,0,0|2,0,0]=3 3667 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,1,0,0,0,0|1,0,0]=2 3668 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,1,0,0,0,0|1,0,0]=2 3669 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,1,0,0,0,0|1,0,0]=2 3670 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,1,0,0,0,0|1,0,0]=2 3671 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,1,0,0,0,0|1,0,0]=2 3672 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,1,0,0,0,0|1,0,0]=2 3673 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,1,0,0,0,0|1,0,0]=2 3674 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,1,0,0,0,0|1,0,0]=2 3675 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [0,1,0,0,0,0|1,0,1]=3 3676 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [0,1,0,0,0,0|1,0,1]=3 3677 B16R0.274 CCCCCCCCCCCOCCN(C)C 7a_100000210809_100000755713 [0,1,0,0,0,0|3,0,0]=4 3678 B16R0.274 CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215454 [0,1,0,0,0,0|2,0,1]=4 3679 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [0,1,0,0,0,0|2,0,0]=3 3680 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,1,0,0,0,0|1,0,0]=2 3681 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [0,1,0,0,0,0|2,0,0]=3 3682 B16R0.274 CCCCCCCCCCNCCC=C(F)F 2230a_100000684558_200009816681 [0,1,0,0,0,0|2,0,1]=4 3683 B16R0.274 CCCCCCCCCCNCCC=C(F)F 34a_100000684558_200009816681 [0,1,0,0,0,0|2,0,1]=4 3684 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,1,0,0,0,0|1,0,0]=2 3685 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,1,0,0,0,0|1,0,0]=2 3686 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,1,0,0,0,0|1,0,0]=2 3687 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [0,1,0,0,0,0|1,0,1]=3 3688 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [0,1,0,0,0,0|1,0,1]=3 3689 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [0,1,0,0,0,0|2,0,0]=3 3690 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,1,0,0,0,0|2,0,0]=3 3691 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,1,0,0,0,0|2,0,0]=3 3692 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,1,0,0,0,0|2,0,0]=3 3693 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,1,0,0,0,0|2,0,0]=3 3694 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,1,0,0,0,0|2,0,0]=3 3695 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,1,0,0,0,0|2,0,0]=3 3696 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,1,0,0,0,0|1,0,0]=2 3697 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,1,0,0,0,0|1,0,0]=2 3698 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,1,0,0,0,0|1,0,0]=2 3699 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,1,0,0,0,0|1,0,0]=2 3700 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,1,0,0,0,0|1,0,0]=2 3701 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,1,0,0,0,0|1,0,0]=2 3702 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [0,1,0,0,0,0|1,0,1]=3 3703 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [0,1,0,0,0,0|1,0,1]=3 3704 B16R0.274 CCCCCCCCCCOCCCN(C)C 7a_100000210711_100000757444 [0,1,0,0,0,0|3,0,0]=4 3705 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [0,1,0,0,0,0|1,0,1]=3 3706 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,1,0,0,0,0|2,0,0]=3 3707 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,1,0,0,0,0|2,0,0]=3 3708 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,1,0,0,0,0|2,0,0]=3 3709 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,1,0,0,0,0|2,0,0]=3 3710 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,1,0,0,0,0|2,0,0]=3 3711 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,1,0,0,0,0|2,0,0]=3 3712 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,1,0,0,0,0|2,0,0]=3 3713 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,1,0,0,0,0|2,0,0]=3 3714 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,1,0,0,0,0|2,0,0]=3 3715 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,1,0,0,0,0|1,0,0]=2 3716 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,1,0,0,0,0|2,0,0]=3 3717 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,1,0,0,0,0|2,0,0]=3 3718 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,1,0,0,0,0|2,0,0]=3 3719 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,1,0,0,0,0|2,0,0]=3 3720 B16R0.274 CCCCCCCCCNCCCCB(O)O 2230a_100000212291_200009817182 [0,1,0,0,0,0|1,0,1]=3 3721 B16R0.274 CCCCCCCCCNCCCCB(O)O 34a_100000212291_200009817182 [0,1,0,0,0,0|1,0,1]=3 3722 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,1,0,0,0,0|1,0,0]=2 3723 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,1,0,0,0,0|1,0,0]=2 3724 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,1,0,0,0,0|2,0,0]=3 3725 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,1,0,0,0,0|2,0,0]=3 3726 B16R0.274 CCCCCCCCCNCCCOC(=S)C 2230a_100000212291_200135323944 [0,1,0,0,0,0|2,1,0]=4 3727 B16R0.274 CCCCCCCCCNCCCOC(=S)C 34a_100000212291_200135323944 [0,1,0,0,0,0|2,1,0]=4 3728 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,1,0,0,0,0|2,0,0]=3 3729 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,1,0,0,0,0|2,0,0]=3 3730 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,1,0,0,0,0|2,0,0]=3 3731 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,1,0,0,0,0|2,0,0]=3 3732 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,1,0,0,0,0|1,0,0]=2 3733 B16R0.274 CCCCCCCCCOCCCCB(O)O 34a_100000210712_200009817182 [0,1,0,0,0,0|1,0,1]=3 3734 B16R0.274 CCCCCCCCCOCCCCB(O)O 7a_100000210712_200009817182 [0,1,0,0,0,0|1,0,1]=3 3735 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,1,0,0,0,0|1,0,0]=2 3736 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,1,0,0,0,0|1,0,0]=2 3737 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,1,0,0,0,0|1,0,0]=2 3738 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,1,0,0,0,0|1,0,0]=2 3739 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [0,1,0,0,0,0|1,0,1]=3 3740 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [0,1,0,0,0,0|1,0,1]=3 3741 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,1,0,0,0,0|2,0,0]=3 3742 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,1,0,0,0,0|2,0,0]=3 3743 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,1,0,0,0,0|2,0,0]=3 3744 B16R0.274 CCCCCCCCCOCCCOC(=S)C 34a_100000210712_200135323944 [0,1,0,0,0,0|2,1,0]=4 3745 B16R0.274 CCCCCCCCCOCCCOC(=S)C 7a_100000210712_200135323944 [0,1,0,0,0,0|2,1,0]=4 3746 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,1,0,0,0,0|2,0,0]=3 3747 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,1,0,0,0,0|2,0,0]=3 3748 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,1,0,0,0,0|2,0,0]=3 3749 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,1,0,0,0,0|2,0,0]=3 3750 B16R0.274 CCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210670 [0,1,0,0,0,0|1,0,1]=3 3751 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,1,0,0,0,0|2,0,0]=3 3752 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,1,0,0,0,0|2,0,0]=3 3753 B16R0.274 CCCCCCCCNCCCCCB(O)O 2230a_100000229939_200009817188 [0,1,0,0,0,0|1,0,1]=3 3754 B16R0.274 CCCCCCCCNCCCCCB(O)O 34a_100000229939_200009817188 [0,1,0,0,0,0|1,0,1]=3 3755 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,1,0,0,0,0|1,0,0]=2 3756 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,1,0,0,0,0|1,0,0]=2 3757 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,1,0,0,0,0|2,0,0]=3 3758 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,1,0,0,0,0|2,0,0]=3 3759 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,1,0,0,0,0|2,0,0]=3 3760 B16R0.274 CCCCCCCCNCCCCO[N+](=O)[O-] 34a_100000229939_100015694321 [0,1,0,0,0,0|2,0,1]=4 3761 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,1,0,0,0,0|2,0,0]=3 3762 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,1,0,0,0,0|2,0,0]=3 3763 B16R0.274 CCCCCCCCNCOCCOC(=O)C 34a_100000229939_100000076355 [0,1,0,0,0,0|3,0,0]=4 3764 B16R0.274 CCCCCCCCOCCCCCB(O)O 34a_100000210232_200009817188 [0,1,0,0,0,0|1,0,1]=3 3765 B16R0.274 CCCCCCCCOCCCCCB(O)O 7a_100000210232_200009817188 [0,1,0,0,0,0|1,0,1]=3 3766 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,1,0,0,0,0|1,0,0]=2 3767 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,1,0,0,0,0|1,0,0]=2 3768 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,1,0,0,0,0|1,0,0]=2 3769 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,1,0,0,0,0|1,0,0]=2 3770 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,1,0,0,0,0|0,0,1]=2 3771 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,1,0,0,0,0|2,0,0]=3 3772 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,1,0,0,0,0|2,0,0]=3 3773 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,1,0,0,0,0|2,0,0]=3 3774 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,1,0,0,0,0|2,0,0]=3 3775 B16R0.274 CCCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210232_100015694321 [0,1,0,0,0,0|2,0,1]=4 3776 B16R0.274 CCCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210232_100015694321 [0,1,0,0,0,0|2,0,1]=4 3777 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,1,0,0,0,0|2,0,0]=3 3778 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,1,0,0,0,0|2,0,0]=3 3779 B16R0.274 CCCCCCCCOCOCCOC(=O)C 34a_100000210232_100000076355 [0,1,0,0,0,0|3,0,0]=4 3780 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_100000210759_200009817188 [0,1,0,0,0,0|1,0,1]=3 3781 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210317 [0,1,0,0,0,0|1,0,1]=3 3782 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,1,0,0,0,0|1,0,0]=2 3783 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,1,0,0,0,0|1,0,0]=2 3784 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,1,0,0,0,0|2,0,0]=3 3785 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,1,0,0,0,0|2,0,0]=3 3786 B16R0.274 CCCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210759_100015694321 [0,1,0,0,0,0|2,0,1]=4 3787 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210317 [0,1,0,0,0,0|3,0,0]=4 3788 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000210759_100000076355 [0,1,0,0,0,0|3,0,0]=4 3789 B16R0.274 CCCCCCCNCCCCCCB(O)O 2230a_100000229938_100009817187 [0,1,0,0,0,0|1,0,1]=3 3790 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [0,1,0,0,0,0|2,0,0]=3 3791 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [0,1,0,0,0,0|2,0,0]=3 3792 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [0,1,0,0,0,0|2,0,0]=3 3793 B16R0.274 CCCCCCCNCCOCCOC(=O)C 2230a_100000229938_200000083610 [0,1,0,0,0,0|3,0,0]=4 3794 B16R0.274 CCCCCCCOCCCCCCB(O)O 34a_100000210272_100009817187 [0,1,0,0,0,0|1,0,1]=3 3795 B16R0.274 CCCCCCCOCCCCCCB(O)O 7a_100000210272_100009817187 [0,1,0,0,0,0|1,0,1]=3 3796 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [0,1,0,0,0,0|2,0,0]=3 3797 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [0,1,0,0,0,0|2,0,0]=3 3798 B16R0.274 CCCCCCCOCCOCCOC(=O)C 34a_100000210272_200000083610 [0,1,0,0,0,0|3,0,0]=4 3799 B16R0.274 CCCCCCCOCCOCCOC(=O)C 7a_100000210272_200000083610 [0,1,0,0,0,0|3,0,0]=4 3800 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100000210614_100009817187 [0,1,0,0,0,0|1,0,1]=3 3801 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210316 [0,1,0,0,0,0|1,0,1]=3 3802 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [0,1,0,0,0,0|2,0,0]=3 3803 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [0,1,0,0,0,0|2,0,0]=3 3804 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_100000210614_200000083610 [0,1,0,0,0,0|3,0,0]=4 3805 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210316 [0,1,0,0,0,0|3,0,0]=4 3806 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [0,1,0,0,0,0|2,0,0]=3 3807 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [0,1,0,0,0,0|2,0,0]=3 3808 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,1,0,0,0,0|2,0,0]=3 3809 B16R0.274 CCCCCCOCCOCCCCB(O)O 34a_100000691444_200009817182 [0,1,0,0,0,0|2,0,1]=4 3810 B16R0.274 CCCCCCOCCOCCCCB(O)O 7a_100000691444_200009817182 [0,1,0,0,0,0|2,0,1]=4 3811 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,1,0,0,0,0|2,0,0]=3 3812 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,1,0,0,0,0|2,0,0]=3 3813 B16R0.274 CCCCCCOCCOCCCOC(=O)C 34a_100000691444_100000042594 [0,1,0,0,0,0|3,0,0]=4 3814 B16R0.274 CCCCCCOCCOCCCOC(=O)C 7a_100000691444_100000042594 [0,1,0,0,0,0|3,0,0]=4 3815 B16R0.274 CCCCCCOCCOCCCSC(=O)C 34a_100000691444_100000038929 [0,1,0,0,0,0|3,0,0]=4 3816 B16R0.274 CCCCCCOCCOCCCSC(=O)C 7a_100000691444_100000038929 [0,1,0,0,0,0|3,0,0]=4 3817 B16R0.274 CCCCCCOCCOCCOCC(=O)N 34a_100000032842_100000187820 [0,1,0,0,0,0|3,0,0]=4 3818 B16R0.274 CCCCCCOCCOCCOCC(=O)N 34a_100000691444_100000076697 [0,1,0,0,0,0|3,0,0]=4 3819 B16R0.274 CCCCCCOCCOCCOCC(=O)N 7a_100000032842_100000187820 [0,1,0,0,0,0|3,0,0]=4 3820 B16R0.274 CCCCCCOCCOCCOCC(=O)N 7a_100000691444_100000076697 [0,1,0,0,0,0|3,0,0]=4 3821 B16R0.274 CCCCCCOCCOCCOCC(=O)[O-] 34a_100000032842_100020667443 [0,1,0,0,0,0|2,0,1]=4 3822 B16R0.274 CCCCCNCCOCCCCCB(O)O 34a_100000224656_200009817188 [0,1,0,0,0,0|2,0,1]=4 3823 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [0,1,0,0,0,0|2,0,0]=3 3824 B16R0.274 CCCCCNCCOCCCCOC(=O)C 34a_100000224656_100000033659 [0,1,0,0,0,0|3,0,0]=4 3825 B16R0.274 CCCCCNCCOCCCCSC(=O)C 34a_100000224656_200010402107 [0,1,0,0,0,0|3,0,0]=4 3826 B16R0.274 CCCCCOCCOCCCCCB(O)O 34a_100011215259_200009817188 [0,1,0,0,0,0|2,0,1]=4 3827 B16R0.274 CCCCCOCCOCCCCCB(O)O 7a_100011215259_200009817188 [0,1,0,0,0,0|2,0,1]=4 3828 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [0,1,0,0,0,0|2,0,0]=3 3829 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [0,1,0,0,0,0|2,0,0]=3 3830 B16R0.274 CCCCCOCCOCCCCOC(=O)C 34a_100011215259_100000033659 [0,1,0,0,0,0|3,0,0]=4 3831 B16R0.274 CCCCCOCCOCCCCOC(=O)C 7a_100011215259_100000033659 [0,1,0,0,0,0|3,0,0]=4 3832 B16R0.274 CCCCCOCCOCCCCSC(=O)C 34a_100011215259_200010402107 [0,1,0,0,0,0|3,0,0]=4 3833 B16R0.274 CCCCCOCCOCCCCSC(=O)C 7a_100011215259_200010402107 [0,1,0,0,0,0|3,0,0]=4 3834 B16R0.274 CCCCNCCCCOCCCCB(O)O 34a_200011216965_200009817182 [0,1,0,0,0,0|2,0,1]=4 3835 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,1,0,0,0,0|2,0,0]=3 3836 B16R0.274 CCCCNCCCCOCCCOC(=O)C 34a_200011216965_100000042594 [0,1,0,0,0,0|3,0,0]=4 3837 B16R0.274 CCCCNCCCCOCCCSC(=O)C 34a_200011216965_100000038929 [0,1,0,0,0,0|3,0,0]=4 3838 B16R0.274 CCCCNCCCCOCCOCC(=O)N 34a_200011216965_100000076697 [0,1,0,0,0,0|3,0,0]=4 3839 B16R0.274 CCCCOCCCCOCCCCB(O)O 34a_200000760531_200009817182 [0,1,0,0,0,0|2,0,1]=4 3840 B16R0.274 CCCCOCCCCOCCCCB(O)O 7a_200000760531_200009817182 [0,1,0,0,0,0|2,0,1]=4 3841 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,1,0,0,0,0|2,0,0]=3 3842 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,1,0,0,0,0|2,0,0]=3 3843 B16R0.274 CCCCOCCCCOCCCOC(=O)C 34a_200000760531_100000042594 [0,1,0,0,0,0|3,0,0]=4 3844 B16R0.274 CCCCOCCCCOCCCOC(=O)C 7a_200000760531_100000042594 [0,1,0,0,0,0|3,0,0]=4 3845 B16R0.274 CCCCOCCCCOCCCSC(=O)C 34a_200000760531_100000038929 [0,1,0,0,0,0|3,0,0]=4 3846 B16R0.274 CCCCOCCCCOCCCSC(=O)C 7a_200000760531_100000038929 [0,1,0,0,0,0|3,0,0]=4 3847 B16R0.274 CCCCOCCCCOCCOCC(=O)N 34a_200000760531_100000076697 [0,1,0,0,0,0|3,0,0]=4 3848 B16R0.274 CCCCOCCCCOCCOCC(=O)N 7a_200000760531_100000076697 [0,1,0,0,0,0|3,0,0]=4 3849 B16R0.274 CCCCOCCCNCCCCCB(O)O 2230a_200000211371_200009817188 [0,1,0,0,0,0|2,0,1]=4 3850 B16R0.274 CCCCOCCCNCCCCCB(O)O 34a_200000211371_200009817188 [0,1,0,0,0,0|2,0,1]=4 3851 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [0,1,0,0,0,0|2,0,0]=3 3852 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [0,1,0,0,0,0|2,0,0]=3 3853 B16R0.274 CCCCOCCCNCCCCOC(=O)C 34a_200000211371_100000033659 [0,1,0,0,0,0|3,0,0]=4 3854 B16R0.274 CCCCOCCCNCCCCSC(=O)C 2230a_200000211371_200010402107 [0,1,0,0,0,0|3,0,0]=4 3855 B16R0.274 CCCCOCCCNCCCCSC(=O)C 34a_200000211371_200010402107 [0,1,0,0,0,0|3,0,0]=4 3856 B16R0.274 CCCCOCCCOCCCCCB(O)O 34a_200011215613_200009817188 [0,1,0,0,0,0|2,0,1]=4 3857 B16R0.274 CCCCOCCCOCCCCCB(O)O 7a_200011215613_200009817188 [0,1,0,0,0,0|2,0,1]=4 3858 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [0,1,0,0,0,0|2,0,0]=3 3859 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [0,1,0,0,0,0|2,0,0]=3 3860 B16R0.274 CCCCOCCCOCCCCOC(=O)C 34a_200011215613_100000033659 [0,1,0,0,0,0|3,0,0]=4 3861 B16R0.274 CCCCOCCCOCCCCOC(=O)C 7a_200011215613_100000033659 [0,1,0,0,0,0|3,0,0]=4 3862 B16R0.274 CCCCOCCCOCCCCSC(=O)C 34a_200011215613_200010402107 [0,1,0,0,0,0|3,0,0]=4 3863 B16R0.274 CCCCOCCCOCCCCSC(=O)C 7a_200011215613_200010402107 [0,1,0,0,0,0|3,0,0]=4 3864 B16R0.274 CCCCOCCNCCCCCNC(=O)C 2230a_200012022750_100000743108 [0,1,0,0,0,0|3,0,0]=4 3865 B16R0.274 CCCCOCCNCCCCCNC(=O)C 34a_200012022750_100000743108 [0,1,0,0,0,0|3,0,0]=4 3866 B16R0.274 CCCCOCCOCCCCCCB(O)O 34a_100000210238_100009817187 [0,1,0,0,0,0|2,0,1]=4 3867 B16R0.274 CCCCOCCOCCCCCCB(O)O 7a_100000210238_100009817187 [0,1,0,0,0,0|2,0,1]=4 3868 B16R0.274 CCCCOCCOCCCCCOC(=O)C 34a_100000210238_100000033007 [0,1,0,0,0,0|3,0,0]=4 3869 B16R0.274 CCCCOCCOCCCCCOC(=O)C 7a_100000210238_100000033007 [0,1,0,0,0,0|3,0,0]=4 3870 B16R0.274 CCCCOCCOCCOCCCC(=O)C 34a_100011215186_100000685027 [0,1,0,0,0,0|3,0,0]=4 3871 B16R0.274 CCCCOCCOCCOCCCC(=O)C 7a_100011215186_100011215641 [0,1,0,0,0,0|3,0,0]=4 3872 B16R0.274 CCCCOCCOCCOCCCC(=O)N 34a_100011215186_100102525003 [0,1,0,0,0,0|3,0,0]=4 3873 B16R0.274 CCCCOCCOCCOCCCC(=O)N 7a_100011215186_100102525003 [0,1,0,0,0,0|3,0,0]=4 3874 B16R0.274 CCCCOCCSCCCCCCB(O)O 62a_100000743108_100009817187 [0,1,0,0,0,0|2,0,1]=4 3875 B16R0.274 CCCCOCCSCCCCCCB(O)O 62a_100009817187_100000743108 [0,1,0,0,0,0|2,0,1]=4 3876 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000033007_100000743108 [0,1,0,0,0,0|3,0,0]=4 3877 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000743108_100000033007 [0,1,0,0,0,0|3,0,0]=4 3878 B16R0.274 CCCCOCNCCCCCCNC(=O)C 2230a_200011996284_100011995733 [0,1,0,0,0,0|3,0,0]=4 3879 B16R0.274 CCCCOCNCCCCCCNC(=O)C 34a_200011996284_100011995733 [0,1,0,0,0,0|3,0,0]=4 3880 B16R0.274 CCCCOCNCCOCCOCC(=O)O 269956a_100009854275_100011995733 [0,1,0,0,0,0|3,0,0]=4 3881 B16R0.274 CCCCSCCNCCCCCCB(O)O 2230a_100025743550_100009817187 [0,1,0,0,0,0|2,0,1]=4 3882 B16R0.274 CCCCSCCNCCCCCOC(=O)C 2230a_100025743550_100009813381 [0,1,0,0,0,0|3,0,0]=4 3883 B16R0.274 CCCCSCCOCCCCCCB(O)O 34a_200000230436_100009817187 [0,1,0,0,0,0|2,0,1]=4 3884 B16R0.274 CCCCSCCOCCCCCCB(O)O 7a_200000230436_100009817187 [0,1,0,0,0,0|2,0,1]=4 3885 B16R0.274 CCCCSCCOCCCCCOC(=O)C 34a_200000230436_100000033007 [0,1,0,0,0,0|3,0,0]=4 3886 B16R0.274 CCCCSCCOCCCCCOC(=O)C 7a_200000230436_100000033007 [0,1,0,0,0,0|3,0,0]=4 3887 B16R0.274 CCCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210207 [0,1,0,0,0,0|3,0,0]=4 3888 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,1,0,0,0,0|1,0,0]=2 3889 B16R0.274 CCCOCCCNCCCCCCB(O)O 2230a_100011217757_100009817187 [0,1,0,0,0,0|2,0,1]=4 3890 B16R0.274 CCCOCCCNCCCCCCB(O)O 34a_100011217757_100009817187 [0,1,0,0,0,0|2,0,1]=4 3891 B16R0.274 CCCOCCCNCCCCCOC(=O)C 2230a_100011217757_100009813381 [0,1,0,0,0,0|3,0,0]=4 3892 B16R0.274 CCCOCCCNCCCCCOC(=O)C 34a_100011217757_100000033007 [0,1,0,0,0,0|3,0,0]=4 3893 B16R0.274 CCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215938 [0,1,0,0,0,0|3,0,0]=4 3894 B16R0.274 CCCOCCNCCCCCCNC(=O)C 34a_200011996284_100011215938 [0,1,0,0,0,0|3,0,0]=4 3895 B16R0.274 CCCOCCNCCOCCOCC(=O)O 269956a_100009854275_100011215938 [0,1,0,0,0,0|3,0,0]=4 3896 B16R0.274 CCCOCCOCCNCCCCC(=O)C 34a_200011904461_100009817362 [0,1,0,0,0,0|3,0,0]=4 3897 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,1,0,0,0,0|1,0,0]=2 3898 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,1,0,0,0,0|1,0,0]=2 3899 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [0,1,0,0,0,0|2,0,0]=3 3900 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [0,1,0,0,0,0|2,0,0]=3 3901 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [0,1,0,0,0,0|1,0,1]=3 3902 B16R0.274 CCOCCCCCCCCCOCC(C)O 34a_100009875440_100011218427 [0,1,0,0,0,0|2,0,1]=4 3903 B16R0.274 CCOCCCCCCCCCOCC(C)O 7a_100009875440_100011218427 [0,1,0,0,0,0|2,0,1]=4 3904 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 34a_100009875440_100009817552 [0,1,0,0,0,0|2,0,1]=4 3905 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 7a_100009875440_100009817552 [0,1,0,0,0,0|2,0,1]=4 3906 B16R0.274 CCOCCCCCCCCCOC[N+](=O)[O-] 34a_100009875440_100000761209 [0,1,0,0,0,0|2,0,1]=4 3907 B16R0.274 CCOCCCNCCCCCCNC(=O)C 2230a_200011996284_100012232248 [0,1,0,0,0,0|3,0,0]=4 3908 B16R0.274 CCOCCCNCCCCCCNC(=O)C 34a_200011996284_100012232248 [0,1,0,0,0,0|3,0,0]=4 3909 B16R0.274 CCOCCCNCCOCCOCC(=O)O 269956a_100009854275_100012232248 [0,1,0,0,0,0|3,0,0]=4 3910 B16R0.274 CCOCCOCCNCCCCCC(=O)N 2230a_100102712874_100009817443 [0,1,0,0,0,0|3,0,0]=4 3911 B16R0.274 CCOCCOCCNCCCCCC(=O)N 34a_100102712874_100009817443 [0,1,0,0,0,0|3,0,0]=4 3912 B16R0.274 CCOCCOCCOCCCCCC(=O)N 34a_100000123541_100011211534 [0,1,0,0,0,0|3,0,0]=4 3913 B16R0.274 CCOCCOCCOCCCCCC(=O)N 34a_100000210240_100009817443 [0,1,0,0,0,0|3,0,0]=4 3914 B16R0.274 CCOCCOCCOCCCCCC(=O)N 7a_100000123541_100011211534 [0,1,0,0,0,0|3,0,0]=4 3915 B16R0.274 CCOCCOCCOCCCCCC(=O)N 7a_100000210240_100009817443 [0,1,0,0,0,0|3,0,0]=4 3916 B16R0.274 CCOCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011211534 [0,1,0,0,0,0|2,0,1]=4 3917 B16R0.274 CCOCCOCCSCCCCCC(=O)N 62a_100009817443_100011211534 [0,1,0,0,0,0|3,0,0]=4 3918 B16R0.274 CCOCCOCCSCCCCCC(=O)N 62a_100011211534_100009817443 [0,1,0,0,0,0|3,0,0]=4 3919 B16R0.274 CN(C)CCCCCCCCCCCCCO 2230a_100102631434_100009812470 [0,1,0,0,0,0|3,0,0]=4 3920 B16R0.274 CN(C)CCCCCCCCCCCCCO 269982a_100102631434_100009812470 [0,1,0,0,0,0|3,0,0]=4 3921 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [0,1,0,0,0,0|2,0,0]=3 3922 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [0,1,0,0,0,0|2,0,0]=3 3923 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [0,1,0,0,0,0|2,0,0]=3 3924 B16R0.274 CNCCCCCOCCCCCCB(O)O 34a_100000722520_100009817187 [0,1,0,0,0,0|2,0,1]=4 3925 B16R0.274 CNCCCCCOCCCCCOC(=O)C 34a_100000722520_100000033007 [0,1,0,0,0,0|3,0,0]=4 3926 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [0,1,0,0,0,0|2,0,0]=3 3927 B16R0.274 COCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011998445 [0,1,0,0,0,0|3,0,0]=4 3928 B16R0.274 COCCCCCCNCCCCNC(=O)C 34a_200011368371_100011998445 [0,1,0,0,0,0|3,0,0]=4 3929 B16R0.274 COCCCCCCOCCCCCB(O)O 34a_200012092642_200009817188 [0,1,0,0,0,0|2,0,1]=4 3930 B16R0.274 COCCCCCCOCCCCCB(O)O 7a_200012092642_200009817188 [0,1,0,0,0,0|2,0,1]=4 3931 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [0,1,0,0,0,0|2,0,0]=3 3932 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [0,1,0,0,0,0|2,0,0]=3 3933 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [0,1,0,0,0,0|2,0,0]=3 3934 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [0,1,0,0,0,0|2,0,0]=3 3935 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [0,1,0,0,0,0|1,0,1]=3 3936 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_100000073216_100011998445 [0,1,0,0,0,0|3,0,0]=4 3937 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_200012092642_100000033659 [0,1,0,0,0,0|3,0,0]=4 3938 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_100000073216_100011998445 [0,1,0,0,0,0|3,0,0]=4 3939 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_200012092642_100000033659 [0,1,0,0,0,0|3,0,0]=4 3940 B16R0.274 COCCCCCCOCCCCSC(=O)C 34a_200012092642_200010402107 [0,1,0,0,0,0|3,0,0]=4 3941 B16R0.274 COCCCCCCOCCCCSC(=O)C 7a_200012092642_200010402107 [0,1,0,0,0,0|3,0,0]=4 3942 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_100011998445_200009817188 [0,1,0,0,0,0|2,0,1]=4 3943 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_200009817188_100011998445 [0,1,0,0,0,0|2,0,1]=4 3944 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [0,1,0,0,0,0|2,0,0]=3 3945 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [0,1,0,0,0,0|2,0,0]=3 3946 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100000033659_100011998445 [0,1,0,0,0,0|3,0,0]=4 3947 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100011998445_100000033659 [0,1,0,0,0,0|3,0,0]=4 3948 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_100011998445_200010402107 [0,1,0,0,0,0|3,0,0]=4 3949 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_200010402107_100011998445 [0,1,0,0,0,0|3,0,0]=4 3950 B16R0.274 COCCCCCNCCCCCCB(O)O 2230a_100000747528_100009817187 [0,1,0,0,0,0|2,0,1]=4 3951 B16R0.274 COCCCCCNCCCCCCB(O)O 34a_100000747528_100009817187 [0,1,0,0,0,0|2,0,1]=4 3952 B16R0.274 COCCCCCNCCCCCOC(=O)C 2230a_100000747528_100009813381 [0,1,0,0,0,0|3,0,0]=4 3953 B16R0.274 COCCCCCNCCCCCOC(=O)C 34a_100000747528_100000033007 [0,1,0,0,0,0|3,0,0]=4 3954 B16R0.274 COCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000730899 [0,1,0,0,0,0|3,0,0]=4 3955 B16R0.274 COCCCCNCCCCCCNC(=O)C 34a_200011996284_100000755781 [0,1,0,0,0,0|3,0,0]=4 3956 B16R0.274 COCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000730899 [0,1,0,0,0,0|3,0,0]=4 3957 B16R0.274 COCCCOCCCOCCCCC(=O)C 34a_200011215475_100009817362 [0,1,0,0,0,0|3,0,0]=4 3958 B16R0.274 COCCCOCCCOCCCCC(=O)C 7a_200011215475_100000735457 [0,1,0,0,0,0|3,0,0]=4 3959 B16R0.274 COCCOCCCNCCCCCC(=O)N 2230a_100000206027_100009817443 [0,1,0,0,0,0|3,0,0]=4 3960 B16R0.274 COCCOCCCNCCCCCC(=O)N 34a_100000206027_100009817443 [0,1,0,0,0,0|3,0,0]=4 3961 B16R0.274 COCCOCCCOCCCCCC(=O)N 34a_100000123541_100011216529 [0,1,0,0,0,0|3,0,0]=4 3962 B16R0.274 COCCOCCCOCCCCCC(=O)N 7a_100000123541_100011216529 [0,1,0,0,0,0|3,0,0]=4 3963 B16R0.274 COCCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216529 [0,1,0,0,0,0|2,0,1]=4 3964 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100009817443_100011216529 [0,1,0,0,0,0|3,0,0]=4 3965 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100011216529_100009817443 [0,1,0,0,0,0|3,0,0]=4 3966 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [0,1,0,0,0,0|2,0,0]=3 3967 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [0,1,0,0,0,0|2,0,0]=3 3968 B16R0.274 CS(=O)CCCNCCCCCCCCCO 2230a_200000753449_100009813782 [0,1,0,0,0,0|3,0,0]=4 3969 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [0,1,0,0,0,0|2,0,0]=3 3970 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [0,1,0,0,0,0|2,0,0]=3 3971 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [0,1,0,0,0,0|2,0,1]=4 3972 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [0,1,0,0,0,0|2,0,1]=4 3973 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [0,1,0,0,0,0|2,0,1]=4 3974 B16R0.274 N#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100009813337 [0,1,0,0,0,0|2,0,1]=4 3975 B16R0.274 N#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813337 [0,1,0,0,0,0|1,0,2]=4 3976 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009813337_100009817443 [0,1,0,0,0,0|2,0,1]=4 3977 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100009813337 [0,1,0,0,0,0|2,0,1]=4 3978 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_100011215382_200010167045 [0,1,0,0,0,0|2,0,1]=4 3979 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215382 [0,1,0,0,0,0|2,0,1]=4 3980 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [0,1,0,0,0,0|2,0,0]=3 3981 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [0,1,0,0,0,0|2,0,0]=3 3982 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [0,1,0,0,0,0|2,0,0]=3 3983 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [0,1,0,0,0,0|2,0,0]=3 3984 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200010167045_200015260668 [0,1,0,0,0,0|2,0,1]=4 3985 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200015260668_200010167045 [0,1,0,0,0,0|2,0,1]=4 3986 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [0,1,0,0,0,0|2,0,0]=3 3987 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [0,1,0,0,0,0|2,0,0]=3 3988 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [0,1,0,0,0,0|2,0,0]=3 3989 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [0,1,0,0,0,0|2,0,0]=3 3990 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [0,1,0,0,0,0|2,0,0]=3 3991 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [0,1,0,0,0,0|2,0,0]=3 3992 B16R0.274 NC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009817443 [0,1,0,0,0,0|3,0,0]=4 3993 B16R0.274 NC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009817443 [0,1,0,0,0,0|3,0,0]=4 3994 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [0,1,0,0,0,0|2,0,0]=3 3995 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [0,1,0,0,0,0|2,0,0]=3 3996 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [0,1,0,0,0,0|2,0,0]=3 3997 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [0,1,0,0,0,0|2,0,0]=3 3998 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [0,1,0,0,0,0|2,0,0]=3 3999 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [0,1,0,0,0,0|2,0,0]=3 4000 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,1,0,0,0,0|2,0,0]=3 4001 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,1,0,0,0,0|2,0,0]=3 4002 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,1,0,0,0,0|2,0,0]=3 4003 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,1,0,0,0,0|2,0,0]=3 4004 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,1,0,0,0,0|2,0,0]=3 4005 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,1,0,0,0,0|2,0,0]=3 4006 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,1,0,0,0,0|2,0,0]=3 4007 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,1,0,0,0,0|2,0,0]=3 4008 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,1,0,0,0,0|2,0,0]=3 4009 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,1,0,0,0,0|2,0,0]=3 4010 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,1,0,0,0,0|2,0,0]=3 4011 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,1,0,0,0,0|2,0,0]=3 4012 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,1,0,0,0,0|2,0,0]=3 4013 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,1,0,0,0,0|2,0,0]=3 4014 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,1,0,0,0,0|2,0,0]=3 4015 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,1,0,0,0,0|2,0,0]=3 4016 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,1,0,0,0,0|2,0,0]=3 4017 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,1,0,0,0,0|2,0,0]=3 4018 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,1,0,0,0,0|2,0,0]=3 4019 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,1,0,0,0,0|2,0,0]=3 4020 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,1,0,0,0,0|2,0,0]=3 4021 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [0,1,0,0,0,0|2,0,0]=3 4022 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [0,1,0,0,0,0|2,0,0]=3 4023 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [0,1,0,0,0,0|2,0,0]=3 4024 B16R0.274 NC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000076697 [0,1,0,0,0,0|3,0,0]=4 4025 B16R0.274 NC(=O)COCCNCCCCCCCCO 34a_102515433106_100000076697 [0,1,0,0,0,0|3,0,0]=4 4026 B16R0.274 NC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000076697 [0,1,0,0,0,0|3,0,0]=4 4027 B16R0.274 NC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000076697 [0,1,0,0,0,0|3,0,0]=4 4028 B16R0.274 NC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000076697 [0,1,0,0,0,0|3,0,0]=4 4029 B16R0.274 NC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000076697 [0,1,0,0,0,0|3,0,0]=4 4030 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000033203_100000076697 [0,1,0,0,0,0|3,0,0]=4 4031 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000076697_100000033203 [0,1,0,0,0,0|3,0,0]=4 4032 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [0,1,0,0,0,0|2,0,0]=3 4033 B16R0.274 NC(=O)NCCNCCCCCCCCCO 2230a_100000078944_200000034859 [0,1,0,0,0,0|3,0,0]=4 4034 B16R0.274 NC(=O)NCCNCCCCCCCCCO 34a_100020590234_100009813782 [0,1,0,0,0,0|3,0,0]=4 4035 B16R0.274 NC(=O)NCCOCCCCCCCCCBr 7a_100009813782_200000034859 [0,1,0,0,0,0|3,0,0]=4 4036 B16R0.274 NC(=O)NCCOCCCCCCCCCCl 7a_100009868337_200000034859 [0,1,0,0,0,0|3,0,0]=4 4037 B16R0.274 NC(=O)NCCOCCCCCCCCCO 34a_100000181757_100009813782 [0,1,0,0,0,0|3,0,0]=4 4038 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_100009813782_200000034859 [0,1,0,0,0,0|3,0,0]=4 4039 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_200000034859_100009813782 [0,1,0,0,0,0|3,0,0]=4 4040 B16R0.274 NC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011214921 [0,1,0,0,0,0|3,0,0]=4 4041 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011214921 [0,1,0,0,0,0|3,0,0]=4 4042 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011214921 [0,1,0,0,0,0|3,0,0]=4 4043 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011214921 [0,1,0,0,0,0|3,0,0]=4 4044 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011214921 [0,1,0,0,0,0|3,0,0]=4 4045 B16R0.274 NC(=O)OCCOCCCCCCCCCO 7a_100000766696_100009813782 [0,1,0,0,0,0|3,0,0]=4 4046 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011214921 [0,1,0,0,0,0|3,0,0]=4 4047 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_200011214921_100009813782 [0,1,0,0,0,0|3,0,0]=4 4048 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,1,0,0,0,0|2,0,0]=3 4049 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,1,0,0,0,0|2,0,0]=3 4050 B16R0.274 NCCCCCCCCCOCCOC(=O)N 34a_100000078944_200011214921 [0,1,0,0,0,0|3,0,0]=4 4051 B16R0.274 NCCCCCCCCOCCCCB(O)O 34a_102515433106_200009817182 [0,1,0,0,0,0|2,0,1]=4 4052 B16R0.274 NCCCCCCCCOCCOCC(=O)N 34a_102515433106_100000076697 [0,1,0,0,0,0|3,0,0]=4 4053 B16R0.274 NCCCCCCCOCCCCCB(O)O 34a_100011996573_200009817188 [0,1,0,0,0,0|2,0,1]=4 4054 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [0,1,0,0,0,0|2,0,0]=3 4055 B16R0.274 NCCCCCCOCCCCCCB(O)O 34a_100000686447_100009817187 [0,1,0,0,0,0|2,0,1]=4 4056 B16R0.274 NCCCOCCCOCCCCCC(=O)N 34a_100011310245_100009817443 [0,1,0,0,0,0|3,0,0]=4 4057 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [0,1,0,0,0,0|2,0,0]=3 4058 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,1,0,0,0,0|1,0,0]=2 4059 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,1,0,0,0,0|2,0,0]=3 4060 B16R0.274 O=C(O)COCCOCCNCCCCCF 269956a_100009854275_100000729378 [0,1,0,0,0,0|3,0,0]=4 4061 B16R0.274 O=C(O)COCCOCCNCCCCCO 269956a_100009854275_100000746330 [0,1,0,0,0,0|3,0,0]=4 4062 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [0,1,0,0,0,0|2,0,0]=3 4063 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [0,1,0,0,0,0|1,0,1]=3 4064 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [0,1,0,0,0,0|1,0,1]=3 4065 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [0,1,0,0,0,0|1,0,1]=3 4066 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 34a_200015379883_100000033203 [0,1,0,0,0,0|2,0,1]=4 4067 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 7a_200015379883_100000033203 [0,1,0,0,0,0|2,0,1]=4 4068 B16R0.274 O=[N+]([O-])CCCOCCCCCCCCCO 34a_200000037920_100009813782 [0,1,0,0,0,0|2,0,1]=4 4069 B16R0.274 O=[N+]([O-])COCCCCCCCCCCCBr 34a_100009812471_100000761209 [0,1,0,0,0,0|2,0,1]=4 4070 B16R0.274 O=[N+]([O-])CSCCCCCCCCCCCO 62a_100009812471_100000761209 [0,1,0,0,0,0|2,0,1]=4 4071 B16R0.274 OB(O)CCCCCCOCCCCCCBr 34a_100011215345_100009817187 [0,1,0,0,0,0|2,0,1]=4 4072 B16R0.274 OB(O)CCCCCCOCCCCCCBr 7a_100011215345_100009817187 [0,1,0,0,0,0|2,0,1]=4 4073 B16R0.274 OB(O)CCCCCCOCCCCCCCl 34a_100000766143_100009817187 [0,1,0,0,0,0|2,0,1]=4 4074 B16R0.274 OB(O)CCCCCCOCCCCCCCl 7a_100000766143_100009817187 [0,1,0,0,0,0|2,0,1]=4 4075 B16R0.274 OB(O)CCCCCCOCCCCCCF 34a_100000732779_100009817187 [0,1,0,0,0,0|2,0,1]=4 4076 B16R0.274 OB(O)CCCCCCOCCCCCCF 7a_100000732779_100009817187 [0,1,0,0,0,0|2,0,1]=4 4077 B16R0.274 OB(O)CCCCCCSCCCCCCF 62a_100009817187_100015922095 [0,1,0,0,0,0|2,0,1]=4 4078 B16R0.274 OB(O)CCCCCCSCCCCCCF 62a_100015922095_100009817187 [0,1,0,0,0,0|2,0,1]=4 4079 B16R0.274 OB(O)CCCCCOCCCCCCCBr 34a_100000760002_200009817188 [0,1,0,0,0,0|2,0,1]=4 4080 B16R0.274 OB(O)CCCCCOCCCCCCCBr 7a_100000760002_200009817188 [0,1,0,0,0,0|2,0,1]=4 4081 B16R0.274 OB(O)CCCCOCCCCCCCCBr 34a_100009813846_200009817182 [0,1,0,0,0,0|2,0,1]=4 4082 B16R0.274 OB(O)CCCCOCCCCCCCCBr 7a_100009813846_200009817182 [0,1,0,0,0,0|2,0,1]=4 4083 B16R0.274 OB(O)CCCCOCCCCCCCCCl 34a_100000033203_200009817182 [0,1,0,0,0,0|2,0,1]=4 4084 B16R0.274 OB(O)CCCCOCCCCCCCCCl 7a_100000033203_200009817182 [0,1,0,0,0,0|2,0,1]=4 4085 B16R0.274 OCCCCCCCCNCCCCB(O)O 2230a_102515433106_200009817182 [0,1,0,0,0,0|2,0,1]=4 4086 B16R0.274 OCCCCCCCCNCCCCB(O)O 34a_102515433106_200009817182 [0,1,0,0,0,0|2,0,1]=4 4087 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_100000033203_200009817182 [0,1,0,0,0,0|2,0,1]=4 4088 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_200009817182_100000033203 [0,1,0,0,0,0|2,0,1]=4 4089 B16R0.274 OCCCCCCCNCCCCCB(O)O 2230a_100011996573_200009817188 [0,1,0,0,0,0|2,0,1]=4 4090 B16R0.274 OCCCCCCCNCCCCCB(O)O 34a_100011996573_200009817188 [0,1,0,0,0,0|2,0,1]=4 4091 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_100000760002_200009817188 [0,1,0,0,0,0|2,0,1]=4 4092 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_200009817188_100000760002 [0,1,0,0,0,0|2,0,1]=4 4093 B16R0.274 OCCCCCCNCCCCCCB(O)O 2230a_100000686447_100009817187 [0,1,0,0,0,0|2,0,1]=4 4094 B16R0.274 OCCCCCCNCCCCCCB(O)O 34a_100000686447_100009817187 [0,1,0,0,0,0|2,0,1]=4 4095 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100000766143_100009817187 [0,1,0,0,0,0|2,0,1]=4 4096 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100009817187_100000766143 [0,1,0,0,0,0|2,0,1]=4 4097 B16R0.297 C#CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100153394163 [0,1,0,0,0,0|1,0,2]=4 4098 B16R0.297 C=CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012355270 [0,1,0,0,0,0|1,0,2]=4 4099 B16R0.297 CC(CCCC(=O)[O-])OCCCCCCCO 7a_100000761597_100000760002 [0,1,0,0,0,0|2,0,1]=4 4100 B16R0.297 CCCCC#CCCCN(C)CCCC(=O)O 269956a_100000719178_200000047210 [0,1,0,0,0,0|1,0,2]=4 4101 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [0,1,0,0,0,0|1,0,1]=3 4102 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [0,1,0,0,0,0|1,0,1]=3 4103 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [0,1,0,0,0,0|1,0,2]=4 4104 B16R0.297 CCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210670 [0,1,0,0,0,0|1,0,2]=4 4105 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210670 [0,1,0,0,0,0|2,0,1]=4 4106 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210558_100000189650 [0,1,0,0,0,0|2,0,1]=4 4107 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210670 [0,1,0,0,0,0|2,0,1]=4 4108 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210558_200000034859 [0,1,0,0,0,0|2,0,1]=4 4109 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210558_100009814007 [0,1,0,0,0,0|2,0,1]=4 4110 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210558_200011214921 [0,1,0,0,0,0|2,0,1]=4 4111 B16R0.297 CCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210670 [0,1,0,0,0,0|2,0,1]=4 4112 B16R0.297 CCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210670 [0,1,0,0,0,0|2,0,1]=4 4113 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210558 [0,1,0,0,0,0|2,0,1]=4 4114 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210558 [0,1,0,0,0,0|2,0,1]=4 4115 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210558 [0,1,0,0,0,0|2,0,1]=4 4116 B16R0.297 CCCCCCCCCC(C)CNCC(C)O 270004a_100000210904_200011218516 [0,1,0,0,0,0|2,0,1]=4 4117 B16R0.297 CCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011215753 [0,1,0,0,0,0|2,0,1]=4 4118 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [0,1,0,0,0,0|2,0,0]=3 4119 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [0,1,0,0,0,0|2,0,0]=3 4120 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [0,1,0,0,0,0|2,0,0]=3 4121 B16R0.297 CCCCCCCCCC(C)OCCC(C)O 34a_100011218016_100012276601 [0,1,0,0,0,0|2,0,1]=4 4122 B16R0.297 CCCCCCCCCC(C)OCCC(C)O 7a_100011218016_100012276601 [0,1,0,0,0,0|2,0,1]=4 4123 B16R0.297 CCCCCCCCCC(C)OCOC(=O)C 34a_100011218016_100009813279 [0,1,0,0,0,0|3,0,0]=4 4124 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [0,1,0,0,0,0|2,0,0]=3 4125 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [0,1,0,0,0,0|2,0,0]=3 4126 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,1,0,0,0,0|1,0,0]=2 4127 B16R0.297 CCCCCCCCCN(C)CCCC(C)O 2230a_100000232482_200000718107 [0,1,0,0,0,0|2,0,1]=4 4128 B16R0.297 CCCCCCCCCN(C)CCCC(C)O 269982a_100000232482_200000718107 [0,1,0,0,0,0|2,0,1]=4 4129 B16R0.297 CCCCCCCCCN(C)CCNC(=O)C 2230a_100000232482_100000189650 [0,1,0,0,0,0|3,0,0]=4 4130 B16R0.297 CCCCCCCCCN(C)CCNC(=O)C 269982a_100000232482_100000189650 [0,1,0,0,0,0|3,0,0]=4 4131 B16R0.297 CCCCCCCCCN(C)CCNC(=O)N 2230a_100000232482_200000034859 [0,1,0,0,0,0|3,0,0]=4 4132 B16R0.297 CCCCCCCCCN(C)CCNC(=O)N 269982a_100000232482_200000034859 [0,1,0,0,0,0|3,0,0]=4 4133 B16R0.297 CCCCCCCCCN(C)CCOC(=O)C 269982a_100000232482_100009814007 [0,1,0,0,0,0|3,0,0]=4 4134 B16R0.297 CCCCCCCCCN(C)CCOC(=O)N 269982a_100000232482_200011214921 [0,1,0,0,0,0|3,0,0]=4 4135 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [0,1,0,0,0,0|1,0,1]=3 4136 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [0,1,0,0,0,0|2,0,0]=3 4137 B16R0.297 COCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011998445 [0,1,0,0,0,0|2,0,1]=4 4138 B16R0.302 C#CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100153394163 [0,1,0,0,0,0|1,0,2]=4 4139 B16R0.302 C=CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100009814027 [0,1,0,0,0,0|1,0,2]=4 4140 B16R0.302 C=CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012355270 [0,1,0,0,0,0|1,0,2]=4 4141 B16R0.302 CCCCC#CCCCNCC(O)CC(=O)O 269956a_100011218706_200000047210 [0,1,0,0,0,0|1,0,2]=4 4142 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,1,0,0,0,0|1,0,1]=3 4143 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,1,0,0,0,0|1,0,1]=3 4144 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,1,0,0,0,0|0,0,2]=3 4145 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,1,0,0,0,0|1,0,2]=4 4146 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,1,0,0,0,0|1,0,2]=4 4147 B16R0.302 CCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210736_100000761209 [0,1,0,0,0,0|1,0,2]=4 4148 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [0,1,0,0,0,0|2,0,0]=3 4149 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,1,0,0,0,0|1,0,0]=2 4150 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215454 [0,1,0,0,0,0|2,0,1]=4 4151 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011215454 [0,1,0,0,0,0|2,0,1]=4 4152 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 240690a_100000684558_100134613110 [0,1,0,0,0,0|2,0,1]=4 4153 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 527a_100000684558_100134613110 [0,1,0,0,0,0|2,0,1]=4 4154 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C 1458a_100000070787_100000210668 [0,1,0,0,0,0|2,0,1]=4 4155 B16R0.302 CCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210320 [0,1,0,0,0,0|3,0,0]=4 4156 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,1,0,0,0,0|1,0,0]=2 4157 B16R0.302 CN(CCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813290 [0,1,0,0,0,0|3,0,0]=4 4158 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,1,0,0,0,0|2,0,0]=3 4159 B16R0.302 NC(=O)CC(=O)CCCCCCCCCCO 1458a_100134613110_100009813290 [0,1,0,0,0,0|2,0,1]=4 4160 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,1,0,0,0,0|2,0,0]=3 4161 B16R0.1188 CCCCCCCCCCCCNS(=O)(=O)C 40a_100000210451_100000738038 [0,1,0,0,0,0|2,0,1]=4 4162 B16R0.1188 CCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011215454 [0,1,0,0,0,0|2,0,1]=4 4163 B16R0.1188 CCCCCCCCCCCNCC(C)(C)O 34a_200011215754_100000764493 [0,1,0,0,0,0|2,0,1]=4 4164 B16R0.1188 CCCCCCCCCCCNCS(=O)(=O)[O-] 34a_200011215754_100009817235 [0,1,0,0,0,0|2,0,1]=4 4165 B16R0.1188 CCCCCCCCCCCOCC(C)(C)O 34a_100000210809_100000764493 [0,1,0,0,0,0|2,0,1]=4 4166 B16R0.1188 CCCCCCCCCCCOCC(C)(C)O 7a_100000210809_100000764493 [0,1,0,0,0,0|2,0,1]=4 4167 B16R0.1188 CCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210809_100009817235 [0,1,0,0,0,0|2,0,1]=4 4168 B16R0.1188 CCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100011215454 [0,1,0,0,0,0|2,0,1]=4 4169 B16R0.1188 CCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011215454 [0,1,0,0,0,0|2,0,1]=4 4170 B16R0.1188 CCCCCCCCCCNCCC(C)(C)O 2230a_100000684558_100000702414 [0,1,0,0,0,0|2,0,1]=4 4171 B16R0.1188 CCCCCCCCCCNCCC(C)(C)O 34a_100000684558_100000702414 [0,1,0,0,0,0|2,0,1]=4 4172 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 2230a_100000684558_100000731031 [0,1,0,0,0,0|2,0,1]=4 4173 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210320 [0,1,0,0,0,0|2,0,1]=4 4174 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 34a_100000684558_100000731031 [0,1,0,0,0,0|2,0,1]=4 4175 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210320 [0,1,0,0,0,0|2,0,1]=4 4176 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210320 [0,1,0,0,0,0|2,0,1]=4 4177 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210320 [0,1,0,0,0,0|2,0,1]=4 4178 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000684558_100000737633 [0,1,0,0,0,0|2,0,1]=4 4179 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000684558_100000762736 [0,1,0,0,0,0|2,0,1]=4 4180 B16R0.1188 CCCCCCCCCCOCCC(C)(C)O 34a_100000210711_100000702414 [0,1,0,0,0,0|2,0,1]=4 4181 B16R0.1188 CCCCCCCCCCOCCC(C)(C)O 7a_100000210711_100000702414 [0,1,0,0,0,0|2,0,1]=4 4182 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 34a_100000210711_100000731031 [0,1,0,0,0,0|2,0,1]=4 4183 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210320 [0,1,0,0,0,0|2,0,1]=4 4184 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 7a_100000210711_100000230027 [0,1,0,0,0,0|2,0,1]=4 4185 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210320 [0,1,0,0,0,0|2,0,1]=4 4186 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210320 [0,1,0,0,0,0|2,0,1]=4 4187 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210711_100000762736 [0,1,0,0,0,0|2,0,1]=4 4188 B16R0.1188 CCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210320 [0,1,0,0,0,0|2,0,1]=4 4189 B16R0.1188 CCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210320 [0,1,0,0,0,0|2,0,1]=4 4190 B16R0.1188 CCCCCCCCCNCCCC(C)(C)O 2230a_100000212291_100009888830 [0,1,0,0,0,0|2,0,1]=4 4191 B16R0.1188 CCCCCCCCCNCCCC(C)(C)O 34a_100000212291_100009888830 [0,1,0,0,0,0|2,0,1]=4 4192 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 2230a_100000212291_100000754308 [0,1,0,0,0,0|2,0,1]=4 4193 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011214924 [0,1,0,0,0,0|2,0,1]=4 4194 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 34a_100000212291_100000754308 [0,1,0,0,0,0|2,0,1]=4 4195 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100011214924 [0,1,0,0,0,0|2,0,1]=4 4196 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)N 2230a_100000212291_100000750626 [0,1,0,0,0,0|2,0,1]=4 4197 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)N 34a_100000212291_100000750626 [0,1,0,0,0,0|2,0,1]=4 4198 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000212291_100009813499 [0,1,0,0,0,0|2,0,1]=4 4199 B16R0.1188 CCCCCCCCCOCCCC(C)(C)O 34a_100000210712_100009888830 [0,1,0,0,0,0|2,0,1]=4 4200 B16R0.1188 CCCCCCCCCOCCCC(C)(C)O 7a_100000210712_100009888830 [0,1,0,0,0,0|2,0,1]=4 4201 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 34a_100000210712_100000754308 [0,1,0,0,0,0|2,0,1]=4 4202 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100011214924 [0,1,0,0,0,0|2,0,1]=4 4203 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 7a_100000210712_100000754308 [0,1,0,0,0,0|2,0,1]=4 4204 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210328 [0,1,0,0,0,0|2,0,1]=4 4205 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)N 34a_100000210712_100000750626 [0,1,0,0,0,0|2,0,1]=4 4206 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)N 7a_100000210712_100000750626 [0,1,0,0,0,0|2,0,1]=4 4207 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210712_100009813499 [0,1,0,0,0,0|2,0,1]=4 4208 B16R0.1188 CCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210670 [0,1,0,0,0,0|2,0,1]=4 4209 B16R0.1188 CCCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210670 [0,1,0,0,0,0|2,0,1]=4 4210 B16R0.1188 CCCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210670 [0,1,0,0,0,0|2,0,1]=4 4211 B16R0.1188 CCCCCCCNCCCCCC(C)(C)O 2230a_100000229938_100010402123 [0,1,0,0,0,0|2,0,1]=4 4212 B16R0.1188 CCCCCCCOCCCCCC(C)(C)O 34a_100000210272_100010402123 [0,1,0,0,0,0|2,0,1]=4 4213 B16R0.1188 CCCCCCCOCCCCCC(C)(C)O 7a_100000210272_100010402123 [0,1,0,0,0,0|2,0,1]=4 4214 B16R0.1469 CCCCCC(=O)COCCCCCC(=O)N 34a_100000123541_200012276598 [0,1,0,0,0,0|2,0,1]=4 4215 B16R0.1469 CCCCCC(=O)COCCCCCC(=O)N 7a_100000123541_200012276598 [0,1,0,0,0,0|2,0,1]=4 4216 B16R0.1469 CCCCCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_200012276598 [0,1,0,0,0,0|1,0,2]=4 4217 B16R0.1469 CCCCCC(=O)CSCCCCCC(=O)N 62a_100009817443_200012276598 [0,1,0,0,0,0|2,0,1]=4 4218 B16R0.1469 CCCCCC(=O)CSCCCCCC(=O)N 62a_200012276598_100009817443 [0,1,0,0,0,0|2,0,1]=4 4219 B16R0.1469 CCCCCC(C)NCCCCCCB(O)O 2230a_100000211957_100009817187 [0,1,0,0,0,0|2,0,1]=4 4220 B16R0.1469 CCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011218191 [0,1,0,0,0,0|3,0,0]=4 4221 B16R0.1469 CCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211708 [0,1,0,0,0,0|3,0,0]=4 4222 B16R0.1469 CCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011218191 [0,1,0,0,0,0|3,0,0]=4 4223 B16R0.1469 CCCCCC(C)NCCCCCOC(=O)C 2230a_100000211957_100009813381 [0,1,0,0,0,0|3,0,0]=4 4224 B16R0.1469 CCCCCC(C)OCCCCCCB(O)O 34a_100011215632_100009817187 [0,1,0,0,0,0|2,0,1]=4 4225 B16R0.1469 CCCCCC(C)OCCCCCCB(O)O 7a_100011215632_100009817187 [0,1,0,0,0,0|2,0,1]=4 4226 B16R0.1469 CCCCCC(C)OCCCCCOC(=O)C 34a_100011215632_100000033007 [0,1,0,0,0,0|3,0,0]=4 4227 B16R0.1469 CCCCCC(C)OCCCCCOC(=O)C 7a_100011215632_100000033007 [0,1,0,0,0,0|3,0,0]=4 4228 B16R0.1469 CCCCCC(C)SCCCCCCB(O)O 62a_100009817187_200011218191 [0,1,0,0,0,0|2,0,1]=4 4229 B16R0.1469 CCCCCC(C)SCCCCCCB(O)O 62a_200011218191_100009817187 [0,1,0,0,0,0|2,0,1]=4 4230 B16R0.1469 CCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011218191 [0,1,0,0,0,0|3,0,0]=4 4231 B16R0.1469 CCCCCC(C)SCCCCCOC(=O)C 62a_200011218191_100000033007 [0,1,0,0,0,0|3,0,0]=4 4232 B16R0.1469 NCCCC[C@H](N)COCCCCCC(=O)N 34a_100016993712_100009817443 [0,1,0,0,0,0|3,0,0]=4 4233 B16R0.1820 CC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000735457 [0,1,0,0,0,0|2,0,1]=4 4234 B16R0.1820 CCCCCCCCC(=O)CCCCB(O)O 1458a_100000210188_200009817182 [0,1,0,0,0,0|1,0,2]=4 4235 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [0,1,0,0,0,0|1,0,1]=3 4236 B16R0.1820 CCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210759 [0,1,0,0,0,0|2,0,1]=4 4237 B16R0.1820 CCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210188_100000042594 [0,1,0,0,0,0|2,0,1]=4 4238 B16R0.1820 CCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210188_100000038929 [0,1,0,0,0,0|2,0,1]=4 4239 B16R0.1820 CCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210188_100000076697 [0,1,0,0,0,0|2,0,1]=4 4240 B16R0.1820 CCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210759 [0,1,0,0,0,0|2,0,1]=4 4241 B16R0.1820 CCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210188 [0,1,0,0,0,0|2,0,1]=4 4242 B16R0.1820 CCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210188 [0,1,0,0,0,0|2,0,1]=4 4243 B16R0.1820 CCCCCCCCC(C)CNCCC(C)O 270004a_200000755665_100011995885 [0,1,0,0,0,0|2,0,1]=4 4244 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [0,1,0,0,0,0|2,0,0]=3 4245 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [0,1,0,0,0,0|2,0,0]=3 4246 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [0,1,0,0,0,0|2,0,0]=3 4247 B16R0.1820 CCCCCCCCC(C)COCCC(C)O 34a_200012125181_100012276601 [0,1,0,0,0,0|2,0,1]=4 4248 B16R0.1820 CCCCCCCCC(C)COCCC(C)O 7a_200012125181_100012276601 [0,1,0,0,0,0|2,0,1]=4 4249 B16R0.1820 CCCCCCCCC(C)COCOC(=O)C 34a_200012125181_100009813279 [0,1,0,0,0,0|3,0,0]=4 4250 B16R0.1820 CCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100011216694 [0,1,0,0,0,0|3,0,0]=4 4251 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [0,1,0,0,0,0|2,0,0]=3 4252 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [0,1,0,0,0,0|2,0,0]=3 4253 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [0,1,0,0,0,0|2,0,0]=3 4254 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [0,1,0,0,0,0|2,0,0]=3 4255 B16R0.1820 CCCCCCCCC(C)OCCCC(C)O 34a_100000210740_200000718107 [0,1,0,0,0,0|2,0,1]=4 4256 B16R0.1820 CCCCCCCCC(C)OCCCC(C)O 7a_100000210740_200000718107 [0,1,0,0,0,0|2,0,1]=4 4257 B16R0.1820 CCCCCCCCC(C)OCCNC(=O)C 7a_100000210740_100000189650 [0,1,0,0,0,0|3,0,0]=4 4258 B16R0.1820 CCCCCCCCC(C)OCCNC(=O)N 7a_100000210740_200000034859 [0,1,0,0,0,0|3,0,0]=4 4259 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)C 34a_100000210740_100009814007 [0,1,0,0,0,0|3,0,0]=4 4260 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)C 7a_100000210740_100009814007 [0,1,0,0,0,0|3,0,0]=4 4261 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)N 34a_100000210740_200011214921 [0,1,0,0,0,0|3,0,0]=4 4262 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)N 7a_100000210740_200011214921 [0,1,0,0,0,0|3,0,0]=4 4263 B16R0.1820 CCCCCCCCN(C)CCCCB(O)O 2230a_100000207567_200009817182 [0,1,0,0,0,0|2,0,1]=4 4264 B16R0.1820 CCCCCCCCN(C)CCCCB(O)O 269982a_100000207567_200009817182 [0,1,0,0,0,0|2,0,1]=4 4265 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [0,1,0,0,0,0|2,0,0]=3 4266 B16R0.1820 CCCCCCCCN(C)CCCOC(=O)C 269982a_100000207567_100000042594 [0,1,0,0,0,0|3,0,0]=4 4267 B16R0.1820 CCCCCCCCN(C)CCCSC(=O)C 2230a_100000207567_100000038929 [0,1,0,0,0,0|3,0,0]=4 4268 B16R0.1820 CCCCCCCCN(C)CCCSC(=O)C 269982a_100000207567_100000038929 [0,1,0,0,0,0|3,0,0]=4 4269 B16R0.1820 CCCCCCCCN(C)CCOCC(=O)N 2230a_100000207567_100000076697 [0,1,0,0,0,0|3,0,0]=4 4270 B16R0.1820 CCCCCCCCN(C)CCOCC(=O)N 269982a_100000207567_100000076697 [0,1,0,0,0,0|3,0,0]=4 4271 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [0,1,0,0,0,0|1,0,1]=3 4272 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [0,1,0,0,0,0|1,0,2]=4 4273 B16R0.3183 CCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210319 [0,1,0,0,0,0|1,0,2]=4 4274 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210319 [0,1,0,0,0,0|2,0,1]=4 4275 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210319 [0,1,0,0,0,0|2,0,1]=4 4276 B16R0.3183 CCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210319 [0,1,0,0,0,0|2,0,1]=4 4277 B16R0.3183 CCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210319 [0,1,0,0,0,0|2,0,1]=4 4278 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210375 [0,1,0,0,0,0|2,0,1]=4 4279 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210375 [0,1,0,0,0,0|2,0,1]=4 4280 B16R0.3183 CCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_200011219864 [0,1,0,0,0,0|2,0,1]=4 4281 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [0,1,0,0,0,0|2,0,0]=3 4282 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [0,1,0,0,0,0|2,0,0]=3 4283 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [0,1,0,0,0,0|1,0,1]=3 4284 B16R0.3183 CCCCCCCCCCC(C)OCC(C)O 34a_100011215000_100011218427 [0,1,0,0,0,0|2,0,1]=4 4285 B16R0.3183 CCCCCCCCCCC(C)OCC(C)O 7a_100011215000_100011218427 [0,1,0,0,0,0|2,0,1]=4 4286 B16R0.3183 CCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011215000_100009817552 [0,1,0,0,0,0|2,0,1]=4 4287 B16R0.3183 CCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011215000_100009817552 [0,1,0,0,0,0|2,0,1]=4 4288 B16R0.3183 CCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011215000_100000761209 [0,1,0,0,0,0|2,0,1]=4 4289 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [0,1,0,0,0,0|2,0,0]=3 4290 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [0,1,0,0,0,0|2,0,0]=3 4291 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [0,1,0,0,0,0|2,0,0]=3 4292 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [0,1,0,0,0,0|2,0,0]=3 4293 B16R0.3183 CCCCCCCCCCN(C)CCC(C)O 2230a_100000207566_100012276601 [0,1,0,0,0,0|2,0,1]=4 4294 B16R0.3183 CCCCCCCCCCN(C)CCC(C)O 269982a_100000207566_100012276601 [0,1,0,0,0,0|2,0,1]=4 4295 B16R0.3183 CCCCCCCCCCN(C)COC(=O)C 269982a_100000207566_100000076356 [0,1,0,0,0,0|3,0,0]=4 4296 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 240690a_100000212291_100011215257 [0,1,0,0,0,0|2,0,1]=4 4297 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 527a_100000212291_100011215257 [0,1,0,0,0,0|2,0,1]=4 4298 B16R0.3183 CCCCCCCCCNC(C)COC(=O)C 270004a_100000212291_100000000629 [0,1,0,0,0,0|3,0,0]=4 4299 B16R0.3183 CCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210759 [0,1,0,0,0,0|2,0,1]=4 4300 B16R0.3183 CCCCCCCCNCC(C)CSC(=O)C 2230a_100000229939_200000116872 [0,1,0,0,0,0|3,0,0]=4 4301 B16R0.3183 CCCCCCCCNCC(C)CSC(=O)C 34a_100000229939_200000116872 [0,1,0,0,0,0|3,0,0]=4 4302 B16R0.3183 CCCCCCCCNCC(O)COC(=O)C 34a_100000229939_200000139349 [0,1,0,0,0,0|3,0,0]=4 4303 B16R0.3183 CCCCCCCCOCC(C)CSC(=O)C 34a_100000210232_200000116872 [0,1,0,0,0,0|3,0,0]=4 4304 B16R0.3183 CCCCCCCCOCC(C)CSC(=O)C 7a_100000210232_200000116872 [0,1,0,0,0,0|3,0,0]=4 4305 B16R0.3183 CCCCCCCCOCC(O)COC(=O)C 34a_100000210232_200000139349 [0,1,0,0,0,0|3,0,0]=4 4306 B16R0.3183 CCCCCCCCOCC(O)COC(=O)C 7a_100000210232_200000139349 [0,1,0,0,0,0|3,0,0]=4 4307 B16R0.3183 CCCCCCCCSCC(O)COC(=O)C 62a_100000210759_200000139349 [0,1,0,0,0,0|3,0,0]=4 4308 B16R0.3183 CCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210317 [0,1,0,0,0,0|3,0,0]=4 4309 B16R0.3183 CCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210614 [0,1,0,0,0,0|2,0,1]=4 4310 B16R0.3183 CN(CCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009813782 [0,1,0,0,0,0|3,0,0]=4 4311 B16R0.3183 NC(=O)CCC(=O)CCCCCCCCCO 1458a_100011215257_100009813782 [0,1,0,0,0,0|2,0,1]=4 4312 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [0,1,0,0,0,0|2,0,0]=3 4313 B16R0.3288 CC(=O)CCCCOCCCCCNC(C)C 34a_100011629493_100009817362 [0,1,0,0,0,0|3,0,0]=4 4314 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [0,1,0,0,0,0|2,0,0]=3 4315 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [0,1,0,0,0,0|2,0,0]=3 4316 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)C 2230a_200011996284_100011214892 [0,1,0,0,0,0|3,0,0]=4 4317 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)C 34a_200011996284_100011214892 [0,1,0,0,0,0|3,0,0]=4 4318 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)O 2230a_200011996284_200000718107 [0,1,0,0,0,0|3,0,0]=4 4319 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)O 34a_200011996284_200000718107 [0,1,0,0,0,0|3,0,0]=4 4320 B16R0.3288 CC(=O)NCCCCCNCCCCC(C)C 2230a_200012022750_100011216152 [0,1,0,0,0,0|3,0,0]=4 4321 B16R0.3288 CC(=O)NCCCCCNCCCCC(C)C 34a_200012022750_100011216152 [0,1,0,0,0,0|3,0,0]=4 4322 B16R0.3288 CC(=O)NCCCCNCCCCCC(C)C 2230a_200011368371_100000210682 [0,1,0,0,0,0|3,0,0]=4 4323 B16R0.3288 CC(=O)NCCCCNCCCCCC(C)C 34a_200011368371_100000210682 [0,1,0,0,0,0|3,0,0]=4 4324 B16R0.3288 CC(=O)NCCOCCCCCCCC(C)C 7a_200000210741_100000189650 [0,1,0,0,0,0|3,0,0]=4 4325 B16R0.3288 CC(=O)OCCCCCOCCCCC(C)C 34a_100011214890_100000033007 [0,1,0,0,0,0|3,0,0]=4 4326 B16R0.3288 CC(=O)OCCCCCOCCCCC(C)C 7a_100011214890_100000033007 [0,1,0,0,0,0|3,0,0]=4 4327 B16R0.3288 CC(=O)OCCCCCSCCCCC(C)C 62a_100000033007_100011216152 [0,1,0,0,0,0|3,0,0]=4 4328 B16R0.3288 CC(=O)OCCCCCSCCCCC(C)C 62a_100011216152_100000033007 [0,1,0,0,0,0|3,0,0]=4 4329 B16R0.3288 CC(=O)OCCCCNCCCCCC(C)C 34a_100011290863_100000033659 [0,1,0,0,0,0|3,0,0]=4 4330 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 34a_100000073216_100000210682 [0,1,0,0,0,0|3,0,0]=4 4331 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 34a_100011995859_100000033659 [0,1,0,0,0,0|3,0,0]=4 4332 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 7a_100000073216_100000210682 [0,1,0,0,0,0|3,0,0]=4 4333 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 7a_100011995859_100000033659 [0,1,0,0,0,0|3,0,0]=4 4334 B16R0.3288 CC(=O)OCCCCSCCCCCC(C)C 62a_100000033659_100000210682 [0,1,0,0,0,0|3,0,0]=4 4335 B16R0.3288 CC(=O)OCCCCSCCCCCC(C)C 62a_100000210682_100000033659 [0,1,0,0,0,0|3,0,0]=4 4336 B16R0.3288 CC(=O)OCCCNCCCCCCC(C)C 34a_100000211014_100000042594 [0,1,0,0,0,0|3,0,0]=4 4337 B16R0.3288 CC(=O)OCCOCCCCCCCC(C)C 34a_200000210741_100009814007 [0,1,0,0,0,0|3,0,0]=4 4338 B16R0.3288 CC(=O)OCCOCCCCCCCC(C)C 7a_200000210741_100009814007 [0,1,0,0,0,0|3,0,0]=4 4339 B16R0.3288 CC(=O)SCCCCNCCCCCC(C)C 2230a_100011290863_200010402107 [0,1,0,0,0,0|3,0,0]=4 4340 B16R0.3288 CC(=O)SCCCCNCCCCCC(C)C 34a_100011290863_200010402107 [0,1,0,0,0,0|3,0,0]=4 4341 B16R0.3288 CC(=O)SCCCCOCCCCCC(C)C 34a_100011995859_200010402107 [0,1,0,0,0,0|3,0,0]=4 4342 B16R0.3288 CC(=O)SCCCCOCCCCCC(C)C 7a_100011995859_200010402107 [0,1,0,0,0,0|3,0,0]=4 4343 B16R0.3288 CC(=O)SCCCNCCCCCCC(C)C 2230a_100000211014_100000038929 [0,1,0,0,0,0|3,0,0]=4 4344 B16R0.3288 CC(=O)SCCCNCCCCCCC(C)C 34a_100000211014_100000038929 [0,1,0,0,0,0|3,0,0]=4 4345 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [0,1,0,0,0,0|2,0,0]=3 4346 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [0,1,0,0,0,0|2,0,0]=3 4347 B16R0.3288 CC(C)CCCCCCCOCCCC(C)O 34a_200000210741_200000718107 [0,1,0,0,0,0|2,0,1]=4 4348 B16R0.3288 CC(C)CCCCCCCOCCCC(C)O 7a_200000210741_200000718107 [0,1,0,0,0,0|2,0,1]=4 4349 B16R0.3288 CC(C)CCCCCCCOCCNC(=O)N 7a_200000210741_200000034859 [0,1,0,0,0,0|3,0,0]=4 4350 B16R0.3288 CC(C)CCCCCCCOCCOC(=O)N 34a_200000210741_200011214921 [0,1,0,0,0,0|3,0,0]=4 4351 B16R0.3288 CC(C)CCCCCCCOCCOC(=O)N 7a_200000210741_200011214921 [0,1,0,0,0,0|3,0,0]=4 4352 B16R0.3288 CC(C)CCCCCCNCCCCB(O)O 2230a_100000211014_200009817182 [0,1,0,0,0,0|2,0,1]=4 4353 B16R0.3288 CC(C)CCCCCCNCCCCB(O)O 34a_100000211014_200009817182 [0,1,0,0,0,0|2,0,1]=4 4354 B16R0.3288 CC(C)CCCCCCNCCOCC(=O)N 2230a_100000211014_100000076697 [0,1,0,0,0,0|3,0,0]=4 4355 B16R0.3288 CC(C)CCCCCCNCCOCC(=O)N 34a_100000211014_100000076697 [0,1,0,0,0,0|3,0,0]=4 4356 B16R0.3288 CC(C)CCCCCNCCCCCB(O)O 2230a_100011290863_200009817188 [0,1,0,0,0,0|2,0,1]=4 4357 B16R0.3288 CC(C)CCCCCNCCCCCB(O)O 34a_100011290863_200009817188 [0,1,0,0,0,0|2,0,1]=4 4358 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [0,1,0,0,0,0|2,0,0]=3 4359 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [0,1,0,0,0,0|2,0,0]=3 4360 B16R0.3288 CC(C)CCCCCOCCCCCB(O)O 34a_100011995859_200009817188 [0,1,0,0,0,0|2,0,1]=4 4361 B16R0.3288 CC(C)CCCCCOCCCCCB(O)O 7a_100011995859_200009817188 [0,1,0,0,0,0|2,0,1]=4 4362 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [0,1,0,0,0,0|2,0,0]=3 4363 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [0,1,0,0,0,0|2,0,0]=3 4364 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [0,1,0,0,0,0|2,0,0]=3 4365 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [0,1,0,0,0,0|2,0,0]=3 4366 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [0,1,0,0,0,0|1,0,1]=3 4367 B16R0.3288 CC(C)CCCCCSCCCCCB(O)O 62a_100000210682_200009817188 [0,1,0,0,0,0|2,0,1]=4 4368 B16R0.3288 CC(C)CCCCCSCCCCCB(O)O 62a_200009817188_100000210682 [0,1,0,0,0,0|2,0,1]=4 4369 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [0,1,0,0,0,0|2,0,0]=3 4370 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [0,1,0,0,0,0|2,0,0]=3 4371 B16R0.3288 CC(C)CCCCOCCCCCCB(O)O 34a_100011214890_100009817187 [0,1,0,0,0,0|2,0,1]=4 4372 B16R0.3288 CC(C)CCCCOCCCCCCB(O)O 7a_100011214890_100009817187 [0,1,0,0,0,0|2,0,1]=4 4373 B16R0.3288 CC(C)CCCCSCCCCCCB(O)O 62a_100009817187_100011216152 [0,1,0,0,0,0|2,0,1]=4 4374 B16R0.3288 CC(C)CCCCSCCCCCCB(O)O 62a_100011216152_100009817187 [0,1,0,0,0,0|2,0,1]=4 4375 B16R0.3288 CC(C)CCCNCCOCCOCC(=O)O 269956a_100009854275_100011214892 [0,1,0,0,0,0|3,0,0]=4 4376 B16R0.3288 CC(C)COCCCNCCCCCC(=O)N 2230a_100000205972_100009817443 [0,1,0,0,0,0|3,0,0]=4 4377 B16R0.3288 CC(C)COCCCNCCCCCC(=O)N 34a_100000205972_100009817443 [0,1,0,0,0,0|3,0,0]=4 4378 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [0,1,0,0,0,0|2,0,0]=3 4379 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [0,1,0,0,0,0|2,0,0]=3 4380 B16R0.3288 CC(C)NCCCCOCCCCCC(=O)N 34a_100011521146_100009817443 [0,1,0,0,0,0|3,0,0]=4 4381 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [0,1,0,0,0,0|2,0,0]=3 4382 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [0,1,0,0,0,0|2,0,0]=3 4383 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [0,1,0,0,0,0|2,0,0]=3 4384 B16R0.3288 CC(O)CCCNCCOCCOCC(=O)O 269956a_100009854275_200000718107 [0,1,0,0,0,0|3,0,0]=4 4385 B16R1.27 CCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100011214924 [0,0,0,1,0,0|2,0,1]=4 4386 B16R1.27 CCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210670 [0,0,0,1,0,0|2,0,1]=4 4387 B16R1.27 CCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011214924 [0,0,0,1,0,0|3,0,0]=4 4388 B16R1.27 CCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011214924 [0,0,0,1,0,0|3,0,0]=4 4389 B16R1.27 CCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210759 [0,0,0,1,0,0|2,0,1]=4 4390 B16R1.27 CCCCCCCCNC1CCCC(C1)O 270004a_100000229939_100012613340 [0,0,0,1,0,0|2,0,1]=4 4391 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210759 [0,0,0,1,0,0|3,0,0]=4 4392 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210759 [0,0,0,1,0,0|3,0,0]=4 4393 B16R1.27 CCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210759 [0,0,0,1,0,0|3,0,0]=4 4394 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,0,0,1,0,0|2,0,0]=3 4395 B16R1.27 CCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210759 [0,0,0,1,0,0|3,0,0]=4 4396 B16R1.27 CCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210681 [0,0,0,1,0,0|2,0,1]=4 4397 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [0,0,0,1,0,0|2,0,0]=3 4398 B16R1.27 CCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210614 [0,0,0,1,0,0|3,0,0]=4 4399 B16R1.27 CCCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210614 [0,0,0,1,0,0|3,0,0]=4 4400 B16R1.27 CCCCOCCOCC1CCCC(=O)N1 34a_200000102386_100000743108 [0,0,0,1,0,0|3,0,0]=4 4401 B16R1.27 COCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011998445 [0,0,0,1,0,0|3,0,0]=4 4402 B16R1.27 O=C1CCCC(C1)OCCCCCCCO 34a_100012613340_100000760002 [0,0,0,1,0,0|3,0,0]=4 4403 B16R1.27 O=C1CCCC(N1)COCCCCCCF 34a_200000102386_100015922095 [0,0,0,1,0,0|3,0,0]=4 4404 B16R1.27 O=C1CCCC(N1)COCCCCCCO 34a_200000102386_100000766143 [0,0,0,1,0,0|3,0,0]=4 4405 B16R1.57 CC(=O)CCCCOC1CCCCC1CN 34a_100011216029_100009817362 [0,0,0,1,0,0|3,0,0]=4 4406 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [0,0,0,1,0,0|2,0,0]=3 4407 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [0,0,0,1,0,0|2,0,0]=3 4408 B16R1.57 CCC1CCCCC1NCCCNC(=O)C 269862a_100000736810_100000757040 [0,0,0,1,0,0|3,0,0]=4 4409 B16R1.57 CCC1CCCCC1NCCCNC(=O)C 270004a_100000736810_100000757040 [0,0,0,1,0,0|3,0,0]=4 4410 B16R1.57 CCC1CCCCC1OCCCCB(O)O 34a_100000210738_200009817182 [0,0,0,1,0,0|2,0,1]=4 4411 B16R1.57 CCC1CCCCC1OCCCCB(O)O 7a_100000210738_200009817182 [0,0,0,1,0,0|2,0,1]=4 4412 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [0,0,0,1,0,0|2,0,0]=3 4413 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [0,0,0,1,0,0|2,0,0]=3 4414 B16R1.57 CCC1CCCCC1OCCCOC(=O)C 34a_100000210738_100000042594 [0,0,0,1,0,0|3,0,0]=4 4415 B16R1.57 CCC1CCCCC1OCCCOC(=O)C 7a_100000210738_100000042594 [0,0,0,1,0,0|3,0,0]=4 4416 B16R1.57 CCC1CCCCC1OCCCSC(=O)C 34a_100000210738_100000038929 [0,0,0,1,0,0|3,0,0]=4 4417 B16R1.57 CCC1CCCCC1OCCCSC(=O)C 7a_100000210738_100000038929 [0,0,0,1,0,0|3,0,0]=4 4418 B16R1.57 CCC1CCCCC1OCCOCC(=O)N 34a_100000210738_100000076697 [0,0,0,1,0,0|3,0,0]=4 4419 B16R1.57 CCC1CCCCC1OCCOCC(=O)N 7a_100000210738_100000076697 [0,0,0,1,0,0|3,0,0]=4 4420 B16R1.57 CCC1CCCCN1CCCCCB(O)O 2230a_100000210034_200009817188 [0,0,0,1,0,0|2,0,1]=4 4421 B16R1.57 CCC1CCCCN1CCCCCB(O)O 269982a_100000210034_200009817188 [0,0,0,1,0,0|2,0,1]=4 4422 B16R1.57 CCC1CCCCN1CCCCCB(O)O 34a_100000210034_200009817188 [0,0,0,1,0,0|2,0,1]=4 4423 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [0,0,0,1,0,0|2,0,0]=3 4424 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [0,0,0,1,0,0|2,0,0]=3 4425 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [0,0,0,1,0,0|2,0,0]=3 4426 B16R1.57 CCC1CCCCN1CCCCOC(=O)C 269982a_100000210034_100000033659 [0,0,0,1,0,0|3,0,0]=4 4427 B16R1.57 CCC1CCCCN1CCCCOC(=O)C 34a_100000210034_100000033659 [0,0,0,1,0,0|3,0,0]=4 4428 B16R1.57 CCC1CCCCN1CCCCSC(=O)C 2230a_100000210034_200010402107 [0,0,0,1,0,0|3,0,0]=4 4429 B16R1.57 CCC1CCCCN1CCCCSC(=O)C 269982a_100000210034_200010402107 [0,0,0,1,0,0|3,0,0]=4 4430 B16R1.57 CCC1CCCCN1CCCCSC(=O)C 34a_100000210034_200010402107 [0,0,0,1,0,0|3,0,0]=4 4431 B16R1.57 CCC1CCCCN1CCCNCC(=O)N 34a_100011191702_100000187820 [0,0,0,1,0,0|3,0,0]=4 4432 B16R1.57 CCC1CCCCN1CCCNCC(=O)[O-] 34a_100011191702_100020667443 [0,0,0,1,0,0|2,0,1]=4 4433 B16R1.57 CCC1CCCCN1CCNCCC(=O)N 2230a_100000755458_100000744528 [0,0,0,1,0,0|3,0,0]=4 4434 B16R1.57 CCC1CCCCN1CCNCCC(=O)N 34a_100000755458_100000731001 [0,0,0,1,0,0|3,0,0]=4 4435 B16R1.57 CCN1CCCCC1CNCCCC(=O)C 34a_100000754393_100000685027 [0,0,0,1,0,0|3,0,0]=4 4436 B16R1.57 CCN1CCCCC1CNCCCC(=O)N 34a_100000754393_100102525003 [0,0,0,1,0,0|3,0,0]=4 4437 B16R1.57 CCN1CCCCC1COCCCC(=O)C 34a_100000225091_100000685027 [0,0,0,1,0,0|3,0,0]=4 4438 B16R1.57 CCN1CCCCC1COCCCC(=O)C 7a_100000225091_100011215641 [0,0,0,1,0,0|3,0,0]=4 4439 B16R1.57 CCN1CCCCC1COCCCC(=O)N 34a_100000225091_100102525003 [0,0,0,1,0,0|3,0,0]=4 4440 B16R1.57 CCN1CCCCC1COCCCC(=O)N 7a_100000225091_100102525003 [0,0,0,1,0,0|3,0,0]=4 4441 B16R1.57 CC[C@H]1COCCN1CCCCCC(=O)N 2230a_100016988097_100009817443 [0,0,0,1,0,0|3,0,0]=4 4442 B16R1.57 CC[C@H]1COCCN1CCCCCC(=O)N 269982a_100016988097_100009817443 [0,0,0,1,0,0|3,0,0]=4 4443 B16R1.57 CC[C@H]1COCCN1CCCCCC(=O)N 34a_100016988097_100009817443 [0,0,0,1,0,0|3,0,0]=4 4444 B16R1.57 CN[C@@H]1CCCC[C@H]1OCCCCC(=O)C 34a_100000708425_100009817362 [0,0,0,1,0,0|3,0,0]=4 4445 B16R1.57 COC1CCCCC1NCCCCC(=O)C 34a_100011208099_100009817362 [0,0,0,1,0,0|3,0,0]=4 4446 B16R1.57 COC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000740605 [0,0,0,1,0,0|3,0,0]=4 4447 B16R1.57 CO[C@H]1CCCC[C@@H]1OCCCCC(=O)C 34a_200009815850_100009817362 [0,0,0,1,0,0|3,0,0]=4 4448 B16R1.57 CO[C@H]1CCCC[C@@H]1OCCCCC(=O)C 7a_200009815850_100000735457 [0,0,0,1,0,0|3,0,0]=4 4449 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 2230a_100000210821_100009817443 [0,0,0,1,0,0|3,0,0]=4 4450 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 269982a_100000210821_100009817443 [0,0,0,1,0,0|3,0,0]=4 4451 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 34a_100000210821_100009817443 [0,0,0,1,0,0|3,0,0]=4 4452 B16R1.57 NC(=O)CCCCNC1CCCCC1CO 270004a_100000696515_100009861125 [0,0,0,1,0,0|3,0,0]=4 4453 B16R1.250 C=C1CC(C1)CNCCCCCCCCC 2230a_100102567296_100011214924 [0,0,0,1,0,0|3,0,0]=4 4454 B16R1.250 C=C1CC(C1)CNCCCCCCCCC 34a_100102567296_100011214924 [0,0,0,1,0,0|3,0,0]=4 4455 B16R1.250 C=C1CC(C1)COCCCCCCCCC 34a_100011011225_100011214924 [0,0,0,1,0,0|3,0,0]=4 4456 B16R1.250 C=C1CC(C1)NCCCCCCCCCC 2230a_100132301982_100000210320 [0,0,0,1,0,0|3,0,0]=4 4457 B16R1.250 CCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100011215454 [0,0,0,1,0,0|2,0,1]=4 4458 B16R1.250 CCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210320 [0,0,0,1,0,0|2,0,1]=4 4459 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [0,0,0,1,0,0|2,0,0]=3 4460 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [0,0,0,1,0,0|2,0,0]=3 4461 B16R1.250 CCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100011214924 [0,0,0,1,0,0|2,0,1]=4 4462 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [0,0,0,1,0,0|2,0,0]=3 4463 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [0,0,0,1,0,0|2,0,0]=3 4464 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [0,0,0,1,0,0|2,0,0]=3 4465 B16R1.250 CCCCCCOCCOCC1CC(=O)C1 7a_100000691444_100009874392 [0,0,0,1,0,0|3,0,0]=4 4466 B16R1.250 CCCCOCCCCOCC1CC(=O)C1 7a_200000760531_100009874392 [0,0,0,1,0,0|3,0,0]=4 4467 B16R1.250 O=C1CC(C1)CNCCCCCCCCO 2230a_102515433106_100009874392 [0,0,0,1,0,0|3,0,0]=4 4468 B16R1.250 O=C1CC(C1)COCCCCCCCCBr 7a_100009813846_100009874392 [0,0,0,1,0,0|3,0,0]=4 4469 B16R1.250 O=C1CC(C1)COCCCCCCCCCl 7a_100000033203_100009874392 [0,0,0,1,0,0|3,0,0]=4 4470 B16R1.250 O=C1CC(C1)COCCCCCCCCO 34a_100000101936_100000033203 [0,0,0,1,0,0|3,0,0]=4 4471 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100000033203_100009874392 [0,0,0,1,0,0|3,0,0]=4 4472 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100009874392_100000033203 [0,0,0,1,0,0|3,0,0]=4 4473 B16R1.250 O=C1CC(C1)SCCCCCCCCCO 62a_100009894365_100009813782 [0,0,0,1,0,0|3,0,0]=4 4474 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [0,0,0,1,0,0|2,0,0]=3 4475 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [0,0,0,1,0,0|2,0,0]=3 4476 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [0,0,0,1,0,0|2,0,0]=3 4477 B16R1.270 CCCCOCN1CCCCC1CC(=O)N 2230a_100015184752_100011995733 [0,0,0,1,0,0|3,0,0]=4 4478 B16R1.270 CCCCOCN1CCCCC1CC(=O)N 269982a_100015184752_100011995733 [0,0,0,1,0,0|3,0,0]=4 4479 B16R1.270 CCCCOCN1CCCCC1CC(=O)N 34a_100015184752_100011995733 [0,0,0,1,0,0|3,0,0]=4 4480 B16R1.270 CCCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100011215938 [0,0,0,1,0,0|3,0,0]=4 4481 B16R1.270 CCCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100011215938 [0,0,0,1,0,0|3,0,0]=4 4482 B16R1.270 CCCOCCN1CCCCC1CC(=O)N 34a_100015184752_100011215938 [0,0,0,1,0,0|3,0,0]=4 4483 B16R1.270 CCOCCCN1CCCCC1CC(=O)N 2230a_100015184752_100012232248 [0,0,0,1,0,0|3,0,0]=4 4484 B16R1.270 CCOCCCN1CCCCC1CC(=O)N 269982a_100015184752_100012232248 [0,0,0,1,0,0|3,0,0]=4 4485 B16R1.270 CCOCCCN1CCCCC1CC(=O)N 34a_100015184752_100012232248 [0,0,0,1,0,0|3,0,0]=4 4486 B16R1.270 COCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000730899 [0,0,0,1,0,0|3,0,0]=4 4487 B16R1.270 COCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000730899 [0,0,0,1,0,0|3,0,0]=4 4488 B16R1.270 COCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000755781 [0,0,0,1,0,0|3,0,0]=4 4489 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 2230a_100015184752_100000729378 [0,0,0,1,0,0|3,0,0]=4 4490 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 269982a_100015184752_100000729378 [0,0,0,1,0,0|3,0,0]=4 4491 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 34a_100015184752_100000729378 [0,0,0,1,0,0|3,0,0]=4 4492 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 2230a_100015184752_100000746330 [0,0,0,1,0,0|3,0,0]=4 4493 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 269982a_100015184752_100000746330 [0,0,0,1,0,0|3,0,0]=4 4494 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 34a_100015184752_100000746330 [0,0,0,1,0,0|3,0,0]=4 4495 B16R1.283 CCCCCCC1CCCC1NCC(C)O 269862a_100000210904_100000189428 [0,0,0,1,0,0|2,0,1]=4 4496 B16R1.283 CCCCCCC1CCCC1NCC(C)O 270004a_100000210904_100000189428 [0,0,0,1,0,0|2,0,1]=4 4497 B16R1.290 CC(=O)CCCCNCC1CCCCC1O 34a_100011216029_100009817362 [0,0,0,1,0,0|3,0,0]=4 4498 B16R1.290 CC(=O)CCCCNCC1CCCCN1C 34a_100011228421_100009817362 [0,0,0,1,0,0|3,0,0]=4 4499 B16R1.290 CC(=O)CCCCOCC1CCCCN1C 34a_100000225079_100009817362 [0,0,0,1,0,0|3,0,0]=4 4500 B16R1.290 CC(=O)CCCCSCC1CCCCN1C 62a_100000735457_100015185383 [0,0,0,1,0,0|3,0,0]=4 4501 B16R1.290 CC(=O)CCCCSCC1CCCCN1C 62a_100015185383_100000735457 [0,0,0,1,0,0|3,0,0]=4 4502 B16R1.290 CC(=O)CCCNCCN1CCCCC1C 34a_100000739827_100000685027 [0,0,0,1,0,0|3,0,0]=4 4503 B16R1.290 CC(=O)CCCOCCC1CCCCN1C 34a_100000759063_100000211948 [0,0,0,1,0,0|3,0,0]=4 4504 B16R1.290 CC(=O)CCCOCCC1CCCCN1C 7a_100000759063_100000211948 [0,0,0,1,0,0|3,0,0]=4 4505 B16R1.290 CC(=O)CCCOCCN1CCCCC1C 34a_100011305533_100000685027 [0,0,0,1,0,0|3,0,0]=4 4506 B16R1.290 CC(=O)CCCSCCC1CCCCN1C 62a_100000211948_100011215641 [0,0,0,1,0,0|3,0,0]=4 4507 B16R1.290 CC(=O)CCCSCCC1CCCCN1C 62a_100011215641_100000211948 [0,0,0,1,0,0|3,0,0]=4 4508 B16R1.290 CC(=O)CCOCCCN1CCCCC1C 7a_100000213889_100000053229 [0,0,0,1,0,0|3,0,0]=4 4509 B16R1.290 CC(=O)NCCCCNC1CCCCC1C 269862a_200011368371_100000210921 [0,0,0,1,0,0|3,0,0]=4 4510 B16R1.290 CC(=O)NCCCCNC1CCCCC1C 270004a_200011368371_100000210921 [0,0,0,1,0,0|3,0,0]=4 4511 B16R1.290 CC(=O)OCCCCCN1CCCCC1C 2230a_100000211376_100009813381 [0,0,0,1,0,0|3,0,0]=4 4512 B16R1.290 CC(=O)OCCCCCN1CCCCC1C 269982a_100000211376_100000033007 [0,0,0,1,0,0|3,0,0]=4 4513 B16R1.290 CC(=O)OCCCCCN1CCCCC1C 34a_100000211376_100000033007 [0,0,0,1,0,0|3,0,0]=4 4514 B16R1.290 CC(=O)OCCCCNC1CCCCC1C 34a_100000211402_100000033659 [0,0,0,1,0,0|3,0,0]=4 4515 B16R1.290 CC(=O)OCCCCOC1CCCCC1C 34a_100000211207_100000033659 [0,0,0,1,0,0|3,0,0]=4 4516 B16R1.290 CC(=O)OCCCCOC1CCCCC1C 7a_100000211207_100000033659 [0,0,0,1,0,0|3,0,0]=4 4517 B16R1.290 CC(=O)SCCCCNC1CCCCC1C 2230a_100000211402_200010402107 [0,0,0,1,0,0|3,0,0]=4 4518 B16R1.290 CC(=O)SCCCCNC1CCCCC1C 34a_100000211402_200010402107 [0,0,0,1,0,0|3,0,0]=4 4519 B16R1.290 CC(=O)SCCCCOC1CCCCC1C 34a_100000211207_200010402107 [0,0,0,1,0,0|3,0,0]=4 4520 B16R1.290 CC(=O)SCCCCOC1CCCCC1C 7a_100000211207_200010402107 [0,0,0,1,0,0|3,0,0]=4 4521 B16R1.290 CC1CCCCC1NCCCCCB(O)O 2230a_100000211402_200009817188 [0,0,0,1,0,0|2,0,1]=4 4522 B16R1.290 CC1CCCCC1NCCCCCB(O)O 34a_100000211402_200009817188 [0,0,0,1,0,0|2,0,1]=4 4523 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [0,0,0,1,0,0|2,0,0]=3 4524 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [0,0,0,1,0,0|2,0,0]=3 4525 B16R1.290 CC1CCCCC1OCCCCCB(O)O 34a_100000211207_200009817188 [0,0,0,1,0,0|2,0,1]=4 4526 B16R1.290 CC1CCCCC1OCCCCCB(O)O 7a_100000211207_200009817188 [0,0,0,1,0,0|2,0,1]=4 4527 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [0,0,0,1,0,0|2,0,0]=3 4528 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [0,0,0,1,0,0|2,0,0]=3 4529 B16R1.290 CC1CCCCN1CCCCCCB(O)O 2230a_100000211376_100009817187 [0,0,0,1,0,0|2,0,1]=4 4530 B16R1.290 CC1CCCCN1CCCCCCB(O)O 269982a_100000211376_100009817187 [0,0,0,1,0,0|2,0,1]=4 4531 B16R1.290 CC1CCCCN1CCCCCCB(O)O 34a_100000211376_100009817187 [0,0,0,1,0,0|2,0,1]=4 4532 B16R1.290 CC1CCCCN1CCCNCCC(=O)N 34a_100000212276_100000731001 [0,0,0,1,0,0|3,0,0]=4 4533 B16R1.290 CC1CCCCN1CCCOCCC(=O)N 34a_100000213889_100000731001 [0,0,0,1,0,0|3,0,0]=4 4534 B16R1.290 CC1CCCCN1CCCOCCC(=O)N 7a_100000213889_100000744528 [0,0,0,1,0,0|3,0,0]=4 4535 B16R1.290 CC1CCCCN1CCNCCCC(=O)N 34a_100000739827_100102525003 [0,0,0,1,0,0|3,0,0]=4 4536 B16R1.290 CC1CCCCN1CCOCCCC(=O)N 34a_100011305533_100102525003 [0,0,0,1,0,0|3,0,0]=4 4537 B16R1.290 CC1CCNCC1OCCCCCC(=O)N 34a_100000696640_100009817443 [0,0,0,1,0,0|3,0,0]=4 4538 B16R1.290 CC1CNCCC1OCCCCCC(=O)N 34a_100011998114_100009817443 [0,0,0,1,0,0|3,0,0]=4 4539 B16R1.290 CN1CCCCC1CCNCCCC(=O)N 34a_100000739312_100000211948 [0,0,0,1,0,0|3,0,0]=4 4540 B16R1.290 CN1CCCCC1CCSCCCC(=O)N 62a_100000211948_100102525003 [0,0,0,1,0,0|3,0,0]=4 4541 B16R1.290 CN1CCCCC1CCSCCCC(=O)N 62a_100102525003_100000211948 [0,0,0,1,0,0|3,0,0]=4 4542 B16R1.290 CN1CCCCC1CNCCCCC(=O)N 34a_100000696515_100015186950 [0,0,0,1,0,0|3,0,0]=4 4543 B16R1.290 CN1CCCCC1CNCCOCC(=O)O 269956a_100000700818_100015185383 [0,0,0,1,0,0|3,0,0]=4 4544 B16R1.290 CN1CCCCC1COCCCCC(=O)N 34a_100012022536_100015186950 [0,0,0,1,0,0|3,0,0]=4 4545 B16R1.290 CN1CCCCC1COCCCCC(=O)N 7a_100012022536_100015185383 [0,0,0,1,0,0|3,0,0]=4 4546 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817443 [0,0,0,1,0,0|3,0,0]=4 4547 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817443 [0,0,0,1,0,0|3,0,0]=4 4548 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 34a_100000038908_100009817443 [0,0,0,1,0,0|3,0,0]=4 4549 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 7a_100000038908_100009817443 [0,0,0,1,0,0|3,0,0]=4 4550 B16R1.290 NC(=O)CCCCCOC1CCCCC1F 34a_100000123541_100015423560 [0,0,0,1,0,0|3,0,0]=4 4551 B16R1.290 NC(=O)CCCCCOC1CCCCC1O 34a_100000123541_100000038908 [0,0,0,1,0,0|3,0,0]=4 4552 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817443 [0,0,0,1,0,0|3,0,0]=4 4553 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009817443 [0,0,0,1,0,0|3,0,0]=4 4554 B16R1.290 NC(=O)CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817443 [0,0,0,1,0,0|3,0,0]=4 4555 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100009817443_100015423560 [0,0,0,1,0,0|3,0,0]=4 4556 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100015423560_100009817443 [0,0,0,1,0,0|3,0,0]=4 4557 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100000038908_100009817443 [0,0,0,1,0,0|3,0,0]=4 4558 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100009817443_100000038908 [0,0,0,1,0,0|3,0,0]=4 4559 B16R1.394 CC(=O)CCCCOCCC1CCCN1C 34a_100011215177_100009817362 [0,0,0,1,0,0|3,0,0]=4 4560 B16R1.394 CC(=O)CCCCOCCC1CCCN1C 7a_100011215177_100000735457 [0,0,0,1,0,0|3,0,0]=4 4561 B16R1.394 CC(=O)CCCCSCCC1CCCN1C 62a_100000005710_100000735457 [0,0,0,1,0,0|3,0,0]=4 4562 B16R1.394 CC(=O)CCCCSCCC1CCCN1C 62a_100000735457_100000005710 [0,0,0,1,0,0|3,0,0]=4 4563 B16R1.394 CC(=O)NCCCCCNC1CCCC1C 269862a_200012022750_100000752053 [0,0,0,1,0,0|3,0,0]=4 4564 B16R1.394 CC(=O)OCCCCCOC1CCCC1C 34a_100011216460_100000033007 [0,0,0,1,0,0|3,0,0]=4 4565 B16R1.394 CC(=O)OCCCCCOC1CCCC1C 7a_100011216460_100000033007 [0,0,0,1,0,0|3,0,0]=4 4566 B16R1.394 CC1CCCC1OCCCCCCB(O)O 34a_100011216460_100009817187 [0,0,0,1,0,0|2,0,1]=4 4567 B16R1.394 CC1CCCC1OCCCCCCB(O)O 7a_100011216460_100009817187 [0,0,0,1,0,0|2,0,1]=4 4568 B16R1.394 CN1CCCC1CCNCCCCC(=O)N 34a_100000696515_100000005710 [0,0,0,1,0,0|3,0,0]=4 4569 B16R1.394 CN1CCCC1CCNCCOCC(=O)O 269956a_100000700818_100000005710 [0,0,0,1,0,0|3,0,0]=4 4570 B16R1.394 CN1CCCC1CCOCCCCC(=O)N 34a_100012022536_100000005710 [0,0,0,1,0,0|3,0,0]=4 4571 B16R1.394 CN1CCCC1CCOCCCCC(=O)N 7a_100012022536_100000005710 [0,0,0,1,0,0|3,0,0]=4 4572 B16R1.394 CN1CCCC1COCCCCCC(=O)N 34a_100000743107_100009817443 [0,0,0,1,0,0|3,0,0]=4 4573 B16R1.596 C=C(C)CCOCCCCC1CCCCC1 34a_100011215267_100000730704 [0,0,0,1,0,0|3,0,0]=4 4574 B16R1.596 C=C(C)CCOCCCCC1CCCCC1 7a_100011215267_100000730704 [0,0,0,1,0,0|3,0,0]=4 4575 B16R1.596 CC(=O)CCCCCCOC1CCCCO1 1458a_100000070787_100000033462 [0,0,0,1,0,0|3,0,0]=4 4576 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [0,0,0,1,0,0|2,0,0]=3 4577 B16R1.596 CC(=O)CCCCNCCC1CCCCO1 34a_100015183643_100009817362 [0,0,0,1,0,0|3,0,0]=4 4578 B16R1.596 CC(=O)CCCCNCCC1CCOCC1 34a_100000755988_100009817362 [0,0,0,1,0,0|3,0,0]=4 4579 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [0,0,0,1,0,0|2,0,0]=3 4580 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [0,0,0,1,0,0|2,0,0]=3 4581 B16R1.596 CC(=O)CCCCOCCC1CCCCN1 34a_100000211664_100009817362 [0,0,0,1,0,0|3,0,0]=4 4582 B16R1.596 CC(=O)CCCCOCCC1CCCNC1 34a_100000752241_100009817362 [0,0,0,1,0,0|3,0,0]=4 4583 B16R1.596 CC(=O)CCCCOCCC1CCNCC1 34a_100015190746_100009817362 [0,0,0,1,0,0|3,0,0]=4 4584 B16R1.596 CC(=O)CCCCOCCC1CCOCC1 34a_100011933979_100009817362 [0,0,0,1,0,0|3,0,0]=4 4585 B16R1.596 CC(=O)CCCCOCCC1CCOCC1 7a_100011933979_100000735457 [0,0,0,1,0,0|3,0,0]=4 4586 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [0,0,0,1,0,0|2,0,0]=3 4587 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [0,0,0,1,0,0|2,0,0]=3 4588 B16R1.596 CC(=O)CCCCSCCC1CCOCC1 62a_100000735457_100011934994 [0,0,0,1,0,0|3,0,0]=4 4589 B16R1.596 CC(=O)CCCCSCCC1CCOCC1 62a_100011934994_100000735457 [0,0,0,1,0,0|3,0,0]=4 4590 B16R1.596 CC(=O)CCCCSCCN1CCCCC1 62a_100000735457_100000739454 [0,0,0,1,0,0|3,0,0]=4 4591 B16R1.596 CC(=O)CCCCSCCN1CCCCC1 62a_100000739454_100000735457 [0,0,0,1,0,0|3,0,0]=4 4592 B16R1.596 CC(=O)CCCCSCOC1CCCCC1 62a_100000735457_100011935260 [0,0,0,1,0,0|3,0,0]=4 4593 B16R1.596 CC(=O)CCCCSCOC1CCCCC1 62a_100011935260_100000735457 [0,0,0,1,0,0|3,0,0]=4 4594 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [0,0,0,1,0,0|2,0,0]=3 4595 B16R1.596 CC(=O)CCCNCCOC1CCCCC1 34a_100015206981_100000685027 [0,0,0,1,0,0|3,0,0]=4 4596 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [0,0,0,1,0,0|2,0,0]=3 4597 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [0,0,0,1,0,0|2,0,0]=3 4598 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [0,0,0,1,0,0|2,0,0]=3 4599 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [0,0,0,1,0,0|2,0,0]=3 4600 B16R1.596 CC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100000685027 [0,0,0,1,0,0|3,0,0]=4 4601 B16R1.596 CC(=O)CCCOCCCC1CCCNC1 34a_100150707839_100000685027 [0,0,0,1,0,0|3,0,0]=4 4602 B16R1.596 CC(=O)CCCOCCCC1CCNCC1 34a_100016988962_100000685027 [0,0,0,1,0,0|3,0,0]=4 4603 B16R1.596 CC(=O)CCCOCCCN1CCCCC1 34a_100000212458_100000685027 [0,0,0,1,0,0|3,0,0]=4 4604 B16R1.596 CC(=O)CCCOCCCN1CCCCC1 34a_100000759063_100000690320 [0,0,0,1,0,0|3,0,0]=4 4605 B16R1.596 CC(=O)CCCOCCCN1CCCCC1 7a_100000759063_100000007876 [0,0,0,1,0,0|3,0,0]=4 4606 B16R1.596 CC(=O)CCCOCCNC1CCCCC1 34a_100000200466_100000685027 [0,0,0,1,0,0|3,0,0]=4 4607 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 34a_100000759063_100011211530 [0,0,0,1,0,0|3,0,0]=4 4608 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 34a_100011249652_100000685027 [0,0,0,1,0,0|3,0,0]=4 4609 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 7a_100000759063_100011211530 [0,0,0,1,0,0|3,0,0]=4 4610 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 7a_100011249652_100011215641 [0,0,0,1,0,0|3,0,0]=4 4611 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [0,0,0,1,0,0|2,0,0]=3 4612 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [0,0,0,1,0,0|2,0,0]=3 4613 B16R1.596 CC(=O)CCCSCCCN1CCCCC1 62a_100011215641_100000007876 [0,0,0,1,0,0|3,0,0]=4 4614 B16R1.596 CC(=O)CCCSCCCN1CCCCC1 62a_100132302099_100011215641 [0,0,0,1,0,0|3,0,0]=4 4615 B16R1.596 CC(=O)CCCSCCOC1CCCCC1 62a_100011211530_100011215641 [0,0,0,1,0,0|3,0,0]=4 4616 B16R1.596 CC(=O)CCCSCCOC1CCCCC1 62a_100011215641_100011211530 [0,0,0,1,0,0|3,0,0]=4 4617 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [0,0,0,1,0,0|2,0,0]=3 4618 B16R1.596 CC(=O)NCCCCCNC1CCCCC1 270004a_200012022750_100000210434 [0,0,0,1,0,0|3,0,0]=4 4619 B16R1.596 CC(=O)NCCCCCNC1CCCCC1 34a_200012022750_100000210327 [0,0,0,1,0,0|3,0,0]=4 4620 B16R1.596 CC(=O)NCCCCNCC1CCCCC1 2230a_200011368371_100000211423 [0,0,0,1,0,0|3,0,0]=4 4621 B16R1.596 CC(=O)NCCCCNCC1CCCCC1 269862a_200011368371_100000211278 [0,0,0,1,0,0|3,0,0]=4 4622 B16R1.596 CC(=O)NCCCCNCC1CCCCC1 34a_200011368371_100000211423 [0,0,0,1,0,0|3,0,0]=4 4623 B16R1.596 CC(=O)NCCCNCCC1CCCCC1 270004a_100000736810_100011713444 [0,0,0,1,0,0|3,0,0]=4 4624 B16R1.596 CC(=O)NCCCNCCC1CCCCC1 34a_100000736810_100011209188 [0,0,0,1,0,0|3,0,0]=4 4625 B16R1.596 CC(=O)NCCCOCCC1CCCCC1 34a_100000752032_100011209188 [0,0,0,1,0,0|3,0,0]=4 4626 B16R1.596 CC(=O)NCCNCCCC1CCCCC1 2230a_100000209853_100011713725 [0,0,0,1,0,0|3,0,0]=4 4627 B16R1.596 CC(=O)NCCNCCCC1CCCCC1 2230a_100011211642_100000189650 [0,0,0,1,0,0|3,0,0]=4 4628 B16R1.596 CC(=O)NCCOCCCC1CCCCC1 34a_100000158858_100011713725 [0,0,0,1,0,0|3,0,0]=4 4629 B16R1.596 CC(=O)NCCOCCCC1CCCCC1 7a_100000198086_100000189650 [0,0,0,1,0,0|3,0,0]=4 4630 B16R1.596 CC(=O)NCCSCCCC1CCCCC1 62a_100000189650_100011713725 [0,0,0,1,0,0|3,0,0]=4 4631 B16R1.596 CC(=O)NCCSCCCC1CCCCC1 62a_100011713725_100000189650 [0,0,0,1,0,0|3,0,0]=4 4632 B16R1.596 CC(=O)OCCCCCNC1CCCCC1 2230a_100000182618_100009813381 [0,0,0,1,0,0|3,0,0]=4 4633 B16R1.596 CC(=O)OCCCCCNC1CCCCC1 34a_100000182618_100000033007 [0,0,0,1,0,0|3,0,0]=4 4634 B16R1.596 CC(=O)OCCCCCOC1CCCCC1 34a_100000210231_100000033007 [0,0,0,1,0,0|3,0,0]=4 4635 B16R1.596 CC(=O)OCCCCCOC1CCCCC1 7a_100000210231_100000033007 [0,0,0,1,0,0|3,0,0]=4 4636 B16R1.596 CC(=O)OCCCCCSC1CCCCC1 62a_100000033007_100000210327 [0,0,0,1,0,0|3,0,0]=4 4637 B16R1.596 CC(=O)OCCCCCSC1CCCCC1 62a_100000210327_100000033007 [0,0,0,1,0,0|3,0,0]=4 4638 B16R1.596 CC(=O)OCCCCNCC1CCCCC1 34a_100000210473_100000033659 [0,0,0,1,0,0|3,0,0]=4 4639 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 34a_100000073216_100000211423 [0,0,0,1,0,0|3,0,0]=4 4640 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 34a_100000212181_100000033659 [0,0,0,1,0,0|3,0,0]=4 4641 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 7a_100000073216_100000211423 [0,0,0,1,0,0|3,0,0]=4 4642 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 7a_100000212181_100000033659 [0,0,0,1,0,0|3,0,0]=4 4643 B16R1.596 CC(=O)OCCCCSCC1CCCCC1 62a_100000033659_100000211423 [0,0,0,1,0,0|3,0,0]=4 4644 B16R1.596 CC(=O)OCCCCSCC1CCCCC1 62a_100000211423_100000033659 [0,0,0,1,0,0|3,0,0]=4 4645 B16R1.596 CC(=O)OCCCNCCC1CCCCC1 34a_100000738074_100000042594 [0,0,0,1,0,0|3,0,0]=4 4646 B16R1.596 CC(=O)OCCCOCCC1CCCCC1 34a_100011217863_100000042594 [0,0,0,1,0,0|3,0,0]=4 4647 B16R1.596 CC(=O)OCCCOCCC1CCCCC1 7a_100011217863_100000042594 [0,0,0,1,0,0|3,0,0]=4 4648 B16R1.596 CC(=O)OCCCSCCC1CCCCC1 62a_100000042594_100012355289 [0,0,0,1,0,0|3,0,0]=4 4649 B16R1.596 CC(=O)OCCCSCCC1CCCCC1 62a_100012355289_100000042594 [0,0,0,1,0,0|3,0,0]=4 4650 B16R1.596 CC(=O)OCCNCCCC1CCCCC1 34a_100011211642_100009814007 [0,0,0,1,0,0|3,0,0]=4 4651 B16R1.596 CC(=O)OCCOCCCC1CCCCC1 34a_100000198086_100009814007 [0,0,0,1,0,0|3,0,0]=4 4652 B16R1.596 CC(=O)OCCOCCCC1CCCCC1 7a_100000198086_100009814007 [0,0,0,1,0,0|3,0,0]=4 4653 B16R1.596 CC(=O)OCCSCCCC1CCCCC1 62a_100009814007_100011713725 [0,0,0,1,0,0|3,0,0]=4 4654 B16R1.596 CC(=O)OCCSCCCC1CCCCC1 62a_100011713725_100009814007 [0,0,0,1,0,0|3,0,0]=4 4655 B16R1.596 CC(=O)OCOCCCCC1CCCCC1 34a_100011215267_100009813279 [0,0,0,1,0,0|3,0,0]=4 4656 B16R1.596 CC(=O)SCCCCNCC1CCCCC1 2230a_100000210473_200010402107 [0,0,0,1,0,0|3,0,0]=4 4657 B16R1.596 CC(=O)SCCCCNCC1CCCCC1 34a_100000210473_200010402107 [0,0,0,1,0,0|3,0,0]=4 4658 B16R1.596 CC(=O)SCCCCOCC1CCCCC1 34a_100000212181_200010402107 [0,0,0,1,0,0|3,0,0]=4 4659 B16R1.596 CC(=O)SCCCCOCC1CCCCC1 7a_100000212181_200010402107 [0,0,0,1,0,0|3,0,0]=4 4660 B16R1.596 CC(=O)SCCCCSCC1CCCCC1 62a_100000211423_200010402107 [0,0,0,1,0,0|3,0,0]=4 4661 B16R1.596 CC(=O)SCCCCSCC1CCCCC1 62a_200010402107_100000211423 [0,0,0,1,0,0|3,0,0]=4 4662 B16R1.596 CC(=O)SCCCNCCC1CCCCC1 2230a_100000738074_100000038929 [0,0,0,1,0,0|3,0,0]=4 4663 B16R1.596 CC(=O)SCCCNCCC1CCCCC1 34a_100000738074_100000038929 [0,0,0,1,0,0|3,0,0]=4 4664 B16R1.596 CC(=O)SCCCOCCC1CCCCC1 34a_100011217863_100000038929 [0,0,0,1,0,0|3,0,0]=4 4665 B16R1.596 CC(=O)SCCCOCCC1CCCCC1 7a_100011217863_100000038929 [0,0,0,1,0,0|3,0,0]=4 4666 B16R1.596 CC(=O)SCCCSCCC1CCCCC1 62a_100000038929_100012355289 [0,0,0,1,0,0|3,0,0]=4 4667 B16R1.596 CC(=O)SCCCSCCC1CCCCC1 62a_100012355289_100000038929 [0,0,0,1,0,0|3,0,0]=4 4668 B16R1.596 CC(O)CCCNCCCC1CCCCC1 2230a_100011211642_200000718107 [0,0,0,1,0,0|2,0,1]=4 4669 B16R1.596 CC(O)CCCNCCCC1CCCCC1 34a_100011211642_200000718107 [0,0,0,1,0,0|2,0,1]=4 4670 B16R1.596 CC(O)CCCOCCCC1CCCCC1 34a_100000198086_200000718107 [0,0,0,1,0,0|2,0,1]=4 4671 B16R1.596 CC(O)CCCOCCCC1CCCCC1 7a_100000198086_200000718107 [0,0,0,1,0,0|2,0,1]=4 4672 B16R1.596 CC(O)CCCSCCCC1CCCCC1 62a_100011713725_200000718107 [0,0,0,1,0,0|2,0,1]=4 4673 B16R1.596 CC(O)CCCSCCCC1CCCCC1 62a_200000718107_100011713725 [0,0,0,1,0,0|2,0,1]=4 4674 B16R1.596 CC(O)CCOCCCCC1CCCCC1 34a_100011215267_100012276601 [0,0,0,1,0,0|2,0,1]=4 4675 B16R1.596 CC(O)CCOCCCCC1CCCCC1 7a_100011215267_100012276601 [0,0,0,1,0,0|2,0,1]=4 4676 B16R1.596 CS(=O)CCCNCCCC1CCCCC1 2230a_200000753449_100011713725 [0,0,0,1,0,0|3,0,0]=4 4677 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [0,0,0,1,0,0|2,0,0]=3 4678 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [0,0,0,1,0,0|2,0,0]=3 4679 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 2230a_100000174945_100009817443 [0,0,0,1,0,0|3,0,0]=4 4680 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 34a_100000174945_100009817443 [0,0,0,1,0,0|3,0,0]=4 4681 B16R1.596 NC(=O)CCCCCNCC1CCCOC1 2230a_100000720124_100009817443 [0,0,0,1,0,0|3,0,0]=4 4682 B16R1.596 NC(=O)CCCCCNCC1CCCOC1 34a_100000720124_100009817443 [0,0,0,1,0,0|3,0,0]=4 4683 B16R1.596 NC(=O)CCCCCNCC1CCOCC1 2230a_100000746373_100009817443 [0,0,0,1,0,0|3,0,0]=4 4684 B16R1.596 NC(=O)CCCCCNCC1CCOCC1 34a_100000746373_100009817443 [0,0,0,1,0,0|3,0,0]=4 4685 B16R1.596 NC(=O)CCCCCNCC1CCSCC1 2230a_100015188806_100009817443 [0,0,0,1,0,0|3,0,0]=4 4686 B16R1.596 NC(=O)CCCCCNCC1CCSCC1 34a_100015188806_100009817443 [0,0,0,1,0,0|3,0,0]=4 4687 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [0,0,0,1,0,0|2,0,0]=3 4688 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [0,0,0,1,0,0|2,0,0]=3 4689 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [0,0,0,1,0,0|2,0,0]=3 4690 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [0,0,0,1,0,0|2,0,0]=3 4691 B16R1.596 NC(=O)CCCCCOCC1CCCCN1 34a_100000210821_100009817443 [0,0,0,1,0,0|3,0,0]=4 4692 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000123541_100000211543 [0,0,0,1,0,0|3,0,0]=4 4693 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000211370_100009817443 [0,0,0,1,0,0|3,0,0]=4 4694 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000123541_100000211543 [0,0,0,1,0,0|3,0,0]=4 4695 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000211370_100009817443 [0,0,0,1,0,0|3,0,0]=4 4696 B16R1.596 NC(=O)CCCCCOCC1CCCNC1 34a_100000211344_100009817443 [0,0,0,1,0,0|3,0,0]=4 4697 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 34a_100000123541_100000741521 [0,0,0,1,0,0|3,0,0]=4 4698 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 34a_100000741520_100009817443 [0,0,0,1,0,0|3,0,0]=4 4699 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 7a_100000123541_100000741521 [0,0,0,1,0,0|3,0,0]=4 4700 B16R1.596 NC(=O)CCCCCOCC1CCNCC1 34a_100000738675_100009817443 [0,0,0,1,0,0|3,0,0]=4 4701 B16R1.596 NC(=O)CCCCCOCC1CCOCC1 34a_100000123541_100000754603 [0,0,0,1,0,0|3,0,0]=4 4702 B16R1.596 NC(=O)CCCCCOCC1CCOCC1 34a_100000749013_100009817443 [0,0,0,1,0,0|3,0,0]=4 4703 B16R1.596 NC(=O)CCCCCOCC1CCOCC1 7a_100000123541_100000754603 [0,0,0,1,0,0|3,0,0]=4 4704 B16R1.596 NC(=O)CCCCCOCC1CCSCC1 34a_100000070558_100009817443 [0,0,0,1,0,0|3,0,0]=4 4705 B16R1.596 NC(=O)CCCCCOCC1CCSCC1 7a_100000070558_100009817443 [0,0,0,1,0,0|3,0,0]=4 4706 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [0,0,0,1,0,0|2,0,0]=3 4707 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [0,0,0,1,0,0|2,0,0]=3 4708 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100000211543_100009817443 [0,0,0,1,0,0|3,0,0]=4 4709 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100009817443_100000211543 [0,0,0,1,0,0|3,0,0]=4 4710 B16R1.596 NC(=O)CCCCCSCC1CCCOC1 62a_100000741521_100009817443 [0,0,0,1,0,0|3,0,0]=4 4711 B16R1.596 NC(=O)CCCCCSCC1CCCOC1 62a_100009817443_100000741521 [0,0,0,1,0,0|3,0,0]=4 4712 B16R1.596 NC(=O)CCCCCSCC1CCOCC1 62a_100000754603_100009817443 [0,0,0,1,0,0|3,0,0]=4 4713 B16R1.596 NC(=O)CCCCCSCC1CCOCC1 62a_100009817443_100000749018 [0,0,0,1,0,0|3,0,0]=4 4714 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [0,0,0,1,0,0|2,0,0]=3 4715 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [0,0,0,1,0,0|2,0,0]=3 4716 B16R1.596 NC(=O)CCCCNCCC1CCOCC1 34a_100000696515_100011934994 [0,0,0,1,0,0|3,0,0]=4 4717 B16R1.596 NC(=O)CCCCNCCN1CCCCC1 34a_100000696515_100000739454 [0,0,0,1,0,0|3,0,0]=4 4718 B16R1.596 NC(=O)CCCCNCOC1CCCCC1 34a_100000696515_100011935260 [0,0,0,1,0,0|3,0,0]=4 4719 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [0,0,0,1,0,0|2,0,0]=3 4720 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [0,0,0,1,0,0|2,0,0]=3 4721 B16R1.596 NC(=O)CCCCOCCC1CCOCC1 34a_100012022536_100011934994 [0,0,0,1,0,0|3,0,0]=4 4722 B16R1.596 NC(=O)CCCCOCCC1CCOCC1 7a_100012022536_100011934994 [0,0,0,1,0,0|3,0,0]=4 4723 B16R1.596 NC(=O)CCCCOCCN1CCCCC1 34a_100012022536_100000739454 [0,0,0,1,0,0|3,0,0]=4 4724 B16R1.596 NC(=O)CCCCOCCN1CCCCC1 7a_100012022536_100000739454 [0,0,0,1,0,0|3,0,0]=4 4725 B16R1.596 NC(=O)CCCCOCOC1CCCCC1 34a_100012022536_100011935260 [0,0,0,1,0,0|3,0,0]=4 4726 B16R1.596 NC(=O)CCCCOCOC1CCCCC1 7a_100012022536_100011935260 [0,0,0,1,0,0|3,0,0]=4 4727 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [0,0,0,1,0,0|2,0,0]=3 4728 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [0,0,0,1,0,0|2,0,0]=3 4729 B16R1.596 NC(=O)CCCNCCCN1CCCCC1 34a_100000739312_100000690320 [0,0,0,1,0,0|3,0,0]=4 4730 B16R1.596 NC(=O)CCCNCCOC1CCCCC1 34a_100000739312_100011211530 [0,0,0,1,0,0|3,0,0]=4 4731 B16R1.596 NC(=O)CCCNCCOC1CCCCC1 34a_100015206981_100102525003 [0,0,0,1,0,0|3,0,0]=4 4732 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [0,0,0,1,0,0|2,0,0]=3 4733 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [0,0,0,1,0,0|2,0,0]=3 4734 B16R1.596 NC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100102525003 [0,0,0,1,0,0|3,0,0]=4 4735 B16R1.596 NC(=O)CCCOCCCC1CCCNC1 34a_100150707839_100102525003 [0,0,0,1,0,0|3,0,0]=4 4736 B16R1.596 NC(=O)CCCOCCCC1CCNCC1 34a_100016988962_100102525003 [0,0,0,1,0,0|3,0,0]=4 4737 B16R1.596 NC(=O)CCCOCCCN1CCCCC1 34a_100000212458_100102525003 [0,0,0,1,0,0|3,0,0]=4 4738 B16R1.596 NC(=O)CCCOCCNC1CCCCC1 34a_100000200466_100102525003 [0,0,0,1,0,0|3,0,0]=4 4739 B16R1.596 NC(=O)CCCOCCOC1CCCCC1 34a_100011249652_100102525003 [0,0,0,1,0,0|3,0,0]=4 4740 B16R1.596 NC(=O)CCCOCCOC1CCCCC1 7a_100011249652_100102525003 [0,0,0,1,0,0|3,0,0]=4 4741 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [0,0,0,1,0,0|2,0,0]=3 4742 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [0,0,0,1,0,0|2,0,0]=3 4743 B16R1.596 NC(=O)CCCSCCCN1CCCCC1 62a_100102525003_100000007876 [0,0,0,1,0,0|3,0,0]=4 4744 B16R1.596 NC(=O)CCCSCCCN1CCCCC1 62a_100132302099_100102525003 [0,0,0,1,0,0|3,0,0]=4 4745 B16R1.596 NC(=O)CCCSCCOC1CCCCC1 62a_100011211530_100102525003 [0,0,0,1,0,0|3,0,0]=4 4746 B16R1.596 NC(=O)CCCSCCOC1CCCCC1 62a_100102525003_100011211530 [0,0,0,1,0,0|3,0,0]=4 4747 B16R1.596 NC(=O)CCNCCCOC1CCCCC1 34a_100000205933_100000731001 [0,0,0,1,0,0|3,0,0]=4 4748 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [0,0,0,1,0,0|2,0,0]=3 4749 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [0,0,0,1,0,0|2,0,0]=3 4750 B16R1.596 NC(=O)CCOCCCCC1CCNCC1 34a_100016989291_100000731001 [0,0,0,1,0,0|3,0,0]=4 4751 B16R1.596 NC(=O)COCCCCCN1CCCCC1 34a_100011216611_100000187820 [0,0,0,1,0,0|3,0,0]=4 4752 B16R1.596 NC(=O)COCCCCCN1CCCCC1 7a_100011216611_100000187820 [0,0,0,1,0,0|3,0,0]=4 4753 B16R1.596 NC(=O)COCCNCCC1CCCCC1 2230a_100000738074_100000076697 [0,0,0,1,0,0|3,0,0]=4 4754 B16R1.596 NC(=O)COCCNCCC1CCCCC1 34a_100000738074_100000076697 [0,0,0,1,0,0|3,0,0]=4 4755 B16R1.596 NC(=O)COCCOCCC1CCCCC1 34a_100011217863_100000076697 [0,0,0,1,0,0|3,0,0]=4 4756 B16R1.596 NC(=O)COCCOCCC1CCCCC1 7a_100011217863_100000076697 [0,0,0,1,0,0|3,0,0]=4 4757 B16R1.596 NC(=O)COCCSCCC1CCCCC1 62a_100000076697_100012355289 [0,0,0,1,0,0|3,0,0]=4 4758 B16R1.596 NC(=O)COCCSCCC1CCCCC1 62a_100012355289_100000076697 [0,0,0,1,0,0|3,0,0]=4 4759 B16R1.596 NC(=O)NCCNCCCC1CCCCC1 2230a_100011211642_200000034859 [0,0,0,1,0,0|3,0,0]=4 4760 B16R1.596 NC(=O)NCCNCCCC1CCCCC1 34a_100020590234_100011713725 [0,0,0,1,0,0|3,0,0]=4 4761 B16R1.596 NC(=O)NCCOCCCC1CCCCC1 34a_100000181757_100011713725 [0,0,0,1,0,0|3,0,0]=4 4762 B16R1.596 NC(=O)NCCOCCCC1CCCCC1 7a_100000198086_200000034859 [0,0,0,1,0,0|3,0,0]=4 4763 B16R1.596 NC(=O)NCCSCCCC1CCCCC1 62a_100011713725_200000034859 [0,0,0,1,0,0|3,0,0]=4 4764 B16R1.596 NC(=O)NCCSCCCC1CCCCC1 62a_200000034859_100011713725 [0,0,0,1,0,0|3,0,0]=4 4765 B16R1.596 NC(=O)OCCNCCCC1CCCCC1 34a_100011211642_200011214921 [0,0,0,1,0,0|3,0,0]=4 4766 B16R1.596 NC(=O)OCCOCCCC1CCCCC1 34a_100000198086_200011214921 [0,0,0,1,0,0|3,0,0]=4 4767 B16R1.596 NC(=O)OCCOCCCC1CCCCC1 7a_100000198086_200011214921 [0,0,0,1,0,0|3,0,0]=4 4768 B16R1.596 NC(=O)OCCOCCCC1CCCCC1 7a_100000766696_100011713725 [0,0,0,1,0,0|3,0,0]=4 4769 B16R1.596 NC(=O)OCCSCCCC1CCCCC1 62a_100011713725_200011214921 [0,0,0,1,0,0|3,0,0]=4 4770 B16R1.596 NC(=O)OCCSCCCC1CCCCC1 62a_200011214921_100011713725 [0,0,0,1,0,0|3,0,0]=4 4771 B16R1.596 O=C(O)CNCCCCOC1CCCCO1 269956a_100016091260_100000031530 [0,0,0,1,0,0|3,0,0]=4 4772 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [0,0,0,1,0,0|2,0,0]=3 4773 B16R1.596 O=C(O)COCCNCCC1CCOCC1 269956a_100000700818_100011934994 [0,0,0,1,0,0|3,0,0]=4 4774 B16R1.596 O=C(O)COCCNCCN1CCCCC1 269956a_100000700818_100000739454 [0,0,0,1,0,0|3,0,0]=4 4775 B16R1.596 O=C(O)COCCNCOC1CCCCC1 269956a_100000700818_100011935260 [0,0,0,1,0,0|3,0,0]=4 4776 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [0,0,0,1,0,0|1,0,1]=3 4777 B16R1.596 O=C([O-])CCCCCOCC1CCCCO1 7a_100102619762_100000211543 [0,0,0,1,0,0|2,0,1]=4 4778 B16R1.596 O=C([O-])CCCCCOCC1CCCOC1 7a_100102619762_100000741521 [0,0,0,1,0,0|2,0,1]=4 4779 B16R1.596 O=C([O-])CCCCCOCC1CCOCC1 7a_100102619762_100000754603 [0,0,0,1,0,0|2,0,1]=4 4780 B16R1.596 O=C([O-])COCCCCCN1CCCCC1 34a_100011216611_100020667443 [0,0,0,1,0,0|2,0,1]=4 4781 B16R1.596 O=[N+]([O-])CCCCOCCC1CCCCC1 34a_200015379883_100011209188 [0,0,0,1,0,0|2,0,1]=4 4782 B16R1.596 O=[N+]([O-])CCCCOCCC1CCCCC1 7a_200015379883_100011273959 [0,0,0,1,0,0|2,0,1]=4 4783 B16R1.596 O=[N+]([O-])CCCOCCCC1CCCCC1 34a_200000037920_100011713725 [0,0,0,1,0,0|2,0,1]=4 4784 B16R1.596 OB(O)CCCCCCNC1CCCCC1 2230a_100000182618_100009817187 [0,0,0,1,0,0|2,0,1]=4 4785 B16R1.596 OB(O)CCCCCCNC1CCCCC1 34a_100000182618_100009817187 [0,0,0,1,0,0|2,0,1]=4 4786 B16R1.596 OB(O)CCCCCCOC1CCCCC1 34a_100000210231_100009817187 [0,0,0,1,0,0|2,0,1]=4 4787 B16R1.596 OB(O)CCCCCCOC1CCCCC1 7a_100000210231_100009817187 [0,0,0,1,0,0|2,0,1]=4 4788 B16R1.596 OB(O)CCCCCCSC1CCCCC1 62a_100000210327_100009817187 [0,0,0,1,0,0|2,0,1]=4 4789 B16R1.596 OB(O)CCCCCCSC1CCCCC1 62a_100009817187_100000210327 [0,0,0,1,0,0|2,0,1]=4 4790 B16R1.596 OB(O)CCCCCNCC1CCCCC1 2230a_100000210473_200009817188 [0,0,0,1,0,0|2,0,1]=4 4791 B16R1.596 OB(O)CCCCCNCC1CCCCC1 34a_100000210473_200009817188 [0,0,0,1,0,0|2,0,1]=4 4792 B16R1.596 OB(O)CCCCCOCC1CCCCC1 34a_100000212181_200009817188 [0,0,0,1,0,0|2,0,1]=4 4793 B16R1.596 OB(O)CCCCCOCC1CCCCC1 7a_100000212181_200009817188 [0,0,0,1,0,0|2,0,1]=4 4794 B16R1.596 OB(O)CCCCCSCC1CCCCC1 62a_100000211423_200009817188 [0,0,0,1,0,0|2,0,1]=4 4795 B16R1.596 OB(O)CCCCCSCC1CCCCC1 62a_200009817188_100000211423 [0,0,0,1,0,0|2,0,1]=4 4796 B16R1.596 OB(O)CCCCNCCC1CCCCC1 2230a_100000738074_200009817182 [0,0,0,1,0,0|2,0,1]=4 4797 B16R1.596 OB(O)CCCCNCCC1CCCCC1 34a_100000738074_200009817182 [0,0,0,1,0,0|2,0,1]=4 4798 B16R1.596 OB(O)CCCCOCCC1CCCCC1 34a_100011217863_200009817182 [0,0,0,1,0,0|2,0,1]=4 4799 B16R1.596 OB(O)CCCCOCCC1CCCCC1 7a_100011217863_200009817182 [0,0,0,1,0,0|2,0,1]=4 4800 B16R1.596 OB(O)CCCCSCCC1CCCCC1 62a_100012355289_200009817182 [0,0,0,1,0,0|2,0,1]=4 4801 B16R1.596 OB(O)CCCCSCCC1CCCCC1 62a_200009817182_100012355289 [0,0,0,1,0,0|2,0,1]=4 4802 B16R1.642 CCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100000210320 [0,0,0,1,0,0|2,0,1]=4 4803 B16R1.642 CCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210320 [0,0,0,1,0,0|2,0,1]=4 4804 B16R1.642 CCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210320 [0,0,0,1,0,0|3,0,0]=4 4805 B16R1.642 CCCCCCCCCNC1CCC(C1)O 270004a_100000212291_100012614533 [0,0,0,1,0,0|2,0,1]=4 4806 B16R1.642 CCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011214924 [0,0,0,1,0,0|3,0,0]=4 4807 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,0,0,1,0,0|2,0,0]=3 4808 B16R1.642 CCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011214924 [0,0,0,1,0,0|2,0,1]=4 4809 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,0,0,1,0,0|2,0,0]=3 4810 B16R1.642 CCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100011214924 [0,0,0,1,0,0|3,0,0]=4 4811 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,0,0,1,0,0|2,0,0]=3 4812 B16R1.642 CCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210759 [0,0,0,1,0,0|3,0,0]=4 4813 B16R1.642 CCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210759 [0,0,0,1,0,0|3,0,0]=4 4814 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 2230a_100000229939_100000181169 [0,0,0,1,0,0|2,0,0]=3 4815 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 34a_100000229939_100000181169 [0,0,0,1,0,0|2,0,0]=3 4816 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [0,0,0,1,0,0|2,0,0]=3 4817 B16R1.642 CCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229939_100015189358 [0,0,0,1,0,0|2,0,0]=3 4818 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210759 [0,0,0,1,0,0|2,0,0]=3 4819 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210759 [0,0,0,1,0,0|2,0,0]=3 4820 B16R1.642 CCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229939_100015307671 [0,0,0,1,0,0|3,0,0]=4 4821 B16R1.642 CCCCCCCCNC[C@H]1COC(=O)N1 34a_100000229939_100015307671 [0,0,0,1,0,0|3,0,0]=4 4822 B16R1.642 CCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210759 [0,0,0,1,0,0|2,0,0]=3 4823 B16R1.642 CCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210759 [0,0,0,1,0,0|3,0,0]=4 4824 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100000210232_100000181169 [0,0,0,1,0,0|2,0,0]=3 4825 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210759 [0,0,0,1,0,0|2,0,0]=3 4826 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 7a_100000210232_100000181169 [0,0,0,1,0,0|2,0,0]=3 4827 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [0,0,0,1,0,0|2,0,0]=3 4828 B16R1.642 CCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210232_100015189358 [0,0,0,1,0,0|2,0,0]=3 4829 B16R1.642 CCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210232_100015307671 [0,0,0,1,0,0|3,0,0]=4 4830 B16R1.642 CCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210232_100015307671 [0,0,0,1,0,0|3,0,0]=4 4831 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210317 [0,0,0,1,0,0|2,0,0]=3 4832 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000210759_100000181169 [0,0,0,1,0,0|2,0,0]=3 4833 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [0,0,0,1,0,0|2,0,0]=3 4834 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [0,0,0,1,0,0|2,0,0]=3 4835 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210759_100015189358 [0,0,0,1,0,0|2,0,0]=3 4836 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210317 [0,0,0,1,0,0|2,0,0]=3 4837 B16R1.642 CCCCCCCCSC[C@H]1COC(=O)N1 62a_100000210759_100015307671 [0,0,0,1,0,0|3,0,0]=4 4838 B16R1.642 CCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210317 [0,0,0,1,0,0|3,0,0]=4 4839 B16R1.642 CCCCCCCOCCC1COS(=O)O1 7a_100000210272_100009840081 [0,0,0,1,0,0|3,0,0]=4 4840 B16R1.642 CCCCCCCSCCC1COS(=O)O1 62a_100000210614_100009840081 [0,0,0,1,0,0|3,0,0]=4 4841 B16R1.642 CCCCCCOCCOC1COC(=O)O1 34a_100000691444_100000032252 [0,0,0,1,0,0|3,0,0]=4 4842 B16R1.642 CCCCCNCCOCC1CNC(=O)O1 34a_100000224656_100000181169 [0,0,0,1,0,0|3,0,0]=4 4843 B16R1.642 CCCCCNCCOCC1COC(=O)O1 34a_100000224656_100000073702 [0,0,0,1,0,0|3,0,0]=4 4844 B16R1.642 CCCCCOCCOCC1CNC(=O)O1 34a_100011215259_100000181169 [0,0,0,1,0,0|3,0,0]=4 4845 B16R1.642 CCCCCOCCOCC1CNC(=O)O1 7a_100011215259_100000181169 [0,0,0,1,0,0|3,0,0]=4 4846 B16R1.642 CCCCCOCCOCC1COC(=O)O1 34a_100011215259_100000073702 [0,0,0,1,0,0|3,0,0]=4 4847 B16R1.642 CCCCCOCCOC[C@@H]1CCC(=O)N1 7a_100011215259_100015189358 [0,0,0,1,0,0|3,0,0]=4 4848 B16R1.642 CCCCNCCCCOC1COC(=O)O1 34a_200011216965_100000032252 [0,0,0,1,0,0|3,0,0]=4 4849 B16R1.642 CCCCOCCCCOC1COC(=O)O1 34a_200000760531_100000032252 [0,0,0,1,0,0|3,0,0]=4 4850 B16R1.642 CCCCOCCCNCC1CNC(=O)O1 2230a_200000211371_100000181169 [0,0,0,1,0,0|3,0,0]=4 4851 B16R1.642 CCCCOCCCNCC1CNC(=O)O1 34a_200000211371_100000181169 [0,0,0,1,0,0|3,0,0]=4 4852 B16R1.642 CCCCOCCCNCC1COC(=O)O1 34a_200000211371_100000073702 [0,0,0,1,0,0|3,0,0]=4 4853 B16R1.642 CCCCOCCCNC[C@@H]1CCC(=O)N1 2230a_200000211371_100015189358 [0,0,0,1,0,0|3,0,0]=4 4854 B16R1.642 CCCCOCCCOCC1CNC(=O)O1 34a_200011215613_100000181169 [0,0,0,1,0,0|3,0,0]=4 4855 B16R1.642 CCCCOCCCOCC1CNC(=O)O1 7a_200011215613_100000181169 [0,0,0,1,0,0|3,0,0]=4 4856 B16R1.642 CCCCOCCCOCC1COC(=O)O1 34a_200011215613_100000073702 [0,0,0,1,0,0|3,0,0]=4 4857 B16R1.642 CCCCOCCCOC[C@@H]1CCC(=O)N1 7a_200011215613_100015189358 [0,0,0,1,0,0|3,0,0]=4 4858 B16R1.642 COCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011998445 [0,0,0,1,0,0|3,0,0]=4 4859 B16R1.642 COCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011998445 [0,0,0,1,0,0|3,0,0]=4 4860 B16R1.642 COCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011998445 [0,0,0,1,0,0|3,0,0]=4 4861 B16R1.642 COCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011998445 [0,0,0,1,0,0|3,0,0]=4 4862 B16R1.642 COCCCCCCOCC1CNC(=O)O1 34a_200012092642_100000181169 [0,0,0,1,0,0|3,0,0]=4 4863 B16R1.642 COCCCCCCOCC1CNC(=O)O1 7a_200012092642_100000181169 [0,0,0,1,0,0|3,0,0]=4 4864 B16R1.642 COCCCCCCOCC1COC(=O)O1 34a_200012092642_100000073702 [0,0,0,1,0,0|3,0,0]=4 4865 B16R1.642 COCCCCCCOC[C@@H]1CCC(=O)N1 7a_200012092642_100015189358 [0,0,0,1,0,0|3,0,0]=4 4866 B16R1.642 COCCCCCCSCC1CNC(=O)O1 62a_100000181169_100011998445 [0,0,0,1,0,0|3,0,0]=4 4867 B16R1.642 COCCCCCCSCC1CNC(=O)O1 62a_100011998445_100000181169 [0,0,0,1,0,0|3,0,0]=4 4868 B16R1.642 COCCCCCCSCC1COC(=O)O1 62a_100000073702_100011998445 [0,0,0,1,0,0|3,0,0]=4 4869 B16R1.642 COCCCCCCSCC1COC(=O)O1 62a_100011998445_100000073702 [0,0,0,1,0,0|3,0,0]=4 4870 B16R1.642 COCCCCCCSC[C@@H]1CCC(=O)N1 62a_100011998445_100015189358 [0,0,0,1,0,0|3,0,0]=4 4871 B16R1.642 COCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011998445 [0,0,0,1,0,0|3,0,0]=4 4872 B16R1.642 NCCCCCCCCOC1COC(=O)O1 34a_102515433106_100000032252 [0,0,0,1,0,0|3,0,0]=4 4873 B16R1.642 NCCCCCCCOCC1CNC(=O)O1 34a_100011996573_100000181169 [0,0,0,1,0,0|3,0,0]=4 4874 B16R1.642 NCCCCCCCOCC1COC(=O)O1 34a_100011996573_100000073702 [0,0,0,1,0,0|3,0,0]=4 4875 B16R1.642 O=C1CCC(C1)OCCCCCCCCO 34a_100012614533_100000033203 [0,0,0,1,0,0|3,0,0]=4 4876 B16R1.642 O=C1CCC(N1)COCCCCCCCO 34a_100000737831_100000760002 [0,0,0,1,0,0|3,0,0]=4 4877 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 2230a_100015423886_100000760002 [0,0,0,1,0,0|3,0,0]=4 4878 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 34a_100015423886_100000760002 [0,0,0,1,0,0|3,0,0]=4 4879 B16R1.642 O=C1CC[C@H](N1)CNCCCCCCCO 2230a_100011996573_100015189358 [0,0,0,1,0,0|3,0,0]=4 4880 B16R1.642 O=C1CC[C@H](N1)COCCCCCCCBr 7a_100000760002_100015189358 [0,0,0,1,0,0|3,0,0]=4 4881 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100000760002_100015189358 [0,0,0,1,0,0|3,0,0]=4 4882 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100015189358_100000760002 [0,0,0,1,0,0|3,0,0]=4 4883 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 2230a_100011996573_100000181169 [0,0,0,1,0,0|3,0,0]=4 4884 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 34a_100011996573_100000181169 [0,0,0,1,0,0|3,0,0]=4 4885 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 34a_100000760002_100000181169 [0,0,0,1,0,0|3,0,0]=4 4886 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 7a_100000760002_100000181169 [0,0,0,1,0,0|3,0,0]=4 4887 B16R1.642 O=C1NCC(O1)COCCCCCCCO 34a_100011315639_100000760002 [0,0,0,1,0,0|3,0,0]=4 4888 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000181169_100000760002 [0,0,0,1,0,0|3,0,0]=4 4889 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000760002_100000181169 [0,0,0,1,0,0|3,0,0]=4 4890 B16R1.642 O=C1OCC(O1)CNCCCCCCCO 34a_100011996573_100000073702 [0,0,0,1,0,0|3,0,0]=4 4891 B16R1.642 O=C1OCC(O1)COCCCCCCCBr 34a_100000760002_100000073702 [0,0,0,1,0,0|3,0,0]=4 4892 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000073702_100000760002 [0,0,0,1,0,0|3,0,0]=4 4893 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000760002_100000073702 [0,0,0,1,0,0|3,0,0]=4 4894 B16R1.642 O=C1OCC(O1)NCCCCCCCCO 34a_102515433106_100000032252 [0,0,0,1,0,0|3,0,0]=4 4895 B16R1.642 O=C1OCC(O1)OCCCCCCCCBr 34a_100009813846_100000032252 [0,0,0,1,0,0|3,0,0]=4 4896 B16R1.642 O=C1OCC(O1)OCCCCCCCCCl 34a_100000033203_100000032252 [0,0,0,1,0,0|3,0,0]=4 4897 B16R1.642 O=C1OCC(O1)SCCCCCCCCO 62a_100000033203_100000032252 [0,0,0,1,0,0|3,0,0]=4 4898 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 269982a_100000211664_100000735457 [0,0,0,1,0,0|3,0,0]=4 4899 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 34a_100000211664_100009817362 [0,0,0,1,0,0|3,0,0]=4 4900 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [0,0,0,1,0,0|2,0,0]=3 4901 B16R1.695 CCCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100011218038 [0,0,0,1,0,0|3,0,0]=4 4902 B16R1.695 CCCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100011218038 [0,0,0,1,0,0|3,0,0]=4 4903 B16R1.695 CCCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100011218038 [0,0,0,1,0,0|3,0,0]=4 4904 B16R1.695 CCCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100011218038 [0,0,0,1,0,0|3,0,0]=4 4905 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [0,0,0,1,0,0|2,0,0]=3 4906 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [0,0,0,1,0,0|2,0,0]=3 4907 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [0,0,0,1,0,0|2,0,0]=3 4908 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [0,0,0,1,0,0|2,0,0]=3 4909 B16R1.695 CCCC1CCCCC1OCCCC(C)O 34a_100011217265_200000718107 [0,0,0,1,0,0|2,0,1]=4 4910 B16R1.695 CCCC1CCCCC1OCCCC(C)O 7a_100011217265_200000718107 [0,0,0,1,0,0|2,0,1]=4 4911 B16R1.695 CCCC1CCCCC1OCCNC(=O)C 7a_100011217265_100000189650 [0,0,0,1,0,0|3,0,0]=4 4912 B16R1.695 CCCC1CCCCC1OCCNC(=O)N 7a_100011217265_200000034859 [0,0,0,1,0,0|3,0,0]=4 4913 B16R1.695 CCCC1CCCCC1OCCOC(=O)C 34a_100011217265_100009814007 [0,0,0,1,0,0|3,0,0]=4 4914 B16R1.695 CCCC1CCCCC1OCCOC(=O)C 7a_100011217265_100009814007 [0,0,0,1,0,0|3,0,0]=4 4915 B16R1.695 CCCC1CCCCC1OCCOC(=O)N 34a_100011217265_200011214921 [0,0,0,1,0,0|3,0,0]=4 4916 B16R1.695 CCCC1CCCCC1OCCOC(=O)N 7a_100011217265_200011214921 [0,0,0,1,0,0|3,0,0]=4 4917 B16R1.695 CCCC1CCCCN1CCCCB(O)O 2230a_100000701414_200009817182 [0,0,0,1,0,0|2,0,1]=4 4918 B16R1.695 CCCC1CCCCN1CCCCB(O)O 269982a_100000701414_200009817182 [0,0,0,1,0,0|2,0,1]=4 4919 B16R1.695 CCCC1CCCCN1CCCCB(O)O 34a_100000701414_200009817182 [0,0,0,1,0,0|2,0,1]=4 4920 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [0,0,0,1,0,0|2,0,0]=3 4921 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [0,0,0,1,0,0|2,0,0]=3 4922 B16R1.695 CCCC1CCCCN1CCCOC(=O)C 269982a_100000701414_100000042594 [0,0,0,1,0,0|3,0,0]=4 4923 B16R1.695 CCCC1CCCCN1CCCOC(=O)C 34a_100000701414_100000042594 [0,0,0,1,0,0|3,0,0]=4 4924 B16R1.695 CCCC1CCCCN1CCCSC(=O)C 2230a_100000701414_100000038929 [0,0,0,1,0,0|3,0,0]=4 4925 B16R1.695 CCCC1CCCCN1CCCSC(=O)C 269982a_100000701414_100000038929 [0,0,0,1,0,0|3,0,0]=4 4926 B16R1.695 CCCC1CCCCN1CCCSC(=O)C 34a_100000701414_100000038929 [0,0,0,1,0,0|3,0,0]=4 4927 B16R1.695 CCCC1CCCCN1CCOCC(=O)N 2230a_100000701414_100000076697 [0,0,0,1,0,0|3,0,0]=4 4928 B16R1.695 CCCC1CCCCN1CCOCC(=O)N 269982a_100000701414_100000076697 [0,0,0,1,0,0|3,0,0]=4 4929 B16R1.695 CCCC1CCCCN1CCOCC(=O)N 34a_100000701414_100000076697 [0,0,0,1,0,0|3,0,0]=4 4930 B16R1.695 CCCC1COCCN1CCCCC(=O)C 269982a_102495339903_100000735457 [0,0,0,1,0,0|3,0,0]=4 4931 B16R1.695 CCCC1COCCN1CCCCC(=O)C 34a_102495339903_100009817362 [0,0,0,1,0,0|3,0,0]=4 4932 B16R1.695 COCC1CCCCN1CCCCC(=O)C 269982a_100015184032_100000735457 [0,0,0,1,0,0|3,0,0]=4 4933 B16R1.695 COCC1CCCCN1CCCCC(=O)C 34a_100015184032_100009817362 [0,0,0,1,0,0|3,0,0]=4 4934 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [0,0,0,1,0,0|2,0,0]=3 4935 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [0,0,0,1,0,0|2,0,0]=3 4936 B16R1.708 CCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000723119 [0,0,0,1,0,0|3,0,0]=4 4937 B16R1.708 CCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000723119 [0,0,0,1,0,0|3,0,0]=4 4938 B16R1.708 CCCN1CCCC1COCCCC(=O)C 34a_200000694710_100000685027 [0,0,0,1,0,0|3,0,0]=4 4939 B16R1.708 CCCN1CCCC1COCCCC(=O)C 7a_200000694710_100011215641 [0,0,0,1,0,0|3,0,0]=4 4940 B16R1.708 CCCN1CCCC1COCCCC(=O)N 34a_200000694710_100102525003 [0,0,0,1,0,0|3,0,0]=4 4941 B16R1.708 CCCN1CCCC1COCCCC(=O)N 7a_200000694710_100102525003 [0,0,0,1,0,0|3,0,0]=4 4942 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 2230a_100020646714_100009817443 [0,0,0,1,0,0|3,0,0]=4 4943 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 269982a_100020646714_100009817443 [0,0,0,1,0,0|3,0,0]=4 4944 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 34a_100020646714_100009817443 [0,0,0,1,0,0|3,0,0]=4 4945 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100011215641 [0,0,0,1,0,0|3,0,0]=4 4946 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100000685027 [0,0,0,1,0,0|3,0,0]=4 4947 B16R1.1255 CCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210211 [0,0,0,1,0,0|3,0,0]=4 4948 B16R1.1255 CCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210211 [0,0,0,1,0,0|3,0,0]=4 4949 B16R1.1255 CCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210210 [0,0,0,1,0,0|3,0,0]=4 4950 B16R1.1255 COCCC1CCCCN1CCCC(=O)C 269982a_100015186528_100011215641 [0,0,0,1,0,0|3,0,0]=4 4951 B16R1.1255 COCCC1CCCCN1CCCC(=O)C 34a_100015186528_100000685027 [0,0,0,1,0,0|3,0,0]=4 4952 B16R1.1255 COCCC1CCCCN1CCCC(=O)N 269982a_100015186528_100102525003 [0,0,0,1,0,0|3,0,0]=4 4953 B16R1.1255 COCCC1CCCCN1CCCC(=O)N 34a_100015186528_100102525003 [0,0,0,1,0,0|3,0,0]=4 4954 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100102525003 [0,0,0,1,0,0|3,0,0]=4 4955 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100102525003 [0,0,0,1,0,0|3,0,0]=4 4956 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [0,0,0,1,0,0|2,0,0]=3 4957 B16R1.1270 CCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000750825 [0,0,0,1,0,0|3,0,0]=4 4958 B16R1.1270 CCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000750825 [0,0,0,1,0,0|3,0,0]=4 4959 B16R1.1270 CCCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000750825 [0,0,0,1,0,0|3,0,0]=4 4960 B16R1.1270 CCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000750825 [0,0,0,1,0,0|3,0,0]=4 4961 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [0,0,0,1,0,0|2,0,0]=3 4962 B16R1.1275 CC(=O)CCCCNCCOC1CCCC1 34a_100000741755_100009817362 [0,0,0,1,0,0|3,0,0]=4 4963 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [0,0,0,1,0,0|2,0,0]=3 4964 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [0,0,0,1,0,0|2,0,0]=3 4965 B16R1.1275 CC(=O)CCCCOCCNC1CCCC1 34a_200000200444_100009817362 [0,0,0,1,0,0|3,0,0]=4 4966 B16R1.1275 CC(=O)CCCCOCCOC1CCCC1 34a_100000738311_100009817362 [0,0,0,1,0,0|3,0,0]=4 4967 B16R1.1275 CC(=O)CCCCOCCOC1CCCC1 7a_100000738311_100000735457 [0,0,0,1,0,0|3,0,0]=4 4968 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [0,0,0,1,0,0|2,0,0]=3 4969 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [0,0,0,1,0,0|2,0,0]=3 4970 B16R1.1275 CC(=O)CCCCSCCCN1CCCC1 62a_100000735457_100011445909 [0,0,0,1,0,0|3,0,0]=4 4971 B16R1.1275 CC(=O)CCCCSCCCN1CCCC1 62a_100016991639_100000735457 [0,0,0,1,0,0|3,0,0]=4 4972 B16R1.1275 CC(=O)CCCNCCCOC1CCCC1 34a_100000747560_100000685027 [0,0,0,1,0,0|3,0,0]=4 4973 B16R1.1275 CC(=O)NCCCCCCNC1CCCC1 2230a_200011996284_100000179811 [0,0,0,1,0,0|3,0,0]=4 4974 B16R1.1275 CC(=O)NCCCCCCNC1CCCC1 270004a_200011996284_100000210133 [0,0,0,1,0,0|3,0,0]=4 4975 B16R1.1275 CC(=O)NCCCCCCNC1CCCC1 34a_200011996284_100000179811 [0,0,0,1,0,0|3,0,0]=4 4976 B16R1.1275 CC(=O)NCCCCCNCC1CCCC1 2230a_200012022750_100000740388 [0,0,0,1,0,0|3,0,0]=4 4977 B16R1.1275 CC(=O)NCCCCCNCC1CCCC1 269862a_200012022750_100000746403 [0,0,0,1,0,0|3,0,0]=4 4978 B16R1.1275 CC(=O)NCCCCCNCC1CCCC1 34a_200012022750_100000740388 [0,0,0,1,0,0|3,0,0]=4 4979 B16R1.1275 CC(=O)NCCCCNCCC1CCCC1 2230a_200011368371_100000760354 [0,0,0,1,0,0|3,0,0]=4 4980 B16R1.1275 CC(=O)NCCCCNCCC1CCCC1 34a_200011368371_100000760354 [0,0,0,1,0,0|3,0,0]=4 4981 B16R1.1275 CC(=O)NCCCNCCCC1CCCC1 34a_100000736810_100011713738 [0,0,0,1,0,0|3,0,0]=4 4982 B16R1.1275 CC(=O)NCCCOCCCC1CCCC1 34a_100000752032_100011713738 [0,0,0,1,0,0|3,0,0]=4 4983 B16R1.1275 CC(=O)OCCCCCNCC1CCCC1 2230a_100000737975_100009813381 [0,0,0,1,0,0|3,0,0]=4 4984 B16R1.1275 CC(=O)OCCCCCNCC1CCCC1 34a_100000737975_100000033007 [0,0,0,1,0,0|3,0,0]=4 4985 B16R1.1275 CC(=O)OCCCCCOCC1CCCC1 34a_100000742336_100000033007 [0,0,0,1,0,0|3,0,0]=4 4986 B16R1.1275 CC(=O)OCCCCCOCC1CCCC1 7a_100000742336_100000033007 [0,0,0,1,0,0|3,0,0]=4 4987 B16R1.1275 CC(=O)OCCCCCSCC1CCCC1 62a_100000033007_100000740388 [0,0,0,1,0,0|3,0,0]=4 4988 B16R1.1275 CC(=O)OCCCCCSCC1CCCC1 62a_100000740388_100000033007 [0,0,0,1,0,0|3,0,0]=4 4989 B16R1.1275 CC(=O)OCCCCNCCC1CCCC1 34a_100000739158_100000033659 [0,0,0,1,0,0|3,0,0]=4 4990 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 34a_100000073216_100000760354 [0,0,0,1,0,0|3,0,0]=4 4991 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 34a_100000749090_100000033659 [0,0,0,1,0,0|3,0,0]=4 4992 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 7a_100000073216_100000760354 [0,0,0,1,0,0|3,0,0]=4 4993 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 7a_100000749090_100000033659 [0,0,0,1,0,0|3,0,0]=4 4994 B16R1.1275 CC(=O)OCCCCSCCC1CCCC1 62a_100000033659_100000760354 [0,0,0,1,0,0|3,0,0]=4 4995 B16R1.1275 CC(=O)OCCCCSCCC1CCCC1 62a_100000760354_100000033659 [0,0,0,1,0,0|3,0,0]=4 4996 B16R1.1275 CC(=O)OCCCNCCCC1CCCC1 34a_100000736752_100000042594 [0,0,0,1,0,0|3,0,0]=4 4997 B16R1.1275 CC(=O)OCCCOCCCC1CCCC1 34a_100011215328_100000042594 [0,0,0,1,0,0|3,0,0]=4 4998 B16R1.1275 CC(=O)OCCCOCCCC1CCCC1 7a_100011215328_100000042594 [0,0,0,1,0,0|3,0,0]=4 4999 B16R1.1275 CC(=O)OCCCSCCCC1CCCC1 62a_100000042594_100011713738 [0,0,0,1,0,0|3,0,0]=4 5000 B16R1.1275 CC(=O)OCCCSCCCC1CCCC1 62a_100011713738_100000042594 [0,0,0,1,0,0|3,0,0]=4 5001 B16R1.1275 CC(=O)SCCCCCCNC1CCCC1 270004a_100000704104_100000210133 [0,0,0,1,0,0|3,0,0]=4 5002 B16R1.1275 CC(=O)SCCCCNCCC1CCCC1 2230a_100000739158_200010402107 [0,0,0,1,0,0|3,0,0]=4 5003 B16R1.1275 CC(=O)SCCCCNCCC1CCCC1 34a_100000739158_200010402107 [0,0,0,1,0,0|3,0,0]=4 5004 B16R1.1275 CC(=O)SCCCCOCCC1CCCC1 34a_100000749090_200010402107 [0,0,0,1,0,0|3,0,0]=4 5005 B16R1.1275 CC(=O)SCCCCOCCC1CCCC1 7a_100000749090_200010402107 [0,0,0,1,0,0|3,0,0]=4 5006 B16R1.1275 CC(=O)SCCCCSCCC1CCCC1 62a_100000760354_200010402107 [0,0,0,1,0,0|3,0,0]=4 5007 B16R1.1275 CC(=O)SCCCCSCCC1CCCC1 62a_200010402107_100000760354 [0,0,0,1,0,0|3,0,0]=4 5008 B16R1.1275 CC(=O)SCCCNCCCC1CCCC1 2230a_100000736752_100000038929 [0,0,0,1,0,0|3,0,0]=4 5009 B16R1.1275 CC(=O)SCCCNCCCC1CCCC1 34a_100000736752_100000038929 [0,0,0,1,0,0|3,0,0]=4 5010 B16R1.1275 CC(=O)SCCCOCCCC1CCCC1 34a_100011215328_100000038929 [0,0,0,1,0,0|3,0,0]=4 5011 B16R1.1275 CC(=O)SCCCOCCCC1CCCC1 7a_100011215328_100000038929 [0,0,0,1,0,0|3,0,0]=4 5012 B16R1.1275 CC(=O)SCCCSCCCC1CCCC1 62a_100000038929_100011713738 [0,0,0,1,0,0|3,0,0]=4 5013 B16R1.1275 CC(=O)SCCCSCCCC1CCCC1 62a_100011713738_100000038929 [0,0,0,1,0,0|3,0,0]=4 5014 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [0,0,0,1,0,0|2,0,0]=3 5015 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [0,0,0,1,0,0|2,0,0]=3 5016 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [0,0,0,1,0,0|2,0,0]=3 5017 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [0,0,0,1,0,0|2,0,0]=3 5018 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [0,0,0,1,0,0|2,0,0]=3 5019 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [0,0,0,1,0,0|2,0,0]=3 5020 B16R1.1275 NC(=O)CCCCCOCCC1CCNC1 34a_100016987287_100009817443 [0,0,0,1,0,0|3,0,0]=4 5021 B16R1.1275 NC(=O)CCCCCOCCC1CCOC1 34a_100011879284_100009817443 [0,0,0,1,0,0|3,0,0]=4 5022 B16R1.1275 NC(=O)CCCCCOCCN1CCCC1 7a_100000123541_100000004467 [0,0,0,1,0,0|3,0,0]=4 5023 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [0,0,0,1,0,0|2,0,0]=3 5024 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [0,0,0,1,0,0|2,0,0]=3 5025 B16R1.1275 NC(=O)CCCCCSCCN1CCCC1 62a_100000700749_100009817443 [0,0,0,1,0,0|3,0,0]=4 5026 B16R1.1275 NC(=O)CCCCCSCCN1CCCC1 62a_100009817443_100000004467 [0,0,0,1,0,0|3,0,0]=4 5027 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [0,0,0,1,0,0|2,0,0]=3 5028 B16R1.1275 NC(=O)CCCCNCCCN1CCCC1 34a_100000696515_100016991639 [0,0,0,1,0,0|3,0,0]=4 5029 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [0,0,0,1,0,0|2,0,0]=3 5030 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [0,0,0,1,0,0|2,0,0]=3 5031 B16R1.1275 NC(=O)CCCCOCCCN1CCCC1 34a_100012022536_100016991639 [0,0,0,1,0,0|3,0,0]=4 5032 B16R1.1275 NC(=O)CCCCOCCCN1CCCC1 7a_100012022536_100011445909 [0,0,0,1,0,0|3,0,0]=4 5033 B16R1.1275 NC(=O)CCCNCCCOC1CCCC1 34a_100000747560_100102525003 [0,0,0,1,0,0|3,0,0]=4 5034 B16R1.1275 NC(=O)COCCNCCCC1CCCC1 2230a_100000736752_100000076697 [0,0,0,1,0,0|3,0,0]=4 5035 B16R1.1275 NC(=O)COCCNCCCC1CCCC1 34a_100000736752_100000076697 [0,0,0,1,0,0|3,0,0]=4 5036 B16R1.1275 NC(=O)COCCOCCCC1CCCC1 34a_100011215328_100000076697 [0,0,0,1,0,0|3,0,0]=4 5037 B16R1.1275 NC(=O)COCCOCCCC1CCCC1 7a_100011215328_100000076697 [0,0,0,1,0,0|3,0,0]=4 5038 B16R1.1275 NC(=O)COCCSCCCC1CCCC1 62a_100000076697_100011713738 [0,0,0,1,0,0|3,0,0]=4 5039 B16R1.1275 NC(=O)COCCSCCCC1CCCC1 62a_100011713738_100000076697 [0,0,0,1,0,0|3,0,0]=4 5040 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [0,0,0,1,0,0|2,0,0]=3 5041 B16R1.1275 O=C(O)COCCNCCCN1CCCC1 269956a_100000700818_100011445909 [0,0,0,1,0,0|3,0,0]=4 5042 B16R1.1275 O=C(O)COCCOCCNC1CCCC1 269956a_100009854275_100000179811 [0,0,0,1,0,0|3,0,0]=4 5043 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [0,0,0,1,0,0|1,0,1]=3 5044 B16R1.1275 O=C([O-])CCCCCOCCN1CCCC1 7a_100102619762_100000004467 [0,0,0,1,0,0|2,0,1]=4 5045 B16R1.1275 O=[N+]([O-])CCCCOCCCC1CCCC1 34a_200015379883_100011713738 [0,0,0,1,0,0|2,0,1]=4 5046 B16R1.1275 O=[N+]([O-])CCCCOCCCC1CCCC1 7a_200015379883_100011713738 [0,0,0,1,0,0|2,0,1]=4 5047 B16R1.1275 OB(O)CCCCCCNCC1CCCC1 2230a_100000737975_100009817187 [0,0,0,1,0,0|2,0,1]=4 5048 B16R1.1275 OB(O)CCCCCCNCC1CCCC1 34a_100000737975_100009817187 [0,0,0,1,0,0|2,0,1]=4 5049 B16R1.1275 OB(O)CCCCCCOCC1CCCC1 34a_100000742336_100009817187 [0,0,0,1,0,0|2,0,1]=4 5050 B16R1.1275 OB(O)CCCCCCOCC1CCCC1 7a_100000742336_100009817187 [0,0,0,1,0,0|2,0,1]=4 5051 B16R1.1275 OB(O)CCCCCCSCC1CCCC1 62a_100000740388_100009817187 [0,0,0,1,0,0|2,0,1]=4 5052 B16R1.1275 OB(O)CCCCCCSCC1CCCC1 62a_100009817187_100000740388 [0,0,0,1,0,0|2,0,1]=4 5053 B16R1.1275 OB(O)CCCCCNCCC1CCCC1 2230a_100000739158_200009817188 [0,0,0,1,0,0|2,0,1]=4 5054 B16R1.1275 OB(O)CCCCCNCCC1CCCC1 34a_100000739158_200009817188 [0,0,0,1,0,0|2,0,1]=4 5055 B16R1.1275 OB(O)CCCCCOCCC1CCCC1 34a_100000749090_200009817188 [0,0,0,1,0,0|2,0,1]=4 5056 B16R1.1275 OB(O)CCCCCOCCC1CCCC1 7a_100000749090_200009817188 [0,0,0,1,0,0|2,0,1]=4 5057 B16R1.1275 OB(O)CCCCCSCCC1CCCC1 62a_100000760354_200009817188 [0,0,0,1,0,0|2,0,1]=4 5058 B16R1.1275 OB(O)CCCCCSCCC1CCCC1 62a_200009817188_100000760354 [0,0,0,1,0,0|2,0,1]=4 5059 B16R1.1275 OB(O)CCCCNCCCC1CCCC1 2230a_100000736752_200009817182 [0,0,0,1,0,0|2,0,1]=4 5060 B16R1.1275 OB(O)CCCCNCCCC1CCCC1 34a_100000736752_200009817182 [0,0,0,1,0,0|2,0,1]=4 5061 B16R1.1275 OB(O)CCCCOCCCC1CCCC1 34a_100011215328_200009817182 [0,0,0,1,0,0|2,0,1]=4 5062 B16R1.1275 OB(O)CCCCOCCCC1CCCC1 7a_100011215328_200009817182 [0,0,0,1,0,0|2,0,1]=4 5063 B16R1.1275 OB(O)CCCCSCCCC1CCCC1 62a_100011713738_200009817182 [0,0,0,1,0,0|2,0,1]=4 5064 B16R1.1275 OB(O)CCCCSCCCC1CCCC1 62a_200009817182_100011713738 [0,0,0,1,0,0|2,0,1]=4 5065 B16R1.1352 CCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000749056 [0,0,0,1,0,0|3,0,0]=4 5066 B16R1.1352 CCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000749056 [0,0,0,1,0,0|3,0,0]=4 5067 B16R1.1352 CCC1CCCN1CCCCCCB(O)O 2230a_100000754278_100009817187 [0,0,0,1,0,0|2,0,1]=4 5068 B16R1.1352 CCC1CCCN1CCCCCCB(O)O 269982a_100000754278_100009817187 [0,0,0,1,0,0|2,0,1]=4 5069 B16R1.1352 CCC1CCCN1CCCCCCB(O)O 34a_100000754278_100009817187 [0,0,0,1,0,0|2,0,1]=4 5070 B16R1.1352 CCC1CCCN1CCCCCOC(=O)C 2230a_100000754278_100009813381 [0,0,0,1,0,0|3,0,0]=4 5071 B16R1.1352 CCC1CCCN1CCCCCOC(=O)C 269982a_100000754278_100000033007 [0,0,0,1,0,0|3,0,0]=4 5072 B16R1.1352 CCC1CCCN1CCCCCOC(=O)C 34a_100000754278_100000033007 [0,0,0,1,0,0|3,0,0]=4 5073 B16R1.1352 CCN1CCC[C@@H]1COCCCCC(=O)C 34a_100011739246_100009817362 [0,0,0,1,0,0|3,0,0]=4 5074 B16R1.1352 CCN1CCC[C@@H]1COCCCCC(=O)C 7a_100011739246_100000735457 [0,0,0,1,0,0|3,0,0]=4 5075 B16R1.1424 C#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215417 [0,0,0,1,0,0|1,0,2]=4 5076 B16R1.1424 C=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011713584 [0,0,0,1,0,0|1,0,2]=4 5077 B16R1.1424 CC/C=C\CN1CCCCC1CCC(=O)O 269956a_100000694054_100103147603 [0,0,0,1,0,0|1,0,2]=4 5078 B16R1.1424 CCC#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100009813939 [0,0,0,1,0,0|1,0,2]=4 5079 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [0,0,0,1,0,0|1,0,0]=2 5080 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [0,0,0,1,0,0|2,0,0]=3 5081 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [0,0,0,1,0,0|2,0,0]=3 5082 B16R1.1424 COCCCC1CCCCN1CCC(=O)C 269982a_100011804088_100000053229 [0,0,0,1,0,0|3,0,0]=4 5083 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 2230a_100011804088_100000744528 [0,0,0,1,0,0|3,0,0]=4 5084 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 269982a_100011804088_100000744528 [0,0,0,1,0,0|3,0,0]=4 5085 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 34a_100011804088_100000731001 [0,0,0,1,0,0|3,0,0]=4 5086 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [0,0,0,1,0,0|2,0,0]=3 5087 B16R1.1424 N#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000687738 [0,0,0,1,0,0|2,0,1]=4 5088 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [0,0,0,1,0,0|2,0,0]=3 5089 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [0,0,0,1,0,0|2,0,0]=3 5090 B16R1.1424 O=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_200011292268 [0,0,0,1,0,0|2,0,1]=4 5091 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [0,0,0,1,0,0|2,0,0]=3 5092 B16R1.1442 CCCCCC1CCCC1NCCC(C)O 269862a_200000755665_200000198059 [0,0,0,1,0,0|2,0,1]=4 5093 B16R1.1442 CCCCCC1CCCC1NCCC(C)O 270004a_200000755665_200000198059 [0,0,0,1,0,0|2,0,1]=4 5094 B16R1.3900 C#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012094781 [0,0,0,1,0,0|1,0,2]=4 5095 B16R1.3900 C#CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100010269958 [0,0,0,1,0,0|1,0,2]=4 5096 B16R1.3900 C=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000700193 [0,0,0,1,0,0|1,0,2]=4 5097 B16R1.3900 C=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215482 [0,0,0,1,0,0|1,0,2]=4 5098 B16R1.3900 CC/C=C\CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100015370543 [0,0,0,1,0,0|1,0,2]=4 5099 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [0,0,0,1,0,0|2,0,0]=3 5100 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [0,0,0,1,0,0|2,0,0]=3 5101 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [0,0,0,1,0,0|2,0,0]=3 5102 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [0,0,0,1,0,0|1,0,0]=2 5103 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [0,0,0,1,0,0|2,0,0]=3 5104 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [0,0,0,1,0,0|2,0,0]=3 5105 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [0,0,0,1,0,0|2,0,0]=3 5106 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [0,0,0,1,0,0|1,0,0]=2 5107 B16R1.3900 CCCCOCCN1CCCCC1C(=O)N 2230a_100000181395_100000743108 [0,0,0,1,0,0|3,0,0]=4 5108 B16R1.3900 CCCCOCCN1CCCCC1C(=O)N 269982a_100000181395_100000743108 [0,0,0,1,0,0|3,0,0]=4 5109 B16R1.3900 CCCCOCCN1CCCCC1C(=O)N 34a_100000181395_100000743108 [0,0,0,1,0,0|3,0,0]=4 5110 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [0,0,0,1,0,0|2,0,0]=3 5111 B16R1.3900 CCCCOCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000743108 [0,0,0,1,0,0|3,0,0]=4 5112 B16R1.3900 CCCCOCCN1CCSCC1C(=O)O 269956a_100011346106_100000743108 [0,0,0,1,0,0|3,0,0]=4 5113 B16R1.3900 CCCCOCCN1CSCCC1C(=O)O 269956a_100015185162_100000743108 [0,0,0,1,0,0|3,0,0]=4 5114 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [0,0,0,1,0,0|2,0,0]=3 5115 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [0,0,0,1,0,0|2,0,0]=3 5116 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [0,0,0,1,0,0|2,0,0]=3 5117 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [0,0,0,1,0,0|2,0,0]=3 5118 B16R1.3900 COCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000695917 [0,0,0,1,0,0|3,0,0]=4 5119 B16R1.3900 COCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000231047 [0,0,0,1,0,0|3,0,0]=4 5120 B16R1.3900 N#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813376 [0,0,0,1,0,0|2,0,1]=4 5121 B16R1.3900 N#CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011219923 [0,0,0,1,0,0|2,0,1]=4 5122 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 2230a_100000181395_100015922095 [0,0,0,1,0,0|3,0,0]=4 5123 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 269982a_100000181395_100015922095 [0,0,0,1,0,0|3,0,0]=4 5124 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 34a_100000181395_100015922095 [0,0,0,1,0,0|3,0,0]=4 5125 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 2230a_100000181395_100000766143 [0,0,0,1,0,0|3,0,0]=4 5126 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 269982a_100000181395_100000766143 [0,0,0,1,0,0|3,0,0]=4 5127 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 34a_100000181395_100000766143 [0,0,0,1,0,0|3,0,0]=4 5128 B16R1.3900 O=C(O)C1CCSCN1CCCCCCF 269956a_100015185162_100015922095 [0,0,0,1,0,0|3,0,0]=4 5129 B16R1.3900 O=C(O)C1CCSCN1CCCCCCO 269956a_100015185162_100000766143 [0,0,0,1,0,0|3,0,0]=4 5130 B16R1.3900 O=C(O)C1CSCCN1CCCCCCF 269956a_100011346106_100015922095 [0,0,0,1,0,0|3,0,0]=4 5131 B16R1.3900 O=C(O)C1CSCCN1CCCCCCO 269956a_100011346106_100000766143 [0,0,0,1,0,0|3,0,0]=4 5132 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [0,0,0,1,0,0|2,0,0]=3 5133 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [0,0,0,1,0,0|2,0,0]=3 5134 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCOCCO 269956a_100009816435_100011215305 [0,0,0,1,0,0|3,0,0]=4 5135 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [0,0,0,1,0,0|2,0,0]=3 5136 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [0,0,0,1,0,0|2,0,0]=3 5137 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCF 269956a_100016993156_100015922095 [0,0,0,1,0,0|3,0,0]=4 5138 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCO 269956a_100016993156_100000766143 [0,0,0,1,0,0|3,0,0]=4 5139 B16R1.3900 O=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139337 [0,0,0,1,0,0|2,0,1]=4 5140 B16R1.3900 O=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000139335 [0,0,0,1,0,0|2,0,1]=4 5141 B16R1.4698 CCCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210759 [0,0,0,1,0,0|2,0,1]=4 5142 B16R1.4698 CCCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210759 [0,0,0,1,0,0|2,0,1]=4 5143 B16R1.5450 C#CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000688953 [0,0,0,1,0,0|1,0,2]=4 5144 B16R1.5450 C/C=C/CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100102629194 [0,0,0,1,0,0|1,0,2]=4 5145 B16R1.5450 C=CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000754431 [0,0,0,1,0,0|1,0,2]=4 5146 B16R1.5450 CC#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000748600 [0,0,0,1,0,0|1,0,2]=4 5147 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [0,0,0,1,0,0|1,0,0]=2 5148 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [0,0,0,1,0,0|2,0,0]=3 5149 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [0,0,0,1,0,0|2,0,0]=3 5150 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [0,0,0,1,0,0|2,0,0]=3 5151 B16R1.5450 N#CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215226 [0,0,0,1,0,0|2,0,1]=4 5152 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [0,0,0,1,0,0|2,0,0]=3 5153 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [0,0,0,1,0,0|2,0,0]=3 5154 B16R1.6690 C#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276617 [0,0,0,1,0,0|1,0,2]=4 5155 B16R1.6690 C=CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215473 [0,0,0,1,0,0|1,0,2]=4 5156 B16R1.6690 CCCCCC#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009816472 [0,0,0,1,0,0|1,0,2]=4 5157 B16R1.6690 CCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210759 [0,0,0,1,0,0|1,0,2]=4 5158 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [0,0,0,1,0,0|2,0,0]=3 5159 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [0,0,0,1,0,0|1,0,0]=2 5160 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [0,0,0,1,0,0|2,0,0]=3 5161 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [0,0,0,1,0,0|2,0,0]=3 5162 B16R1.6690 CCCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210314 [0,0,0,1,0,0|3,0,0]=4 5163 B16R1.6690 CCCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210314 [0,0,0,1,0,0|3,0,0]=4 5164 B16R1.6690 CCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210314 [0,0,0,1,0,0|3,0,0]=4 5165 B16R1.6690 CCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210314 [0,0,0,1,0,0|3,0,0]=4 5166 B16R1.6690 CCOCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011211534 [0,0,0,1,0,0|3,0,0]=4 5167 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011998445 [0,0,0,1,0,0|3,0,0]=4 5168 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [0,0,0,1,0,0|2,0,0]=3 5169 B16R1.6690 COCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100011998445 [0,0,0,1,0,0|3,0,0]=4 5170 B16R1.6690 COCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011998445 [0,0,0,1,0,0|3,0,0]=4 5171 B16R1.6690 COCCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011216529 [0,0,0,1,0,0|3,0,0]=4 5172 B16R1.6690 N#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813337 [0,0,0,1,0,0|2,0,1]=4 5173 B16R1.6690 NC(=O)[C@@H]1CCCN1CCCCCCCO 2230a_100000003125_100000760002 [0,0,0,1,0,0|3,0,0]=4 5174 B16R1.6690 O=C(O)C1SCCN1CCCCCCCO 269956a_100000035718_100000760002 [0,0,0,1,0,0|3,0,0]=4 5175 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [0,0,0,1,0,0|2,0,0]=3 5176 B16R1.6690 O=C(O)[C@@H]1CSCN1CCCCCCCO 269956a_100000743924_100000760002 [0,0,0,1,0,0|3,0,0]=4 5177 B16R1.7037 C#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100010269958 [0,0,0,1,0,0|1,0,2]=4 5178 B16R1.7037 C=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215482 [0,0,0,1,0,0|1,0,2]=4 5179 B16R1.7037 CC/C=C\CCN1CCCCCC1C(=O)O 269956a_100000758484_100015370543 [0,0,0,1,0,0|1,0,2]=4 5180 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [0,0,0,1,0,0|1,0,0]=2 5181 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [0,0,0,1,0,0|2,0,0]=3 5182 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [0,0,0,1,0,0|2,0,0]=3 5183 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [0,0,0,1,0,0|2,0,0]=3 5184 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [0,0,0,1,0,0|2,0,0]=3 5185 B16R1.7037 COCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000231047 [0,0,0,1,0,0|3,0,0]=4 5186 B16R1.7037 N#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011219923 [0,0,0,1,0,0|2,0,1]=4 5187 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [0,0,0,1,0,0|2,0,0]=3 5188 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [0,0,0,1,0,0|2,0,0]=3 5189 B16R1.7037 O=C(O)C1CCCCCN1CCOCCO 269956a_100000758484_100011215305 [0,0,0,1,0,0|3,0,0]=4 5190 B16R1.7037 O=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000139335 [0,0,0,1,0,0|2,0,1]=4 5191 B16R1.8377 CCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210759 [0,0,0,1,0,0|2,0,1]=4 5192 B16R1.8377 CCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210759 [0,0,0,1,0,0|2,0,1]=4 5193 B16R1.8377 CCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210759 [0,0,0,1,0,0|3,0,0]=4 5194 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O 1458a_100000070787_200009990614 [0,0,0,1,0,0|2,0,1]=4 5195 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [0,0,0,1,0,0|2,0,0]=3 5196 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [0,0,0,1,0,0|2,0,0]=3 5197 B16R1.12272 CC(=O)OCCCN1CCCCCCCC1 269982a_100000039187_100000042594 [0,0,0,1,0,0|3,0,0]=4 5198 B16R1.12272 CC(=O)OCCCN1CCCCCCCC1 34a_100000039187_100000042594 [0,0,0,1,0,0|3,0,0]=4 5199 B16R1.12272 CC(=O)SCCCN1CCCCCCCC1 2230a_100000039187_100000038929 [0,0,0,1,0,0|3,0,0]=4 5200 B16R1.12272 CC(=O)SCCCN1CCCCCCCC1 269982a_100000039187_100000038929 [0,0,0,1,0,0|3,0,0]=4 5201 B16R1.12272 CC(=O)SCCCN1CCCCCCCC1 34a_100000039187_100000038929 [0,0,0,1,0,0|3,0,0]=4 5202 B16R1.12272 CS(=O)CCCNC1CCCCCCCC1 270004a_200000753449_100000038600 [0,0,0,1,0,0|3,0,0]=4 5203 B16R1.12272 NC(=O)COCCN1CCCCCCCC1 2230a_100000039187_100000076697 [0,0,0,1,0,0|3,0,0]=4 5204 B16R1.12272 NC(=O)COCCN1CCCCCCCC1 269982a_100000039187_100000076697 [0,0,0,1,0,0|3,0,0]=4 5205 B16R1.12272 NC(=O)COCCN1CCCCCCCC1 34a_100000039187_100000076697 [0,0,0,1,0,0|3,0,0]=4 5206 B16R1.12272 OB(O)CCCCN1CCCCCCCC1 2230a_100000039187_200009817182 [0,0,0,1,0,0|2,0,1]=4 5207 B16R1.12272 OB(O)CCCCN1CCCCCCCC1 269982a_100000039187_200009817182 [0,0,0,1,0,0|2,0,1]=4 5208 B16R1.12272 OB(O)CCCCN1CCCCCCCC1 34a_100000039187_200009817182 [0,0,0,1,0,0|2,0,1]=4 5209 B16R1.12321 CC(=O)NCCCCCCNCC1CCC1 2230a_200011996284_100000763275 [0,0,0,1,0,0|3,0,0]=4 5210 B16R1.12321 CC(=O)NCCCCCCNCC1CCC1 269862a_200011996284_100000753134 [0,0,0,1,0,0|3,0,0]=4 5211 B16R1.12321 CC(=O)NCCCCCCNCC1CCC1 34a_200011996284_100000763275 [0,0,0,1,0,0|3,0,0]=4 5212 B16R1.12321 CC(=O)SCCCCCCNCC1CCC1 269862a_100000704104_100000753134 [0,0,0,1,0,0|3,0,0]=4 5213 B16R1.12321 O=C(O)COCCOCCNCC1CCC1 269956a_100009854275_100000763275 [0,0,0,1,0,0|3,0,0]=4 5214 B16R1.12354 C=C(C)CCNCCC1CCCCCCC1 2230a_100011532352_100000730704 [0,0,0,1,0,0|3,0,0]=4 5215 B16R1.12354 C=C(C)CCNCCC1CCCCCCC1 34a_100011532352_100000730704 [0,0,0,1,0,0|3,0,0]=4 5216 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [0,0,0,1,0,0|2,0,0]=3 5217 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [0,0,0,1,0,0|2,0,0]=3 5218 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [0,0,0,1,0,0|2,0,0]=3 5219 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [0,0,0,1,0,0|2,0,0]=3 5220 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [0,0,0,1,0,0|2,0,0]=3 5221 B16R1.12354 CC(=O)NCCCNC1CCCCCCC1 270004a_100000736810_100000210524 [0,0,0,1,0,0|3,0,0]=4 5222 B16R1.12354 CC(=O)NCCOCC1CCCCCCC1 7a_100011216312_100000189650 [0,0,0,1,0,0|3,0,0]=4 5223 B16R1.12354 CC(=O)OCCCCN1CCCCCCC1 269982a_100000211400_100000033659 [0,0,0,1,0,0|3,0,0]=4 5224 B16R1.12354 CC(=O)OCCCCN1CCCCCCC1 34a_100000211400_100000033659 [0,0,0,1,0,0|3,0,0]=4 5225 B16R1.12354 CC(=O)OCCCNC1CCCCCCC1 34a_100000211152_100000042594 [0,0,0,1,0,0|3,0,0]=4 5226 B16R1.12354 CC(=O)OCCCOC1CCCCCCC1 34a_100000210054_100000042594 [0,0,0,1,0,0|3,0,0]=4 5227 B16R1.12354 CC(=O)OCCCOC1CCCCCCC1 7a_100000210054_100000042594 [0,0,0,1,0,0|3,0,0]=4 5228 B16R1.12354 CC(=O)OCCOCC1CCCCCCC1 34a_100011216312_100009814007 [0,0,0,1,0,0|3,0,0]=4 5229 B16R1.12354 CC(=O)OCCOCC1CCCCCCC1 7a_100011216312_100009814007 [0,0,0,1,0,0|3,0,0]=4 5230 B16R1.12354 CC(=O)OCNCCC1CCCCCCC1 34a_100011532352_100009813279 [0,0,0,1,0,0|3,0,0]=4 5231 B16R1.12354 CC(=O)SCCCCN1CCCCCCC1 2230a_100000211400_200010402107 [0,0,0,1,0,0|3,0,0]=4 5232 B16R1.12354 CC(=O)SCCCCN1CCCCCCC1 269982a_100000211400_200010402107 [0,0,0,1,0,0|3,0,0]=4 5233 B16R1.12354 CC(=O)SCCCCN1CCCCCCC1 34a_100000211400_200010402107 [0,0,0,1,0,0|3,0,0]=4 5234 B16R1.12354 CC(=O)SCCCNC1CCCCCCC1 2230a_100000211152_100000038929 [0,0,0,1,0,0|3,0,0]=4 5235 B16R1.12354 CC(=O)SCCCNC1CCCCCCC1 34a_100000211152_100000038929 [0,0,0,1,0,0|3,0,0]=4 5236 B16R1.12354 CC(=O)SCCCOC1CCCCCCC1 34a_100000210054_100000038929 [0,0,0,1,0,0|3,0,0]=4 5237 B16R1.12354 CC(=O)SCCCOC1CCCCCCC1 7a_100000210054_100000038929 [0,0,0,1,0,0|3,0,0]=4 5238 B16R1.12354 CC(O)CCCOCC1CCCCCCC1 34a_100011216312_200000718107 [0,0,0,1,0,0|2,0,1]=4 5239 B16R1.12354 CC(O)CCCOCC1CCCCCCC1 7a_100011216312_200000718107 [0,0,0,1,0,0|2,0,1]=4 5240 B16R1.12354 CC(O)CCNCCC1CCCCCCC1 2230a_100011532352_100012276601 [0,0,0,1,0,0|2,0,1]=4 5241 B16R1.12354 CC(O)CCNCCC1CCCCCCC1 34a_100011532352_100012276601 [0,0,0,1,0,0|2,0,1]=4 5242 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [0,0,0,1,0,0|2,0,0]=3 5243 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [0,0,0,1,0,0|2,0,0]=3 5244 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [0,0,0,1,0,0|2,0,0]=3 5245 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [0,0,0,1,0,0|2,0,0]=3 5246 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [0,0,0,1,0,0|2,0,0]=3 5247 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [0,0,0,1,0,0|2,0,0]=3 5248 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [0,0,0,1,0,0|2,0,0]=3 5249 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [0,0,0,1,0,0|2,0,0]=3 5250 B16R1.12354 NC(=O)COCCNC1CCCCCCC1 2230a_100000211152_100000076697 [0,0,0,1,0,0|3,0,0]=4 5251 B16R1.12354 NC(=O)COCCNC1CCCCCCC1 34a_100000211152_100000076697 [0,0,0,1,0,0|3,0,0]=4 5252 B16R1.12354 NC(=O)COCCOC1CCCCCCC1 34a_100000210054_100000076697 [0,0,0,1,0,0|3,0,0]=4 5253 B16R1.12354 NC(=O)COCCOC1CCCCCCC1 7a_100000210054_100000076697 [0,0,0,1,0,0|3,0,0]=4 5254 B16R1.12354 NC(=O)NCCOCC1CCCCCCC1 7a_100011216312_200000034859 [0,0,0,1,0,0|3,0,0]=4 5255 B16R1.12354 NC(=O)OCCOCC1CCCCCCC1 34a_100011216312_200011214921 [0,0,0,1,0,0|3,0,0]=4 5256 B16R1.12354 NC(=O)OCCOCC1CCCCCCC1 7a_100011216312_200011214921 [0,0,0,1,0,0|3,0,0]=4 5257 B16R1.12354 OB(O)CCCCCN1CCCCCCC1 2230a_100000211400_200009817188 [0,0,0,1,0,0|2,0,1]=4 5258 B16R1.12354 OB(O)CCCCCN1CCCCCCC1 269982a_100000211400_200009817188 [0,0,0,1,0,0|2,0,1]=4 5259 B16R1.12354 OB(O)CCCCCN1CCCCCCC1 34a_100000211400_200009817188 [0,0,0,1,0,0|2,0,1]=4 5260 B16R1.12354 OB(O)CCCCNC1CCCCCCC1 2230a_100000211152_200009817182 [0,0,0,1,0,0|2,0,1]=4 5261 B16R1.12354 OB(O)CCCCNC1CCCCCCC1 34a_100000211152_200009817182 [0,0,0,1,0,0|2,0,1]=4 5262 B16R1.12354 OB(O)CCCCOC1CCCCCCC1 34a_100000210054_200009817182 [0,0,0,1,0,0|2,0,1]=4 5263 B16R1.12354 OB(O)CCCCOC1CCCCCCC1 7a_100000210054_200009817182 [0,0,0,1,0,0|2,0,1]=4 5264 B16R1.17455 CCCCCCCCCCCNCC1CO1 2230a_200011215754_100011216344 [0,0,0,1,0,0|2,0,1]=4 5265 B16R1.17455 CCCCCCCCCCCNCC1CO1 34a_200011215754_102125554688 [0,0,0,1,0,0|2,0,1]=4 5266 B16R1.17455 CCCCCCCCCCCOCC1CO1 34a_100000210809_102125554688 [0,0,0,1,0,0|2,0,1]=4 5267 B16R1.17455 CCCCCCCCCCCOCC1CO1 7a_100000210809_102125554688 [0,0,0,1,0,0|2,0,1]=4 5268 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215454 [0,0,0,1,0,0|2,0,1]=4 5269 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 7a_100000210809_100000745022 [0,0,0,1,0,0|2,0,1]=4 5270 B16R1.17455 CCCCCCCCCCCSCC1CO1 62a_102125554688_100011215454 [0,0,0,1,0,0|2,0,1]=4 5271 B16R1.17455 CCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215454 [0,0,0,1,0,0|2,0,1]=4 5272 B16R1.17455 CCCCCCCCCCNCCC1CO1 2230a_100000684558_100000732470 [0,0,0,1,0,0|2,0,1]=4 5273 B16R1.17455 CCCCCCCCCCNCCC1CO1 34a_100000684558_100000732470 [0,0,0,1,0,0|2,0,1]=4 5274 B16R1.17455 CCCCCCCCCCOCCC1CO1 34a_100000210711_100000732470 [0,0,0,1,0,0|2,0,1]=4 5275 B16R1.17455 CCCCCCCCCCOCCC1CO1 7a_100000210711_100000732470 [0,0,0,1,0,0|2,0,1]=4 5276 B16R1.17455 CCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210320 [0,0,0,1,0,0|2,0,1]=4 5277 B16R1.17455 CCCCCCCCCCSCCC1CO1 62a_100000732470_100000210320 [0,0,0,1,0,0|2,0,1]=4 5278 B16R1.17455 CCCCCCCCCNCCCC1CO1 2230a_100000212291_100000733510 [0,0,0,1,0,0|2,0,1]=4 5279 B16R1.17455 CCCCCCCCCNCCCC1CO1 34a_100000212291_100000733510 [0,0,0,1,0,0|2,0,1]=4 5280 B16R1.17455 CCCCCCCCCOCCCC1CO1 34a_100000210712_100000733510 [0,0,0,1,0,0|2,0,1]=4 5281 B16R1.17455 CCCCCCCCCOCCCC1CO1 7a_100000210712_100000733510 [0,0,0,1,0,0|2,0,1]=4 5282 B16R1.17455 CCCCCCCCCSCCCC1CO1 62a_100000733510_100000210670 [0,0,0,1,0,0|2,0,1]=4 5283 B16R1.17540 C#CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100153394163 [0,0,0,1,0,0|1,0,2]=4 5284 B16R1.17540 C=CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012355270 [0,0,0,1,0,0|1,0,2]=4 5285 B16R1.17540 CCCCC#CCCCN1CCC1C(=O)O 269956a_100000021838_200000047210 [0,0,0,1,0,0|1,0,2]=4 5286 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,0,0,1,0,0|1,0,0]=2 5287 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [0,0,0,1,0,0|2,0,0]=3 5288 B16R1.18063 CC(=O)NCCCCCCNCCC1CC1 2230a_200011996284_100000694398 [0,0,0,1,0,0|3,0,0]=4 5289 B16R1.18063 CC(=O)NCCCCCCNCCC1CC1 34a_200011996284_100000694398 [0,0,0,1,0,0|3,0,0]=4 5290 B16R1.18063 O=C(O)COCCOCCNCCC1CC1 269956a_100009854275_100000694398 [0,0,0,1,0,0|3,0,0]=4 5291 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [0,0,0,1,0,0|2,0,0]=3 5292 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [0,0,0,1,0,0|2,0,0]=3 5293 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [0,0,0,1,0,0|2,0,0]=3 5294 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [0,0,0,1,0,0|2,0,0]=3 5295 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [0,0,0,1,0,0|2,0,0]=3 5296 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [0,0,0,1,0,0|2,0,0]=3 5297 B16R1.18095 CC(=O)CCCOCCN1CCCCCC1 34a_100000238007_100000685027 [0,0,0,1,0,0|3,0,0]=4 5298 B16R1.18095 CC(=O)CCCOCCN1CCCCCC1 7a_100000759063_100000722644 [0,0,0,1,0,0|3,0,0]=4 5299 B16R1.18095 CC(=O)CCCSCCN1CCCCCC1 62a_100000722644_100011215641 [0,0,0,1,0,0|3,0,0]=4 5300 B16R1.18095 CC(=O)CCCSCCN1CCCCCC1 62a_100011215641_100000722644 [0,0,0,1,0,0|3,0,0]=4 5301 B16R1.18095 CC(=O)CCOCCCN1CCCCCC1 7a_100102886287_100000053229 [0,0,0,1,0,0|3,0,0]=4 5302 B16R1.18095 CC(=O)NCCCCNC1CCCCCC1 270004a_200011368371_100000210131 [0,0,0,1,0,0|3,0,0]=4 5303 B16R1.18095 CC(=O)NCCCCNC1CCCCCC1 34a_200011368371_100011217769 [0,0,0,1,0,0|3,0,0]=4 5304 B16R1.18095 CC(=O)NCCCNCC1CCCCCC1 269862a_100000736810_200000763224 [0,0,0,1,0,0|3,0,0]=4 5305 B16R1.18095 CC(=O)NCCCNCC1CCCCCC1 34a_100000736810_200000696569 [0,0,0,1,0,0|3,0,0]=4 5306 B16R1.18095 CC(=O)NCCCOCC1CCCCCC1 34a_100000752032_200000696569 [0,0,0,1,0,0|3,0,0]=4 5307 B16R1.18095 CC(=O)NCCNCCC1CCCCCC1 2230a_100011532351_100000189650 [0,0,0,1,0,0|3,0,0]=4 5308 B16R1.18095 CC(=O)OCCCCCN1CCCCCC1 2230a_100000185865_100009813381 [0,0,0,1,0,0|3,0,0]=4 5309 B16R1.18095 CC(=O)OCCCCCN1CCCCCC1 269982a_100000185865_100000033007 [0,0,0,1,0,0|3,0,0]=4 5310 B16R1.18095 CC(=O)OCCCCCN1CCCCCC1 34a_100000185865_100000033007 [0,0,0,1,0,0|3,0,0]=4 5311 B16R1.18095 CC(=O)OCCCCNC1CCCCCC1 34a_100000210984_100000033659 [0,0,0,1,0,0|3,0,0]=4 5312 B16R1.18095 CC(=O)OCCCCOC1CCCCCC1 34a_100000073216_100011217769 [0,0,0,1,0,0|3,0,0]=4 5313 B16R1.18095 CC(=O)OCCCCOC1CCCCCC1 34a_100000210887_100000033659 [0,0,0,1,0,0|3,0,0]=4 5314 B16R1.18095 CC(=O)OCCCCOC1CCCCCC1 7a_100000210887_100000033659 [0,0,0,1,0,0|3,0,0]=4 5315 B16R1.18095 CC(=O)OCCCCSC1CCCCCC1 62a_100000033659_100011217769 [0,0,0,1,0,0|3,0,0]=4 5316 B16R1.18095 CC(=O)OCCCCSC1CCCCCC1 62a_100011217769_100000033659 [0,0,0,1,0,0|3,0,0]=4 5317 B16R1.18095 CC(=O)OCCCNCC1CCCCCC1 34a_100015204231_100000042594 [0,0,0,1,0,0|3,0,0]=4 5318 B16R1.18095 CC(=O)OCCCOCC1CCCCCC1 34a_100000699130_100000042594 [0,0,0,1,0,0|3,0,0]=4 5319 B16R1.18095 CC(=O)OCCCOCC1CCCCCC1 7a_100000699130_100000042594 [0,0,0,1,0,0|3,0,0]=4 5320 B16R1.18095 CC(=O)OCCCSCC1CCCCCC1 62a_100000042594_200000696569 [0,0,0,1,0,0|3,0,0]=4 5321 B16R1.18095 CC(=O)OCCCSCC1CCCCCC1 62a_200000696569_100000042594 [0,0,0,1,0,0|3,0,0]=4 5322 B16R1.18095 CC(=O)OCCNCCC1CCCCCC1 34a_100011532351_100009814007 [0,0,0,1,0,0|3,0,0]=4 5323 B16R1.18095 CC(=O)SCCCCNC1CCCCCC1 2230a_100000210984_200010402107 [0,0,0,1,0,0|3,0,0]=4 5324 B16R1.18095 CC(=O)SCCCCNC1CCCCCC1 34a_100000210984_200010402107 [0,0,0,1,0,0|3,0,0]=4 5325 B16R1.18095 CC(=O)SCCCCOC1CCCCCC1 34a_100000210887_200010402107 [0,0,0,1,0,0|3,0,0]=4 5326 B16R1.18095 CC(=O)SCCCCOC1CCCCCC1 7a_100000210887_200010402107 [0,0,0,1,0,0|3,0,0]=4 5327 B16R1.18095 CC(=O)SCCCCSC1CCCCCC1 62a_100011217769_200010402107 [0,0,0,1,0,0|3,0,0]=4 5328 B16R1.18095 CC(=O)SCCCCSC1CCCCCC1 62a_200010402107_100011217769 [0,0,0,1,0,0|3,0,0]=4 5329 B16R1.18095 CC(=O)SCCCNCC1CCCCCC1 2230a_100015204231_100000038929 [0,0,0,1,0,0|3,0,0]=4 5330 B16R1.18095 CC(=O)SCCCNCC1CCCCCC1 34a_100015204231_100000038929 [0,0,0,1,0,0|3,0,0]=4 5331 B16R1.18095 CC(=O)SCCCOCC1CCCCCC1 34a_100000699130_100000038929 [0,0,0,1,0,0|3,0,0]=4 5332 B16R1.18095 CC(=O)SCCCOCC1CCCCCC1 7a_100000699130_100000038929 [0,0,0,1,0,0|3,0,0]=4 5333 B16R1.18095 CC(=O)SCCCSCC1CCCCCC1 62a_100000038929_200000696569 [0,0,0,1,0,0|3,0,0]=4 5334 B16R1.18095 CC(=O)SCCCSCC1CCCCCC1 62a_200000696569_100000038929 [0,0,0,1,0,0|3,0,0]=4 5335 B16R1.18095 CC(O)CCCNCCC1CCCCCC1 2230a_100011532351_200000718107 [0,0,0,1,0,0|2,0,1]=4 5336 B16R1.18095 CC(O)CCCNCCC1CCCCCC1 34a_100011532351_200000718107 [0,0,0,1,0,0|2,0,1]=4 5337 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [0,0,0,1,0,0|2,0,0]=3 5338 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [0,0,0,1,0,0|2,0,0]=3 5339 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [0,0,0,1,0,0|2,0,0]=3 5340 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [0,0,0,1,0,0|2,0,0]=3 5341 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [0,0,0,1,0,0|2,0,0]=3 5342 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [0,0,0,1,0,0|2,0,0]=3 5343 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [0,0,0,1,0,0|2,0,0]=3 5344 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [0,0,0,1,0,0|2,0,0]=3 5345 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [0,0,0,1,0,0|2,0,0]=3 5346 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [0,0,0,1,0,0|2,0,0]=3 5347 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [0,0,0,1,0,0|2,0,0]=3 5348 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [0,0,0,1,0,0|2,0,0]=3 5349 B16R1.18095 NC(=O)CCCOCCN1CCCCCC1 34a_100000238007_100102525003 [0,0,0,1,0,0|3,0,0]=4 5350 B16R1.18095 NC(=O)CCCSCCN1CCCCCC1 62a_100000722644_100102525003 [0,0,0,1,0,0|3,0,0]=4 5351 B16R1.18095 NC(=O)CCCSCCN1CCCCCC1 62a_100102525003_100000722644 [0,0,0,1,0,0|3,0,0]=4 5352 B16R1.18095 NC(=O)CCOCCCN1CCCCCC1 34a_100102886287_100000731001 [0,0,0,1,0,0|3,0,0]=4 5353 B16R1.18095 NC(=O)CCOCCCN1CCCCCC1 7a_100102886287_100000744528 [0,0,0,1,0,0|3,0,0]=4 5354 B16R1.18095 NC(=O)COCCCCN1CCCCCC1 34a_100011305542_100000187820 [0,0,0,1,0,0|3,0,0]=4 5355 B16R1.18095 NC(=O)COCCNCC1CCCCCC1 2230a_100015204231_100000076697 [0,0,0,1,0,0|3,0,0]=4 5356 B16R1.18095 NC(=O)COCCNCC1CCCCCC1 34a_100015204231_100000076697 [0,0,0,1,0,0|3,0,0]=4 5357 B16R1.18095 NC(=O)COCCOCC1CCCCCC1 34a_100000699130_100000076697 [0,0,0,1,0,0|3,0,0]=4 5358 B16R1.18095 NC(=O)COCCOCC1CCCCCC1 7a_100000699130_100000076697 [0,0,0,1,0,0|3,0,0]=4 5359 B16R1.18095 NC(=O)COCCSCC1CCCCCC1 62a_100000076697_200000696569 [0,0,0,1,0,0|3,0,0]=4 5360 B16R1.18095 NC(=O)COCCSCC1CCCCCC1 62a_200000696569_100000076697 [0,0,0,1,0,0|3,0,0]=4 5361 B16R1.18095 NC(=O)NCCNCCC1CCCCCC1 2230a_100011532351_200000034859 [0,0,0,1,0,0|3,0,0]=4 5362 B16R1.18095 NC(=O)OCCNCCC1CCCCCC1 34a_100011532351_200011214921 [0,0,0,1,0,0|3,0,0]=4 5363 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [0,0,0,1,0,0|2,0,0]=3 5364 B16R1.18095 O=C([O-])COCCCCN1CCCCCC1 34a_100011305542_100020667443 [0,0,0,1,0,0|2,0,1]=4 5365 B16R1.18095 O=[N+]([O-])CCCCOCC1CCCCCC1 34a_200015379883_200000696569 [0,0,0,1,0,0|2,0,1]=4 5366 B16R1.18095 O=[N+]([O-])CCCCOCC1CCCCCC1 7a_200015379883_200000696569 [0,0,0,1,0,0|2,0,1]=4 5367 B16R1.18095 OB(O)CCCCCCN1CCCCCC1 2230a_100000185865_100009817187 [0,0,0,1,0,0|2,0,1]=4 5368 B16R1.18095 OB(O)CCCCCCN1CCCCCC1 269982a_100000185865_100009817187 [0,0,0,1,0,0|2,0,1]=4 5369 B16R1.18095 OB(O)CCCCCCN1CCCCCC1 34a_100000185865_100009817187 [0,0,0,1,0,0|2,0,1]=4 5370 B16R1.18095 OB(O)CCCCCNC1CCCCCC1 2230a_100000210984_200009817188 [0,0,0,1,0,0|2,0,1]=4 5371 B16R1.18095 OB(O)CCCCCNC1CCCCCC1 34a_100000210984_200009817188 [0,0,0,1,0,0|2,0,1]=4 5372 B16R1.18095 OB(O)CCCCCOC1CCCCCC1 34a_100000210887_200009817188 [0,0,0,1,0,0|2,0,1]=4 5373 B16R1.18095 OB(O)CCCCCOC1CCCCCC1 7a_100000210887_200009817188 [0,0,0,1,0,0|2,0,1]=4 5374 B16R1.18095 OB(O)CCCCCSC1CCCCCC1 62a_100011217769_200009817188 [0,0,0,1,0,0|2,0,1]=4 5375 B16R1.18095 OB(O)CCCCCSC1CCCCCC1 62a_200009817188_100011217769 [0,0,0,1,0,0|2,0,1]=4 5376 B16R1.18095 OB(O)CCCCNCC1CCCCCC1 2230a_100015204231_200009817182 [0,0,0,1,0,0|2,0,1]=4 5377 B16R1.18095 OB(O)CCCCNCC1CCCCCC1 34a_100015204231_200009817182 [0,0,0,1,0,0|2,0,1]=4 5378 B16R1.18095 OB(O)CCCCOCC1CCCCCC1 34a_100000699130_200009817182 [0,0,0,1,0,0|2,0,1]=4 5379 B16R1.18095 OB(O)CCCCOCC1CCCCCC1 7a_100000699130_200009817182 [0,0,0,1,0,0|2,0,1]=4 5380 B16R1.18095 OB(O)CCCCSCC1CCCCCC1 62a_200000696569_200009817182 [0,0,0,1,0,0|2,0,1]=4 5381 B16R1.18095 OB(O)CCCCSCC1CCCCCC1 62a_200009817182_200000696569 [0,0,0,1,0,0|2,0,1]=4 5382 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100015343762 [0,0,0,1,0,0|2,0,0]=3 5383 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100015343762 [0,0,0,1,0,0|2,0,0]=3 5384 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100015343762 [0,0,0,1,0,0|2,0,0]=3 5385 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100103153847 [0,0,0,1,0,0|2,0,0]=3 5386 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [2,0,0,0,0,0|1,0,1]=4 5387 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [2,0,0,0,0,0|1,0,1]=4 5388 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [2,0,0,0,0,0|1,0,1]=4 5389 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [2,0,0,0,0,0|1,0,1]=4 5390 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [2,0,0,0,0,0|1,0,1]=4 5391 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [2,0,0,0,0,0|1,0,1]=4 5392 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [2,0,0,0,0,0|1,0,1]=4 5393 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [2,0,0,0,0,0|1,0,1]=4 5394 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [2,0,0,0,0,0|1,0,1]=4 5395 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [2,0,0,0,0,0|1,0,1]=4 5396 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [2,0,0,0,0,0|1,0,1]=4 5397 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [2,0,0,0,0,0|1,0,1]=4 5398 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [2,0,0,0,0,0|1,0,1]=4 5399 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [2,0,0,0,0,0|1,0,1]=4 5400 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [2,0,0,0,0,0|1,0,1]=4 5401 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [2,0,0,0,0,0|1,0,1]=4 5402 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [2,0,0,0,0,0|1,0,1]=4 5403 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [2,0,0,0,0,0|1,0,1]=4 5404 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [2,0,0,0,0,0|1,0,1]=4 5405 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [2,0,0,0,0,0|1,0,1]=4 5406 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [2,0,0,0,0,0|1,0,1]=4 5407 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [2,0,0,0,0,0|1,0,1]=4 5408 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [2,0,0,0,0,0|1,0,1]=4 5409 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [2,0,0,0,0,0|1,0,1]=4 5410 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [2,0,0,0,0,0|1,0,1]=4 5411 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [2,0,0,0,0,0|1,0,1]=4 5412 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [2,0,0,0,0,0|1,0,1]=4 5413 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [2,0,0,0,0,0|1,0,1]=4 5414 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [2,0,0,0,0,0|1,0,1]=4 5415 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [2,0,0,0,0,0|1,0,1]=4 5416 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [2,0,0,0,0,0|1,0,1]=4 5417 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [2,0,0,0,0,0|1,0,1]=4 5418 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [2,0,0,0,0,0|1,0,1]=4 5419 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [2,0,0,0,0,0|1,0,1]=4 5420 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [2,0,0,0,0,0|1,0,1]=4 5421 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [2,0,0,0,0,0|1,0,1]=4 5422 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [2,0,0,0,0,0|1,0,1]=4 5423 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [2,0,0,0,0,0|1,0,1]=4 5424 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [2,0,0,0,0,0|1,0,1]=4 5425 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [2,0,0,0,0,0|1,0,1]=4 5426 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [2,0,0,0,0,0|1,0,1]=4 5427 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [2,0,0,0,0,0|1,0,1]=4 5428 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [2,0,0,0,0,0|1,0,1]=4 5429 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [2,0,0,0,0,0|1,0,1]=4 5430 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [2,0,0,0,0,0|1,0,1]=4 5431 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [2,0,0,0,0,0|1,0,1]=4 5432 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [2,0,0,0,0,0|1,0,1]=4 5433 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [2,0,0,0,0,0|1,0,1]=4 5434 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [2,0,0,0,0,0|1,0,1]=4 5435 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [2,0,0,0,0,0|1,0,1]=4 5436 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [2,0,0,0,0,0|1,0,1]=4 5437 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [2,0,0,0,0,0|1,0,1]=4 5438 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [2,0,0,0,0,0|1,0,1]=4 5439 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [2,0,0,0,0,0|1,0,1]=4 5440 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [2,0,0,0,0,0|1,0,1]=4 5441 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [2,0,0,0,0,0|1,0,1]=4 5442 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [2,0,0,0,0,0|1,0,1]=4 5443 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [2,0,0,0,0,0|1,0,1]=4 5444 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [2,0,0,0,0,0|1,0,1]=4 5445 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [2,0,0,0,0,0|1,0,1]=4 5446 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [2,0,0,0,0,0|1,0,1]=4 5447 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [2,0,0,0,0,0|1,0,1]=4 5448 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [2,0,0,0,0,0|1,0,1]=4 5449 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [2,0,0,0,0,0|1,0,1]=4 5450 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [2,0,0,0,0,0|1,0,1]=4 5451 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [2,0,0,0,0,0|1,0,1]=4 5452 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [2,0,0,0,0,0|1,0,1]=4 5453 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [2,0,0,0,0,0|1,0,1]=4 5454 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [2,0,0,0,0,0|1,0,1]=4 5455 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [2,0,0,0,0,0|1,0,1]=4 5456 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [2,0,0,0,0,0|1,0,1]=4 5457 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [2,0,0,0,0,0|1,0,1]=4 5458 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [2,0,0,0,0,0|2,0,0]=4 5459 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [2,0,0,0,0,0|1,0,1]=4 5460 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [2,0,0,0,0,0|1,0,1]=4 5461 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [2,0,0,0,0,0|1,0,1]=4 5462 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [2,0,0,0,0,0|2,0,0]=4 5463 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [2,0,0,0,0,0|2,0,0]=4 5464 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [2,0,0,0,0,0|1,0,0]=3 5465 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [2,0,0,0,0,0|1,0,0]=3 5466 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [2,0,0,0,0,0|1,0,1]=4 5467 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [2,0,0,0,0,0|1,0,1]=4 5468 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [2,0,0,0,0,0|2,0,0]=4 5469 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [2,0,0,0,0,0|2,0,0]=4 5470 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [2,0,0,0,0,0|2,0,0]=4 5471 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [2,0,0,0,0,0|1,0,0]=3 5472 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [2,0,0,0,0,0|1,0,0]=3 5473 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [2,0,0,0,0,0|1,0,0]=3 5474 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [2,0,0,0,0,0|1,0,0]=3 5475 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [2,0,0,0,0,0|1,0,0]=3 5476 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [2,0,0,0,0,0|1,0,0]=3 5477 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [2,0,0,0,0,0|2,0,0]=4 5478 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [2,0,0,0,0,0|1,0,1]=4 5479 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [2,0,0,0,0,0|1,0,1]=4 5480 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [2,0,0,0,0,0|1,0,1]=4 5481 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [2,0,0,0,0,0|2,0,0]=4 5482 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [2,0,0,0,0,0|2,0,0]=4 5483 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [2,0,0,0,0,0|2,0,0]=4 5484 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [2,0,0,0,0,0|1,0,0]=3 5485 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [2,0,0,0,0,0|1,0,0]=3 5486 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [2,0,0,0,0,0|1,0,0]=3 5487 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [2,0,0,0,0,0|2,0,0]=4 5488 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [2,0,0,0,0,0|1,0,0]=3 5489 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [2,0,0,0,0,0|1,0,1]=4 5490 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [2,0,0,0,0,0|1,0,1]=4 5491 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [2,0,0,0,0,0|1,0,1]=4 5492 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [2,0,0,0,0,0|1,0,1]=4 5493 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [2,0,0,0,0,0|2,0,0]=4 5494 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [2,0,0,0,0,0|2,0,0]=4 5495 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [2,0,0,0,0,0|2,0,0]=4 5496 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [2,0,0,0,0,0|2,0,0]=4 5497 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [2,0,0,0,0,0|1,0,0]=3 5498 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [2,0,0,0,0,0|1,0,0]=3 5499 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [2,0,0,0,0,0|2,0,0]=4 5500 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [2,0,0,0,0,0|1,0,1]=4 5501 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [2,0,0,0,0,0|1,0,1]=4 5502 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [2,0,0,0,0,0|1,0,1]=4 5503 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [2,0,0,0,0,0|1,0,1]=4 5504 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [2,0,0,0,0,0|2,0,0]=4 5505 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [2,0,0,0,0,0|2,0,0]=4 5506 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [2,0,0,0,0,0|2,0,0]=4 5507 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [2,0,0,0,0,0|2,0,0]=4 5508 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [2,0,0,0,0,0|2,0,0]=4 5509 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [2,0,0,0,0,0|1,0,0]=3 5510 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [2,0,0,0,0,0|1,0,0]=3 5511 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [2,0,0,0,0,0|2,0,0]=4 5512 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [2,0,0,0,0,0|1,0,0]=3 5513 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [2,0,0,0,0,0|1,0,0]=3 5514 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [2,0,0,0,0,0|1,0,1]=4 5515 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [2,0,0,0,0,0|1,0,1]=4 5516 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [2,0,0,0,0,0|1,0,1]=4 5517 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [2,0,0,0,0,0|2,0,0]=4 5518 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [2,0,0,0,0,0|2,0,0]=4 5519 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [2,0,0,0,0,0|1,0,0]=3 5520 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [2,0,0,0,0,0|1,0,0]=3 5521 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [2,0,0,0,0,0|1,0,0]=3 5522 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [2,0,0,0,0,0|1,0,0]=3 5523 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [2,0,0,0,0,0|1,0,0]=3 5524 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [2,0,0,0,0,0|2,0,0]=4 5525 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [2,0,0,0,0,0|1,0,1]=4 5526 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [2,0,0,0,0,0|1,0,1]=4 5527 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [2,0,0,0,0,0|1,0,1]=4 5528 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [2,0,0,0,0,0|1,0,1]=4 5529 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [2,0,0,0,0,0|2,0,0]=4 5530 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [2,0,0,0,0,0|2,0,0]=4 5531 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [2,0,0,0,0,0|2,0,0]=4 5532 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [2,0,0,0,0,0|2,0,0]=4 5533 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [2,0,0,0,0,0|2,0,0]=4 5534 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [2,0,0,0,0,0|2,0,0]=4 5535 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [2,0,0,0,0,0|2,0,0]=4 5536 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [2,0,0,0,0,0|2,0,0]=4 5537 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [2,0,0,0,0,0|1,0,0]=3 5538 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [2,0,0,0,0,0|1,0,0]=3 5539 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [2,0,0,0,0,0|1,0,0]=3 5540 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [2,0,0,0,0,0|1,0,0]=3 5541 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [2,0,0,0,0,0|2,0,0]=4 5542 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [2,0,0,0,0,0|2,0,0]=4 5543 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [2,0,0,0,0,0|1,0,0]=3 5544 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [2,0,0,0,0,0|1,0,0]=3 5545 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [2,0,0,0,0,0|1,0,0]=3 5546 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [2,0,0,0,0,0|1,0,1]=4 5547 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [2,0,0,0,0,0|1,0,1]=4 5548 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [2,0,0,0,0,0|2,0,0]=4 5549 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [2,0,0,0,0,0|1,0,0]=3 5550 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [2,0,0,0,0,0|1,0,0]=3 5551 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [2,0,0,0,0,0|1,0,0]=3 5552 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [2,0,0,0,0,0|2,0,0]=4 5553 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [2,0,0,0,0,0|2,0,0]=4 5554 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [2,0,0,0,0,0|2,0,0]=4 5555 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [2,0,0,0,0,0|2,0,0]=4 5556 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [2,0,0,0,0,0|1,0,0]=3 5557 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [2,0,0,0,0,0|2,0,0]=4 5558 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [2,0,0,0,0,0|2,0,0]=4 5559 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [2,0,0,0,0,0|1,0,1]=4 5560 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [2,0,0,0,0,0|1,0,1]=4 5561 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [2,0,0,0,0,0|1,0,1]=4 5562 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [2,0,0,0,0,0|1,0,1]=4 5563 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [2,0,0,0,0,0|2,0,0]=4 5564 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [2,0,0,0,0,0|2,0,0]=4 5565 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [2,0,0,0,0,0|2,0,0]=4 5566 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [2,0,0,0,0,0|2,0,0]=4 5567 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [2,0,0,0,0,0|2,0,0]=4 5568 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [2,0,0,0,0,0|2,0,0]=4 5569 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [2,0,0,0,0,0|2,0,0]=4 5570 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [2,0,0,0,0,0|1,0,0]=3 5571 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [2,0,0,0,0,0|1,0,0]=3 5572 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [2,0,0,0,0,0|2,0,0]=4 5573 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [2,0,0,0,0,0|2,0,0]=4 5574 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [2,0,0,0,0,0|1,0,0]=3 5575 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [2,0,0,0,0,0|1,0,0]=3 5576 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [2,0,0,0,0,0|2,0,0]=4 5577 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [2,0,0,0,0,0|2,0,0]=4 5578 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [2,0,0,0,0,0|1,0,0]=3 5579 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [2,0,0,0,0,0|1,0,0]=3 5580 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [2,0,0,0,0,0|2,0,0]=4 5581 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [2,0,0,0,0,0|2,0,0]=4 5582 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [2,0,0,0,0,0|1,0,0]=3 5583 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [2,0,0,0,0,0|2,0,0]=4 5584 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [2,0,0,0,0,0|1,0,0]=3 5585 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [2,0,0,0,0,0|1,0,0]=3 5586 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [2,0,0,0,0,0|1,0,0]=3 5587 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [2,0,0,0,0,0|1,0,0]=3 5588 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [2,0,0,0,0,0|2,0,0]=4 5589 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [2,0,0,0,0,0|2,0,0]=4 5590 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [2,0,0,0,0,0|2,0,0]=4 5591 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [2,0,0,0,0,0|2,0,0]=4 5592 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [2,0,0,0,0,0|2,0,0]=4 5593 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [2,0,0,0,0,0|2,0,0]=4 5594 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [2,0,0,0,0,0|2,0,0]=4 5595 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [2,0,0,0,0,0|2,0,0]=4 5596 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [2,0,0,0,0,0|2,0,0]=4 5597 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [2,0,0,0,0,0|1,0,0]=3 5598 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [2,0,0,0,0,0|1,0,0]=3 5599 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [2,0,0,0,0,0|2,0,0]=4 5600 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [2,0,0,0,0,0|2,0,0]=4 5601 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [2,0,0,0,0,0|1,0,0]=3 5602 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [2,0,0,0,0,0|1,0,0]=3 5603 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [2,0,0,0,0,0|2,0,0]=4 5604 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [2,0,0,0,0,0|2,0,0]=4 5605 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [2,0,0,0,0,0|1,0,0]=3 5606 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [2,0,0,0,0,0|1,0,0]=3 5607 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [2,0,0,0,0,0|1,0,0]=3 5608 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [2,0,0,0,0,0|1,0,0]=3 5609 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [2,0,0,0,0,0|1,0,0]=3 5610 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [2,0,0,0,0,0|2,0,0]=4 5611 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [2,0,0,0,0,0|2,0,0]=4 5612 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [2,0,0,0,0,0|2,0,0]=4 5613 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [2,0,0,0,0,0|2,0,0]=4 5614 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [2,0,0,0,0,0|2,0,0]=4 5615 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [2,0,0,0,0,0|2,0,0]=4 5616 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [2,0,0,0,0,0|1,0,0]=3 5617 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [2,0,0,0,0,0|1,0,0]=3 5618 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [2,0,0,0,0,0|2,0,0]=4 5619 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [2,0,0,0,0,0|2,0,0]=4 5620 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [2,0,0,0,0,0|2,0,0]=4 5621 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [2,0,0,0,0,0|1,0,0]=3 5622 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [2,0,0,0,0,0|1,0,0]=3 5623 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [2,0,0,0,0,0|1,0,0]=3 5624 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [2,0,0,0,0,0|1,0,0]=3 5625 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [2,0,0,0,0,0|1,0,0]=3 5626 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [2,0,0,0,0,0|1,0,0]=3 5627 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [2,0,0,0,0,0|2,0,0]=4 5628 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [2,0,0,0,0,0|2,0,0]=4 5629 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [2,0,0,0,0,0|2,0,0]=4 5630 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [2,0,0,0,0,0|2,0,0]=4 5631 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [2,0,0,0,0,0|2,0,0]=4 5632 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [2,0,0,0,0,0|2,0,0]=4 5633 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [2,0,0,0,0,0|1,0,0]=3 5634 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [2,0,0,0,0,0|1,0,0]=3 5635 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [2,0,0,0,0,0|2,0,0]=4 5636 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [2,0,0,0,0,0|2,0,0]=4 5637 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [2,0,0,0,0,0|2,0,0]=4 5638 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [2,0,0,0,0,0|2,0,0]=4 5639 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [2,0,0,0,0,0|2,0,0]=4 5640 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [2,0,0,0,0,0|2,0,0]=4 5641 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [2,0,0,0,0,0|2,0,0]=4 5642 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [2,0,0,0,0,0|2,0,0]=4 5643 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [2,0,0,0,0,0|2,0,0]=4 5644 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [2,0,0,0,0,0|2,0,0]=4 5645 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [2,0,0,0,0,0|2,0,0]=4 5646 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [2,0,0,0,0,0|2,0,0]=4 5647 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [2,0,0,0,0,0|2,0,0]=4 5648 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [2,0,0,0,0,0|2,0,0]=4 5649 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [2,0,0,0,0,0|2,0,0]=4 5650 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [2,0,0,0,0,0|2,0,0]=4 5651 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [2,0,0,0,0,0|2,0,0]=4 5652 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [2,0,0,0,0,0|2,0,0]=4 5653 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [2,0,0,0,0,0|2,0,0]=4 5654 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [2,0,0,0,0,0|2,0,0]=4 5655 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [2,0,0,0,0,0|2,0,0]=4 5656 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [2,0,0,0,0,0|2,0,0]=4 5657 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [2,0,0,0,0,0|2,0,0]=4 5658 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [2,0,0,0,0,0|1,0,0]=3 5659 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [2,0,0,0,0,0|1,0,0]=3 5660 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [2,0,0,0,0,0|2,0,0]=4 5661 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [2,0,0,0,0,0|2,0,0]=4 5662 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [2,0,0,0,0,0|2,0,0]=4 5663 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [2,0,0,0,0,0|2,0,0]=4 5664 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [2,0,0,0,0,0|2,0,0]=4 5665 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [2,0,0,0,0,0|1,0,0]=3 5666 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [2,0,0,0,0,0|1,0,0]=3 5667 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [2,0,0,0,0,0|2,0,0]=4 5668 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [2,0,0,0,0,0|2,0,0]=4 5669 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [2,0,0,0,0,0|2,0,0]=4 5670 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [2,0,0,0,0,0|2,0,0]=4 5671 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [2,0,0,0,0,0|2,0,0]=4 5672 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [2,0,0,0,0,0|1,0,0]=3 5673 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [2,0,0,0,0,0|2,0,0]=4 5674 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [2,0,0,0,0,0|2,0,0]=4 5675 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [2,0,0,0,0,0|2,0,0]=4 5676 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [2,0,0,0,0,0|2,0,0]=4 5677 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [2,0,0,0,0,0|2,0,0]=4 5678 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [2,0,0,0,0,0|2,0,0]=4 5679 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [2,0,0,0,0,0|2,0,0]=4 5680 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [2,0,0,0,0,0|2,0,0]=4 5681 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [2,0,0,0,0,0|2,0,0]=4 5682 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [2,0,0,0,0,0|2,0,0]=4 5683 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [2,0,0,0,0,0|2,0,0]=4 5684 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [2,0,0,0,0,0|2,0,0]=4 5685 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [2,0,0,0,0,0|2,0,0]=4 5686 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [2,0,0,0,0,0|2,0,0]=4 5687 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [2,0,0,0,0,0|2,0,0]=4 5688 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [2,0,0,0,0,0|1,0,0]=3 5689 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [2,0,0,0,0,0|1,0,0]=3 5690 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [2,0,0,0,0,0|2,0,0]=4 5691 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [2,0,0,0,0,0|2,0,0]=4 5692 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [2,0,0,0,0,0|2,0,0]=4 5693 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [2,0,0,0,0,0|2,0,0]=4 5694 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [2,0,0,0,0,0|2,0,0]=4 5695 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [2,0,0,0,0,0|1,0,0]=3 5696 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [2,0,0,0,0,0|1,0,0]=3 5697 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [2,0,0,0,0,0|1,0,0]=3 5698 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [2,0,0,0,0,0|2,0,0]=4 5699 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [2,0,0,0,0,0|2,0,0]=4 5700 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [2,0,0,0,0,0|2,0,0]=4 5701 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [2,0,0,0,0,0|2,0,0]=4 5702 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [2,0,0,0,0,0|2,0,0]=4 5703 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [2,0,0,0,0,0|1,0,0]=3 5704 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [2,0,0,0,0,0|2,0,0]=4 5705 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [2,0,0,0,0,0|2,0,0]=4 5706 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [2,0,0,0,0,0|2,0,0]=4 5707 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [2,0,0,0,0,0|2,0,0]=4 5708 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [2,0,0,0,0,0|2,0,0]=4 5709 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [2,0,0,0,0,0|2,0,0]=4 5710 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [2,0,0,0,0,0|2,0,0]=4 5711 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [2,0,0,0,0,0|2,0,0]=4 5712 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [2,0,0,0,0,0|2,0,0]=4 5713 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [2,0,0,0,0,0|2,0,0]=4 5714 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [2,0,0,0,0,0|2,0,0]=4 5715 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [2,0,0,0,0,0|2,0,0]=4 5716 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [2,0,0,0,0,0|2,0,0]=4 5717 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [2,0,0,0,0,0|2,0,0]=4 5718 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [2,0,0,0,0,0|2,0,0]=4 5719 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [2,0,0,0,0,0|2,0,0]=4 5720 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [2,0,0,0,0,0|2,0,0]=4 5721 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [2,0,0,0,0,0|2,0,0]=4 5722 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [2,0,0,0,0,0|2,0,0]=4 5723 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [2,0,0,0,0,0|2,0,0]=4 5724 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [2,0,0,0,0,0|2,0,0]=4 5725 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [2,0,0,0,0,0|2,0,0]=4 5726 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [2,0,0,0,0,0|1,0,0]=3 5727 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [2,0,0,0,0,0|1,0,0]=3 5728 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [2,0,0,0,0,0|2,0,0]=4 5729 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [2,0,0,0,0,0|2,0,0]=4 5730 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [2,0,0,0,0,0|2,0,0]=4 5731 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [2,0,0,0,0,0|2,0,0]=4 5732 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [2,0,0,0,0,0|2,0,0]=4 5733 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [2,0,0,0,0,0|2,0,0]=4 5734 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [2,0,0,0,0,0|2,0,0]=4 5735 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [2,0,0,0,0,0|2,0,0]=4 5736 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [2,0,0,0,0,0|2,0,0]=4 5737 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [2,0,0,0,0,0|2,0,0]=4 5738 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [2,0,0,0,0,0|1,0,0]=3 5739 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [2,0,0,0,0,0|1,0,0]=3 5740 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [2,0,0,0,0,0|1,0,0]=3 5741 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [2,0,0,0,0,0|2,0,0]=4 5742 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [2,0,0,0,0,0|2,0,0]=4 5743 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [2,0,0,0,0,0|2,0,0]=4 5744 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [2,0,0,0,0,0|2,0,0]=4 5745 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [2,0,0,0,0,0|1,0,0]=3 5746 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [2,0,0,0,0,0|2,0,0]=4 5747 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [2,0,0,0,0,0|2,0,0]=4 5748 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [2,0,0,0,0,0|2,0,0]=4 5749 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [2,0,0,0,0,0|2,0,0]=4 5750 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [2,0,0,0,0,0|2,0,0]=4 5751 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [2,0,0,0,0,0|2,0,0]=4 5752 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [2,0,0,0,0,0|2,0,0]=4 5753 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [2,0,0,0,0,0|2,0,0]=4 5754 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [2,0,0,0,0,0|2,0,0]=4 5755 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [2,0,0,0,0,0|2,0,0]=4 5756 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [2,0,0,0,0,0|2,0,0]=4 5757 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [2,0,0,0,0,0|2,0,0]=4 5758 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [2,0,0,0,0,0|2,0,0]=4 5759 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [2,0,0,0,0,0|2,0,0]=4 5760 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [2,0,0,0,0,0|2,0,0]=4 5761 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [2,0,0,0,0,0|2,0,0]=4 5762 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [2,0,0,0,0,0|2,0,0]=4 5763 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [2,0,0,0,0,0|2,0,0]=4 5764 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [2,0,0,0,0,0|2,0,0]=4 5765 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [2,0,0,0,0,0|2,0,0]=4 5766 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [2,0,0,0,0,0|2,0,0]=4 5767 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [2,0,0,0,0,0|2,0,0]=4 5768 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [2,0,0,0,0,0|2,0,0]=4 5769 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [2,0,0,0,0,0|2,0,0]=4 5770 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [2,0,0,0,0,0|2,0,0]=4 5771 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [2,0,0,0,0,0|2,0,0]=4 5772 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [2,0,0,0,0,0|2,0,0]=4 5773 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [2,0,0,0,0,0|2,0,0]=4 5774 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [2,0,0,0,0,0|2,0,0]=4 5775 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [2,0,0,0,0,0|2,0,0]=4 5776 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [2,0,0,0,0,0|2,0,0]=4 5777 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [2,0,0,0,0,0|2,0,0]=4 5778 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [2,0,0,0,0,0|2,0,0]=4 5779 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [2,0,0,0,0,0|2,0,0]=4 5780 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [2,0,0,0,0,0|1,0,0]=3 5781 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [2,0,0,0,0,0|2,0,0]=4 5782 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [2,0,0,0,0,0|2,0,0]=4 5783 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [2,0,0,0,0,0|2,0,0]=4 5784 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [2,0,0,0,0,0|2,0,0]=4 5785 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [2,0,0,0,0,0|2,0,0]=4 5786 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [2,0,0,0,0,0|2,0,0]=4 5787 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [2,0,0,0,0,0|2,0,0]=4 5788 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [2,0,0,0,0,0|2,0,0]=4 5789 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [2,0,0,0,0,0|2,0,0]=4 5790 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [2,0,0,0,0,0|2,0,0]=4 5791 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [2,0,0,0,0,0|2,0,0]=4 5792 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [2,0,0,0,0,0|2,0,0]=4 5793 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [2,0,0,0,0,0|2,0,0]=4 5794 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [2,0,0,0,0,0|2,0,0]=4 5795 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [2,0,0,0,0,0|2,0,0]=4 5796 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [2,0,0,0,0,0|2,0,0]=4 5797 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [2,0,0,0,0,0|2,0,0]=4 5798 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [2,0,0,0,0,0|2,0,0]=4 5799 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [2,0,0,0,0,0|2,0,0]=4 5800 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [2,0,0,0,0,0|2,0,0]=4 5801 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [2,0,0,0,0,0|2,0,0]=4 5802 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [2,0,0,0,0,0|2,0,0]=4 5803 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [2,0,0,0,0,0|2,0,0]=4 5804 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [2,0,0,0,0,0|2,0,0]=4 5805 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [2,0,0,0,0,0|2,0,0]=4 5806 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [2,0,0,0,0,0|2,0,0]=4 5807 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [2,0,0,0,0,0|2,0,0]=4 5808 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [2,0,0,0,0,0|2,0,0]=4 5809 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [2,0,0,0,0,0|2,0,0]=4 5810 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [2,0,0,0,0,0|2,0,0]=4 5811 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [2,0,0,0,0,0|2,0,0]=4 5812 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [2,0,0,0,0,0|2,0,0]=4 5813 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [2,0,0,0,0,0|2,0,0]=4 5814 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [2,0,0,0,0,0|2,0,0]=4 5815 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [2,0,0,0,0,0|2,0,0]=4 5816 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [2,0,0,0,0,0|2,0,0]=4 5817 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [2,0,0,0,0,0|2,0,0]=4 5818 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [2,0,0,0,0,0|2,0,0]=4 5819 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [2,0,0,0,0,0|2,0,0]=4 5820 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [2,0,0,0,0,0|2,0,0]=4 5821 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [2,0,0,0,0,0|2,0,0]=4 5822 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [2,0,0,0,0,0|2,0,0]=4 5823 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [2,0,0,0,0,0|2,0,0]=4 5824 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [2,0,0,0,0,0|2,0,0]=4 5825 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [2,0,0,0,0,0|2,0,0]=4 5826 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [2,0,0,0,0,0|2,0,0]=4 5827 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [2,0,0,0,0,0|2,0,0]=4 5828 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [2,0,0,0,0,0|2,0,0]=4 5829 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [2,0,0,0,0,0|2,0,0]=4 5830 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [2,0,0,0,0,0|2,0,0]=4 5831 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [2,0,0,0,0,0|2,0,0]=4 5832 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [2,0,0,0,0,0|2,0,0]=4 5833 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [2,0,0,0,0,0|2,0,0]=4 5834 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [2,0,0,0,0,0|2,0,0]=4 5835 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [2,0,0,0,0,0|2,0,0]=4 5836 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [2,0,0,0,0,0|2,0,0]=4 5837 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [2,0,0,0,0,0|2,0,0]=4 5838 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [2,0,0,0,0,0|2,0,0]=4 5839 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [2,0,0,0,0,0|2,0,0]=4 5840 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [2,0,0,0,0,0|2,0,0]=4 5841 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [2,0,0,0,0,0|2,0,0]=4 5842 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [2,0,0,0,0,0|2,0,0]=4 5843 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [2,0,0,0,0,0|2,0,0]=4 5844 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [2,0,0,0,0,0|2,0,0]=4 5845 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [2,0,0,0,0,0|2,0,0]=4 5846 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [2,0,0,0,0,0|2,0,0]=4 5847 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [2,0,0,0,0,0|2,0,0]=4 5848 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [2,0,0,0,0,0|2,0,0]=4 5849 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [2,0,0,0,0,0|2,0,0]=4 5850 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [2,0,0,0,0,0|2,0,0]=4 5851 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [2,0,0,0,0,0|2,0,0]=4 5852 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [2,0,0,0,0,0|2,0,0]=4 5853 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [2,0,0,0,0,0|2,0,0]=4 5854 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [2,0,0,0,0,0|2,0,0]=4 5855 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [2,0,0,0,0,0|2,0,0]=4 5856 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [2,0,0,0,0,0|2,0,0]=4 5857 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [2,0,0,0,0,0|2,0,0]=4 5858 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [2,0,0,0,0,0|2,0,0]=4 5859 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [2,0,0,0,0,0|2,0,0]=4 5860 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [2,0,0,0,0,0|2,0,0]=4 5861 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [2,0,0,0,0,0|2,0,0]=4 5862 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [2,0,0,0,0,0|2,0,0]=4 5863 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [2,0,0,0,0,0|2,0,0]=4 5864 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [2,0,0,0,0,0|2,0,0]=4 5865 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [2,0,0,0,0,0|2,0,0]=4 5866 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [2,0,0,0,0,0|2,0,0]=4 5867 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [2,0,0,0,0,0|2,0,0]=4 5868 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [2,0,0,0,0,0|2,0,0]=4 5869 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [2,0,0,0,0,0|2,0,0]=4 5870 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [2,0,0,0,0,0|2,0,0]=4 5871 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [2,0,0,0,0,0|2,0,0]=4 5872 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [2,0,0,0,0,0|2,0,0]=4 5873 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [2,0,0,0,0,0|2,0,0]=4 5874 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [2,0,0,0,0,0|2,0,0]=4 5875 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [2,0,0,0,0,0|2,0,0]=4 5876 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [2,0,0,0,0,0|2,0,0]=4 5877 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [2,0,0,0,0,0|2,0,0]=4 5878 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [2,0,0,0,0,0|2,0,0]=4 5879 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [2,0,0,0,0,0|2,0,0]=4 5880 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [2,0,0,0,0,0|2,0,0]=4 5881 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [2,0,0,0,0,0|2,0,0]=4 5882 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [2,0,0,0,0,0|2,0,0]=4 5883 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [2,0,0,0,0,0|2,0,0]=4 5884 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [2,0,0,0,0,0|2,0,0]=4 5885 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [2,0,0,0,0,0|2,0,0]=4 5886 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [2,0,0,0,0,0|2,0,0]=4 5887 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [2,0,0,0,0,0|2,0,0]=4 5888 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [2,0,0,0,0,0|2,0,0]=4 5889 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [2,0,0,0,0,0|2,0,0]=4 5890 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [2,0,0,0,0,0|2,0,0]=4 5891 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [2,0,0,0,0,0|2,0,0]=4 5892 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [2,0,0,0,0,0|2,0,0]=4 5893 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [2,0,0,0,0,0|2,0,0]=4 5894 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [2,0,0,0,0,0|2,0,0]=4 5895 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [2,0,0,0,0,0|2,0,0]=4 5896 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [2,0,0,0,0,0|2,0,0]=4 5897 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [2,0,0,0,0,0|2,0,0]=4 5898 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [2,0,0,0,0,0|2,0,0]=4 5899 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [2,0,0,0,0,0|2,0,0]=4 5900 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [2,0,0,0,0,0|2,0,0]=4 5901 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [2,0,0,0,0,0|2,0,0]=4 5902 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [2,0,0,0,0,0|2,0,0]=4 5903 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [2,0,0,0,0,0|2,0,0]=4 5904 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [2,0,0,0,0,0|2,0,0]=4 5905 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [2,0,0,0,0,0|2,0,0]=4 5906 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [2,0,0,0,0,0|2,0,0]=4 5907 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [2,0,0,0,0,0|2,0,0]=4 5908 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [2,0,0,0,0,0|2,0,0]=4 5909 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [2,0,0,0,0,0|2,0,0]=4 5910 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [2,0,0,0,0,0|2,0,0]=4 5911 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [2,0,0,0,0,0|2,0,0]=4 5912 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [2,0,0,0,0,0|2,0,0]=4 5913 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [2,0,0,0,0,0|2,0,0]=4 5914 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [2,0,0,0,0,0|2,0,0]=4 5915 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [2,0,0,0,0,0|2,0,0]=4 5916 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [2,0,0,0,0,0|2,0,0]=4 5917 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [2,0,0,0,0,0|1,0,0]=3 5918 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [2,0,0,0,0,0|2,0,0]=4 5919 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [2,0,0,0,0,0|1,0,0]=3 5920 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [2,0,0,0,0,0|1,0,0]=3 5921 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [2,0,0,0,0,0|1,0,0]=3 5922 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 5923 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 5924 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 5925 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [2,0,0,0,0,0|2,0,0]=4 5926 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [2,0,0,0,0,0|2,0,0]=4 5927 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [2,0,0,0,0,0|2,0,0]=4 5928 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [2,0,0,0,0,0|2,0,0]=4 5929 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [2,0,0,0,0,0|1,0,0]=3 5930 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [2,0,0,0,0,0|1,0,1]=4 5931 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [2,0,0,0,0,0|2,0,0]=4 5932 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [2,0,0,0,0,0|2,0,0]=4 5933 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [2,0,0,0,0,0|2,0,0]=4 5934 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [2,0,0,0,0,0|1,0,1]=4 5935 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [2,0,0,0,0,0|2,0,0]=4 5936 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [2,0,0,0,0,0|1,0,1]=4 5937 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [2,0,0,0,0,0|2,0,0]=4 5938 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [2,0,0,0,0,0|2,0,0]=4 5939 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [2,0,0,0,0,0|2,0,0]=4 5940 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [2,0,0,0,0,0|2,0,0]=4 5941 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [2,0,0,0,0,0|2,0,0]=4 5942 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [2,0,0,0,0,0|2,0,0]=4 5943 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [2,0,0,0,0,0|2,0,0]=4 5944 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [2,0,0,0,0,0|2,0,0]=4 5945 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [2,0,0,0,0,0|2,0,0]=4 5946 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [2,0,0,0,0,0|2,0,0]=4 5947 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [2,0,0,0,0,0|2,0,0]=4 5948 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [2,0,0,0,0,0|2,0,0]=4 5949 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [2,0,0,0,0,0|2,0,0]=4 5950 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [2,0,0,0,0,0|2,0,0]=4 5951 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [2,0,0,0,0,0|2,0,0]=4 5952 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [2,0,0,0,0,0|2,0,0]=4 5953 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [2,0,0,0,0,0|2,0,0]=4 5954 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [2,0,0,0,0,0|2,0,0]=4 5955 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [2,0,0,0,0,0|2,0,0]=4 5956 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [2,0,0,0,0,0|2,0,0]=4 5957 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [2,0,0,0,0,0|2,0,0]=4 5958 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [2,0,0,0,0,0|2,0,0]=4 5959 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [2,0,0,0,0,0|2,0,0]=4 5960 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [2,0,0,0,0,0|2,0,0]=4 5961 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [2,0,0,0,0,0|2,0,0]=4 5962 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [2,0,0,0,0,0|2,0,0]=4 5963 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [2,0,0,0,0,0|2,0,0]=4 5964 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [2,0,0,0,0,0|2,0,0]=4 5965 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [2,0,0,0,0,0|2,0,0]=4 5966 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [2,0,0,0,0,0|2,0,0]=4 5967 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [2,0,0,0,0,0|2,0,0]=4 5968 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [2,0,0,0,0,0|2,0,0]=4 5969 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [2,0,0,0,0,0|2,0,0]=4 5970 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [2,0,0,0,0,0|2,0,0]=4 5971 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [2,0,0,0,0,0|2,0,0]=4 5972 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [2,0,0,0,0,0|2,0,0]=4 5973 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [2,0,0,0,0,0|2,0,0]=4 5974 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [2,0,0,0,0,0|2,0,0]=4 5975 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [2,0,0,0,0,0|1,0,1]=4 5976 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [2,0,0,0,0,0|2,0,0]=4 5977 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [2,0,0,0,0,0|2,0,0]=4 5978 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [2,0,0,0,0,0|2,0,0]=4 5979 B15R0.70 C#CCCCCCCCCCCOCC=O 34a_100000054667_200009817547 [1,1,0,0,0,0|0,0,2]=4 5980 B15R0.70 C#CCCCCCCCCCCOCC=O 7a_100000054667_200015260668 [1,1,0,0,0,0|0,0,2]=4 5981 B15R0.70 C#CCCCCCCCCCCOCCC 34a_100000054667_100000210303 [1,1,0,0,0,0|1,0,1]=4 5982 B15R0.70 C#CCCCCCCCCCCOCCC 7a_100000054667_100000210303 [1,1,0,0,0,0|1,0,1]=4 5983 B15R0.70 C#CCCCCCCCCCOCCCC 34a_100000034437_100000210210 [1,1,0,0,0,0|1,0,1]=4 5984 B15R0.70 C#CCCCCCCCCCOCCCC 7a_100000034437_100000210211 [1,1,0,0,0,0|1,0,1]=4 5985 B15R0.70 C#CCCCCCCCCOCCCC=O 7a_100000065265_200011292268 [1,1,0,0,0,0|0,0,2]=4 5986 B15R0.70 C#CCCCCCCCCOCCCCC 34a_100000065265_100000718602 [1,1,0,0,0,0|1,0,1]=4 5987 B15R0.70 C#CCCCCCCCCOCCCCC 7a_100000065265_100000210326 [1,1,0,0,0,0|1,0,1]=4 5988 B15R0.70 C#CCCCCCCCNCCCCCC 2230a_100000210581_100153394163 [1,1,0,0,0,0|1,0,1]=4 5989 B15R0.70 C#CCCCCCCCOCCCCC=O 7a_100000054614_100000139335 [1,1,0,0,0,0|0,0,2]=4 5990 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000054614_100000210314 [1,1,0,0,0,0|1,0,1]=4 5991 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000210259_100153394163 [1,1,0,0,0,0|1,0,1]=4 5992 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000054614_100000210314 [1,1,0,0,0,0|1,0,1]=4 5993 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000210259_100153394163 [1,1,0,0,0,0|1,0,1]=4 5994 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100000139335_100153394163 [1,1,0,0,0,0|0,0,2]=4 5995 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100153394163_100000139335 [1,1,0,0,0,0|0,0,2]=4 5996 B15R0.70 C#CCCCCCCNCCCCCCC 2230a_100000229938_100012276617 [1,1,0,0,0,0|1,0,1]=4 5997 B15R0.70 C#CCCCCCCOCCCCCC=O 7a_100011217361_100000139337 [1,1,0,0,0,0|0,0,2]=4 5998 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100000210272_100012276617 [1,1,0,0,0,0|1,0,1]=4 5999 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100011217361_100000210614 [1,1,0,0,0,0|1,0,1]=4 6000 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100000210272_100012276617 [1,1,0,0,0,0|1,0,1]=4 6001 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100011217361_100000210614 [1,1,0,0,0,0|1,0,1]=4 6002 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100000139337_100012276617 [1,1,0,0,0,0|0,0,2]=4 6003 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100012276617_100000139337 [1,1,0,0,0,0|0,0,2]=4 6004 B15R0.70 C#CCCCCCNCCCCCCCC 2230a_100000229939_100012094781 [1,1,0,0,0,0|1,0,1]=4 6005 B15R0.70 C#CCCCCCNCCCCCCCC 34a_100000229939_100012094781 [1,1,0,0,0,0|1,0,1]=4 6006 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000210232_100012094781 [1,1,0,0,0,0|1,0,1]=4 6007 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000766912_100000210759 [1,1,0,0,0,0|1,0,1]=4 6008 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000210232_100012094781 [1,1,0,0,0,0|1,0,1]=4 6009 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000766912_100000210759 [1,1,0,0,0,0|1,0,1]=4 6010 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000212291_100010269958 [1,1,0,0,0,0|1,0,1]=4 6011 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000706060_100011214924 [1,1,0,0,0,0|1,0,1]=4 6012 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000212291_100010269958 [1,1,0,0,0,0|1,0,1]=4 6013 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000706060_100011214924 [1,1,0,0,0,0|1,0,1]=4 6014 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000210712_100010269958 [1,1,0,0,0,0|1,0,1]=4 6015 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000766709_100011214924 [1,1,0,0,0,0|1,0,1]=4 6016 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000210712_100010269958 [1,1,0,0,0,0|1,0,1]=4 6017 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000766709_100000210328 [1,1,0,0,0,0|1,0,1]=4 6018 B15R0.70 C#CCCCNCCCCCCCCCC 2230a_100000684558_100000731252 [1,1,0,0,0,0|1,0,1]=4 6019 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000684558_100000695029 [1,1,0,0,0,0|1,0,1]=4 6020 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000718082_100000210320 [1,1,0,0,0,0|1,0,1]=4 6021 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000210711_100000695029 [1,1,0,0,0,0|1,0,1]=4 6022 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000215630_100000210320 [1,1,0,0,0,0|1,0,1]=4 6023 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000210711_100011215417 [1,1,0,0,0,0|1,0,1]=4 6024 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000215630_100000210320 [1,1,0,0,0,0|1,0,1]=4 6025 B15R0.70 C#CCCNCCCCCCCCCCC 2230a_200011215754_100000688953 [1,1,0,0,0,0|1,0,1]=4 6026 B15R0.70 C#CCCNCCCCCCCCCCC 34a_100000755551_100011215454 [1,1,0,0,0,0|1,0,1]=4 6027 B15R0.70 C#CCCNCCCCCCCCCCC 34a_200011215754_100000688953 [1,1,0,0,0,0|1,0,1]=4 6028 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100000210809_100000688953 [1,1,0,0,0,0|1,0,1]=4 6029 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100011215631_100011215454 [1,1,0,0,0,0|1,0,1]=4 6030 B15R0.70 C#CCCOCCCCCCCCCCC 7a_100000210809_100000688953 [1,1,0,0,0,0|1,0,1]=4 6031 B15R0.70 C#CCNCCCCCCCCCCCC 2230a_100000210451_100000038162 [1,1,0,0,0,0|1,0,1]=4 6032 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000210451_100000184674 [1,1,0,0,0,0|1,0,1]=4 6033 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000212058_100000759014 [1,1,0,0,0,0|1,0,1]=4 6034 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210247_100000759014 [1,1,0,0,0,0|1,0,1]=4 6035 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210810_100000184674 [1,1,0,0,0,0|1,0,1]=4 6036 B15R0.70 C#CCOCCCCCCCCCCCC 7a_100000210810_100000038162 [1,1,0,0,0,0|1,0,1]=4 6037 B15R0.70 C/C=C/CNCCCCCCCCCCC 34a_200011215754_100102629194 [1,1,0,0,0,0|1,0,1]=4 6038 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [1,1,0,0,0,0|1,0,0]=3 6039 B15R0.70 C=CCCCCCCCCCCNCCF 34a_100000724931_100011093070 [1,1,0,0,0,0|2,0,0]=4 6040 B15R0.70 C=CCCCCCCCCCCNCCO 2230a_100016997473_100011093070 [1,1,0,0,0,0|2,0,0]=4 6041 B15R0.70 C=CCCCCCCCCCCNCCO 34a_100016990907_100011093070 [1,1,0,0,0,0|2,0,0]=4 6042 B15R0.70 C=CCCCCCCCCCCOCCN 34a_100000210304_100011093070 [1,1,0,0,0,0|2,0,0]=4 6043 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_100011093070_200015260668 [1,1,0,0,0,0|0,0,2]=4 6044 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_200015260668_100011093070 [1,1,0,0,0,0|0,0,2]=4 6045 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100000211926_100011093070 [1,1,0,0,0,0|2,0,0]=4 6046 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100011093070_100000211926 [1,1,0,0,0,0|2,0,0]=4 6047 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000081888_100000210211 [1,1,0,0,0,0|1,0,0]=3 6048 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000102301_100009814027 [1,1,0,0,0,0|1,0,0]=3 6049 B15R0.70 C=CCCCCCCCCCNCCCC 34a_100000081888_100000210210 [1,1,0,0,0,0|1,0,0]=3 6050 B15R0.70 C=CCCCCCCCCCNCCCC 7a_106832991798_100009814027 [1,1,0,0,0,0|1,0,0]=3 6051 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100000081888_100011934791 [1,1,0,0,0,0|2,0,0]=4 6052 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100015189416_100009814027 [1,1,0,0,0,0|2,0,0]=4 6053 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100000081888_100011934791 [1,1,0,0,0,0|2,0,0]=4 6054 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100015189416_100009814027 [1,1,0,0,0,0|2,0,0]=4 6055 B15R0.70 C=CCCCCCCCCCNCCCO 2230a_100000081888_100000230001 [1,1,0,0,0,0|2,0,0]=4 6056 B15R0.70 C=CCCCCCCCCCNCCCO 34a_100000081888_100000230001 [1,1,0,0,0,0|2,0,0]=4 6057 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000081888_100011201679 [1,1,0,0,0,0|2,0,0]=4 6058 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000209980_100009814027 [1,1,0,0,0,0|2,0,0]=4 6059 B15R0.70 C=CCCCCCCCCCNCCOC 34a_100000081888_100011201679 [1,1,0,0,0,0|2,0,0]=4 6060 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100000081888_100000751147 [1,1,0,0,0,0|2,0,0]=4 6061 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100020590264_100009814027 [1,1,0,0,0,0|2,0,0]=4 6062 B15R0.70 C=CCCCCCCCCCNCCSC 34a_100000081888_100000212216 [1,1,0,0,0,0|2,0,0]=4 6063 B15R0.70 C=CCCCCCCCCCOCCCCl 34a_100000230001_100009814027 [1,1,0,0,0,0|2,0,0]=4 6064 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000038209_100011934791 [1,1,0,0,0,0|2,0,0]=4 6065 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000759539_100009814027 [1,1,0,0,0,0|2,0,0]=4 6066 B15R0.70 C=CCCCCCCCCCOCCCF 7a_100000038209_100011934791 [1,1,0,0,0,0|2,0,0]=4 6067 B15R0.70 C=CCCCCCCCCCOCCCN 34a_100000182051_100009814027 [1,1,0,0,0,0|2,0,0]=4 6068 B15R0.70 C=CCCCCCCCCCOCCCO 34a_100000038209_100000230001 [1,1,0,0,0,0|2,0,0]=4 6069 B15R0.70 C=CCCCCCCCCCOCCCO 7a_100000038209_100011215043 [1,1,0,0,0,0|2,0,0]=4 6070 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000038209_100011201679 [1,1,0,0,0,0|2,0,0]=4 6071 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000210237_100009814027 [1,1,0,0,0,0|2,0,0]=4 6072 B15R0.70 C=CCCCCCCCCCOCCOC 7a_100000038209_100000233755 [1,1,0,0,0,0|2,0,0]=4 6073 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000038209_100000212216 [1,1,0,0,0,0|2,0,0]=4 6074 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000230434_100009814027 [1,1,0,0,0,0|2,0,0]=4 6075 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000038209_100000212216 [1,1,0,0,0,0|2,0,0]=4 6076 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000230434_100009814027 [1,1,0,0,0,0|2,0,0]=4 6077 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100009814027_100011215043 [1,1,0,0,0,0|2,0,0]=4 6078 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100011215043_100009814027 [1,1,0,0,0,0|2,0,0]=4 6079 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100000233755_100009814027 [1,1,0,0,0,0|2,0,0]=4 6080 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100009814027_100000233755 [1,1,0,0,0,0|2,0,0]=4 6081 B15R0.70 C=CCCCCCCCCNCCCCC 2230a_100000209983_100011933949 [1,1,0,0,0,0|1,0,0]=3 6082 B15R0.70 C=CCCCCCCCCNCCCCO 2230a_100000750430_100011933949 [1,1,0,0,0,0|2,0,0]=4 6083 B15R0.70 C=CCCCCCCCCNCCCCO 34a_100000750430_100011933949 [1,1,0,0,0,0|2,0,0]=4 6084 B15R0.70 C=CCCCCCCCCNCCCOC 34a_100150723488_100011933949 [1,1,0,0,0,0|2,0,0]=4 6085 B15R0.70 C=CCCCCCCCCNCCCSC 2230a_100000749238_100011933949 [1,1,0,0,0,0|2,0,0]=4 6086 B15R0.70 C=CCCCCCCCCNCCOCC 2230a_102516460346_100011933949 [1,1,0,0,0,0|2,0,0]=4 6087 B15R0.70 C=CCCCCCCCCNCCOCC 34a_102516460346_100011933949 [1,1,0,0,0,0|2,0,0]=4 6088 B15R0.70 C=CCCCCCCCCNCCSCC 2230a_100000106463_100011933949 [1,1,0,0,0,0|2,0,0]=4 6089 B15R0.70 C=CCCCCCCCCOCCCC=O 7a_100011215194_200011292268 [1,1,0,0,0,0|0,0,2]=4 6090 B15R0.70 C=CCCCCCCCCOCCCCCl 34a_100000210776_100011933949 [1,1,0,0,0,0|2,0,0]=4 6091 B15R0.70 C=CCCCCCCCCOCCCCCl 7a_100000210776_100011933949 [1,1,0,0,0,0|2,0,0]=4 6092 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011215194_100000729493 [1,1,0,0,0,0|2,0,0]=4 6093 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011995726_100011933949 [1,1,0,0,0,0|2,0,0]=4 6094 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011215194_100000729493 [1,1,0,0,0,0|2,0,0]=4 6095 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011995726_100011933949 [1,1,0,0,0,0|2,0,0]=4 6096 B15R0.70 C=CCCCCCCCCOCCCCN 34a_100000750430_100011933949 [1,1,0,0,0,0|2,0,0]=4 6097 B15R0.70 C=CCCCCCCCCOCCCCO 34a_100011215194_100011216708 [1,1,0,0,0,0|2,0,0]=4 6098 B15R0.70 C=CCCCCCCCCOCCCCO 7a_100011215194_100000210776 [1,1,0,0,0,0|2,0,0]=4 6099 B15R0.70 C=CCCCCCCCCOCCCNC 34a_100000213112_100011933949 [1,1,0,0,0,0|2,0,0]=4 6100 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100000740835_100011933949 [1,1,0,0,0,0|2,0,0]=4 6101 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100011215194_100000740836 [1,1,0,0,0,0|2,0,0]=4 6102 B15R0.70 C=CCCCCCCCCOCCCOC 7a_100011215194_100000740836 [1,1,0,0,0,0|2,0,0]=4 6103 B15R0.70 C=CCCCCCCCCOCCCSC 34a_100000690336_100011933949 [1,1,0,0,0,0|2,0,0]=4 6104 B15R0.70 C=CCCCCCCCCOCCCSC 7a_100000690336_100011933949 [1,1,0,0,0,0|2,0,0]=4 6105 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100000210136_100011933949 [1,1,0,0,0,0|2,0,0]=4 6106 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100011215194_100000210147 [1,1,0,0,0,0|2,0,0]=4 6107 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100000210136_100011933949 [1,1,0,0,0,0|2,0,0]=4 6108 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100011215194_100011215890 [1,1,0,0,0,0|2,0,0]=4 6109 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100000212035_100011933949 [1,1,0,0,0,0|2,0,0]=4 6110 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100011215194_100000757381 [1,1,0,0,0,0|2,0,0]=4 6111 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100000212035_100011933949 [1,1,0,0,0,0|2,0,0]=4 6112 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100011215194_100000757381 [1,1,0,0,0,0|2,0,0]=4 6113 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_100011933949_200011292268 [1,1,0,0,0,0|0,0,2]=4 6114 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_200011292268_100011933949 [1,1,0,0,0,0|0,0,2]=4 6115 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100000210776_100011933949 [1,1,0,0,0,0|2,0,0]=4 6116 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100011933949_100000210776 [1,1,0,0,0,0|2,0,0]=4 6117 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100000709357_100011933949 [1,1,0,0,0,0|2,0,0]=4 6118 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100011933949_100000709357 [1,1,0,0,0,0|2,0,0]=4 6119 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100000210147_100011933949 [1,1,0,0,0,0|2,0,0]=4 6120 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100011933949_100011215890 [1,1,0,0,0,0|2,0,0]=4 6121 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [1,1,0,0,0,0|1,0,0]=3 6122 B15R0.70 C=CCCCCCCCNCCCCCO 2230a_100000762737_100012355270 [1,1,0,0,0,0|2,0,0]=4 6123 B15R0.70 C=CCCCCCCCNCCCCCO 34a_100000762737_100012355270 [1,1,0,0,0,0|2,0,0]=4 6124 B15R0.70 C=CCCCCCCCNCCCOCC 2230a_100000210961_100012355270 [1,1,0,0,0,0|2,0,0]=4 6125 B15R0.70 C=CCCCCCCCNCCCOCC 34a_100000210961_100012355270 [1,1,0,0,0,0|2,0,0]=4 6126 B15R0.70 C=CCCCCCCCNCCOCCC 2230a_100161115042_100012355270 [1,1,0,0,0,0|2,0,0]=4 6127 B15R0.70 C=CCCCCCCCNCCOCCC 34a_100161115042_100012355270 [1,1,0,0,0,0|2,0,0]=4 6128 B15R0.70 C=CCCCCCCCNCCSCCC 2230a_100020603323_100012355270 [1,1,0,0,0,0|2,0,0]=4 6129 B15R0.70 C=CCCCCCCCOCCCCC=O 7a_100000730831_100000139335 [1,1,0,0,0,0|0,0,2]=4 6130 B15R0.70 C=CCCCCCCCOCCCCCCl 34a_100000746330_100012355270 [1,1,0,0,0,0|2,0,0]=4 6131 B15R0.70 C=CCCCCCCCOCCCCCCl 7a_100000746330_100012355270 [1,1,0,0,0,0|2,0,0]=4 6132 B15R0.70 C=CCCCCCCCOCCCCCF 34a_100000730831_100000729378 [1,1,0,0,0,0|2,0,0]=4 6133 B15R0.70 C=CCCCCCCCOCCCCCF 7a_100000730831_100000729378 [1,1,0,0,0,0|2,0,0]=4 6134 B15R0.70 C=CCCCCCCCOCCCCCN 34a_100000762737_100012355270 [1,1,0,0,0,0|2,0,0]=4 6135 B15R0.70 C=CCCCCCCCOCCCCCO 34a_100000730831_100000746330 [1,1,0,0,0,0|2,0,0]=4 6136 B15R0.70 C=CCCCCCCCOCCCCCO 7a_100000730831_100000746330 [1,1,0,0,0,0|2,0,0]=4 6137 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000730831_100000755781 [1,1,0,0,0,0|2,0,0]=4 6138 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000740925_100012355270 [1,1,0,0,0,0|2,0,0]=4 6139 B15R0.70 C=CCCCCCCCOCCCCOC 7a_100000730831_100000730899 [1,1,0,0,0,0|2,0,0]=4 6140 B15R0.70 C=CCCCCCCCOCCCCSC 34a_100011217163_100012355270 [1,1,0,0,0,0|2,0,0]=4 6141 B15R0.70 C=CCCCCCCCOCCCCSC 7a_100011217163_100012355270 [1,1,0,0,0,0|2,0,0]=4 6142 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000730831_100012232248 [1,1,0,0,0,0|2,0,0]=4 6143 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000757476_100012355270 [1,1,0,0,0,0|2,0,0]=4 6144 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000730831_100012232248 [1,1,0,0,0,0|2,0,0]=4 6145 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000757476_100012355270 [1,1,0,0,0,0|2,0,0]=4 6146 B15R0.70 C=CCCCCCCCOCCCSCC 34a_100011216438_100012355270 [1,1,0,0,0,0|2,0,0]=4 6147 B15R0.70 C=CCCCCCCCOCCCSCC 7a_100011216438_100012355270 [1,1,0,0,0,0|2,0,0]=4 6148 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000730831_100011215938 [1,1,0,0,0,0|2,0,0]=4 6149 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000752267_100012355270 [1,1,0,0,0,0|2,0,0]=4 6150 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000730831_100011215938 [1,1,0,0,0,0|2,0,0]=4 6151 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000752267_100012355270 [1,1,0,0,0,0|2,0,0]=4 6152 B15R0.70 C=CCCCCCCCOCCSCCC 34a_200000230433_100012355270 [1,1,0,0,0,0|2,0,0]=4 6153 B15R0.70 C=CCCCCCCCOCCSCCC 7a_200000230433_100012355270 [1,1,0,0,0,0|2,0,0]=4 6154 B15R0.70 C=CCCCCCCCOCOCCCC 34a_100000730831_100011995733 [1,1,0,0,0,0|2,0,0]=4 6155 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100000139335_100012355270 [1,1,0,0,0,0|0,0,2]=4 6156 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100012355270_100000139335 [1,1,0,0,0,0|0,0,2]=4 6157 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100000746330_100012355270 [1,1,0,0,0,0|2,0,0]=4 6158 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100012355270_100000746330 [1,1,0,0,0,0|2,0,0]=4 6159 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100000730899_100012355270 [1,1,0,0,0,0|2,0,0]=4 6160 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100012355270_100000730899 [1,1,0,0,0,0|2,0,0]=4 6161 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012232248_100012355270 [1,1,0,0,0,0|2,0,0]=4 6162 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012355270_100012232248 [1,1,0,0,0,0|2,0,0]=4 6163 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100011215938_100012355270 [1,1,0,0,0,0|2,0,0]=4 6164 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100012355270_100011215938 [1,1,0,0,0,0|2,0,0]=4 6165 B15R0.70 C=CCCCCCCNCCCCCCC 2230a_100000229938_100011215473 [1,1,0,0,0,0|1,0,0]=3 6166 B15R0.70 C=CCCCCCCNCCCCCCO 2230a_100000686447_100011215473 [1,1,0,0,0,0|2,0,0]=4 6167 B15R0.70 C=CCCCCCCNCCCCCCO 34a_100000686447_100011215473 [1,1,0,0,0,0|2,0,0]=4 6168 B15R0.70 C=CCCCCCCNCCCCCOC 2230a_100000747528_100011215473 [1,1,0,0,0,0|2,0,0]=4 6169 B15R0.70 C=CCCCCCCNCCCCCOC 34a_100000747528_100011215473 [1,1,0,0,0,0|2,0,0]=4 6170 B15R0.70 C=CCCCCCCNCCCOCCC 2230a_100011217757_100011215473 [1,1,0,0,0,0|2,0,0]=4 6171 B15R0.70 C=CCCCCCCNCCCOCCC 34a_100011217757_100011215473 [1,1,0,0,0,0|2,0,0]=4 6172 B15R0.70 C=CCCCCCCNCCSCCCC 2230a_100025743550_100011215473 [1,1,0,0,0,0|2,0,0]=4 6173 B15R0.70 C=CCCCCCCOCCCCCC=O 7a_200011216477_100000139337 [1,1,0,0,0,0|0,0,2]=4 6174 B15R0.70 C=CCCCCCCOCCCCCCCl 34a_100000766143_100011215473 [1,1,0,0,0,0|2,0,0]=4 6175 B15R0.70 C=CCCCCCCOCCCCCCCl 7a_100000766143_100011215473 [1,1,0,0,0,0|2,0,0]=4 6176 B15R0.70 C=CCCCCCCOCCCCCCF 34a_100000732779_100011215473 [1,1,0,0,0,0|2,0,0]=4 6177 B15R0.70 C=CCCCCCCOCCCCCCF 34a_200011216477_100015922095 [1,1,0,0,0,0|2,0,0]=4 6178 B15R0.70 C=CCCCCCCOCCCCCCF 7a_100000732779_100011215473 [1,1,0,0,0,0|2,0,0]=4 6179 B15R0.70 C=CCCCCCCOCCCCCCF 7a_200011216477_100015922095 [1,1,0,0,0,0|2,0,0]=4 6180 B15R0.70 C=CCCCCCCOCCCCCCN 34a_100000686447_100011215473 [1,1,0,0,0,0|2,0,0]=4 6181 B15R0.70 C=CCCCCCCOCCCCCCO 34a_200011216477_100000766143 [1,1,0,0,0,0|2,0,0]=4 6182 B15R0.70 C=CCCCCCCOCCCCCCO 7a_200011216477_100000766143 [1,1,0,0,0,0|2,0,0]=4 6183 B15R0.70 C=CCCCCCCOCCCCCNC 34a_100000722520_100011215473 [1,1,0,0,0,0|2,0,0]=4 6184 B15R0.70 C=CCCCCCCOCCOCCCC 34a_100000210238_100011215473 [1,1,0,0,0,0|2,0,0]=4 6185 B15R0.70 C=CCCCCCCOCCOCCCC 34a_200011216477_100000743108 [1,1,0,0,0,0|2,0,0]=4 6186 B15R0.70 C=CCCCCCCOCCOCCCC 7a_100000210238_100011215473 [1,1,0,0,0,0|2,0,0]=4 6187 B15R0.70 C=CCCCCCCOCCOCCCC 7a_200011216477_100000743108 [1,1,0,0,0,0|2,0,0]=4 6188 B15R0.70 C=CCCCCCCOCCSCCCC 34a_200000230436_100011215473 [1,1,0,0,0,0|2,0,0]=4 6189 B15R0.70 C=CCCCCCCOCCSCCCC 7a_200000230436_100011215473 [1,1,0,0,0,0|2,0,0]=4 6190 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100000139337_100011215473 [1,1,0,0,0,0|0,0,2]=4 6191 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100011215473_100000139337 [1,1,0,0,0,0|0,0,2]=4 6192 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100000766143_100011215473 [1,1,0,0,0,0|2,0,0]=4 6193 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100011215473_100000766143 [1,1,0,0,0,0|2,0,0]=4 6194 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100000743108_100011215473 [1,1,0,0,0,0|2,0,0]=4 6195 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100011215473_100000743108 [1,1,0,0,0,0|2,0,0]=4 6196 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [1,1,0,0,0,0|1,0,0]=3 6197 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [1,1,0,0,0,0|1,0,0]=3 6198 B15R0.70 C=CCCCCCNCCCCCCCO 2230a_100011996573_100000700193 [1,1,0,0,0,0|2,0,0]=4 6199 B15R0.70 C=CCCCCCNCCCCCCCO 34a_100011996573_100000700193 [1,1,0,0,0,0|2,0,0]=4 6200 B15R0.70 C=CCCCCCNCCCOCCCC 2230a_200000211371_100000700193 [1,1,0,0,0,0|2,0,0]=4 6201 B15R0.70 C=CCCCCCNCCCOCCCC 34a_200000211371_100000700193 [1,1,0,0,0,0|2,0,0]=4 6202 B15R0.70 C=CCCCCCOCCCCCCCN 34a_100011996573_100000700193 [1,1,0,0,0,0|2,0,0]=4 6203 B15R0.70 C=CCCCCCOCCCCCCCO 34a_100011216702_100000760002 [1,1,0,0,0,0|2,0,0]=4 6204 B15R0.70 C=CCCCCCOCCCCCCCO 7a_100011216702_100000760002 [1,1,0,0,0,0|2,0,0]=4 6205 B15R0.70 C=CCCCCCOCCCCCCOC 34a_100011216702_100011998445 [1,1,0,0,0,0|2,0,0]=4 6206 B15R0.70 C=CCCCCCOCCCCCCOC 34a_200012092642_100000700193 [1,1,0,0,0,0|2,0,0]=4 6207 B15R0.70 C=CCCCCCOCCCCCCOC 7a_100011216702_100011998445 [1,1,0,0,0,0|2,0,0]=4 6208 B15R0.70 C=CCCCCCOCCCCCCOC 7a_200012092642_100000700193 [1,1,0,0,0,0|2,0,0]=4 6209 B15R0.70 C=CCCCCCOCCCOCCCC 34a_200011215613_100000700193 [1,1,0,0,0,0|2,0,0]=4 6210 B15R0.70 C=CCCCCCOCCCOCCCC 7a_200011215613_100000700193 [1,1,0,0,0,0|2,0,0]=4 6211 B15R0.70 C=CCCCCCOCCNCCCCC 34a_100000224656_100000700193 [1,1,0,0,0,0|2,0,0]=4 6212 B15R0.70 C=CCCCCCOCCOCCCCC 34a_100011215259_100000700193 [1,1,0,0,0,0|2,0,0]=4 6213 B15R0.70 C=CCCCCCOCCOCCCCC 7a_100011215259_100000700193 [1,1,0,0,0,0|2,0,0]=4 6214 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000700193_100000760002 [1,1,0,0,0,0|2,0,0]=4 6215 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000760002_100000700193 [1,1,0,0,0,0|2,0,0]=4 6216 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100000700193_100011998445 [1,1,0,0,0,0|2,0,0]=4 6217 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100011998445_100000700193 [1,1,0,0,0,0|2,0,0]=4 6218 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000212291_100011215482 [1,1,0,0,0,0|1,0,0]=3 6219 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000703577_100011214924 [1,1,0,0,0,0|1,0,0]=3 6220 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000212291_100011215482 [1,1,0,0,0,0|1,0,0]=3 6221 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000703577_100011214924 [1,1,0,0,0,0|1,0,0]=3 6222 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_100000703577_100000033203 [1,1,0,0,0,0|2,0,0]=4 6223 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_102515433106_100011215482 [1,1,0,0,0,0|2,0,0]=4 6224 B15R0.70 C=CCCCCNCCCCCCCCO 34a_100000703577_100000033203 [1,1,0,0,0,0|2,0,0]=4 6225 B15R0.70 C=CCCCCNCCCCCCCCO 34a_102515433106_100011215482 [1,1,0,0,0,0|2,0,0]=4 6226 B15R0.70 C=CCCCCOCCCCCCCCCl 34a_100000033203_100011215482 [1,1,0,0,0,0|2,0,0]=4 6227 B15R0.70 C=CCCCCOCCCCCCCCCl 7a_100000033203_100011215482 [1,1,0,0,0,0|2,0,0]=4 6228 B15R0.70 C=CCCCCOCCCCCCCCN 34a_102515433106_100011215482 [1,1,0,0,0,0|2,0,0]=4 6229 B15R0.70 C=CCCCCOCCCCCCCCO 34a_100000766645_100000033203 [1,1,0,0,0,0|2,0,0]=4 6230 B15R0.70 C=CCCCCOCCCCCCCCO 7a_100000766645_100000033203 [1,1,0,0,0,0|2,0,0]=4 6231 B15R0.70 C=CCCCCOCCCCNCCCC 34a_200011216965_100011215482 [1,1,0,0,0,0|2,0,0]=4 6232 B15R0.70 C=CCCCCOCCCCOCCCC 34a_200000760531_100011215482 [1,1,0,0,0,0|2,0,0]=4 6233 B15R0.70 C=CCCCCOCCCCOCCCC 7a_200000760531_100011215482 [1,1,0,0,0,0|2,0,0]=4 6234 B15R0.70 C=CCCCCOCCOCCCCCC 34a_100000691444_100011215482 [1,1,0,0,0,0|2,0,0]=4 6235 B15R0.70 C=CCCCCOCCOCCCCCC 7a_100000691444_100011215482 [1,1,0,0,0,0|2,0,0]=4 6236 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100000033203_100011215482 [1,1,0,0,0,0|2,0,0]=4 6237 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100011215482_100000033203 [1,1,0,0,0,0|2,0,0]=4 6238 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000684558_100011713584 [1,1,0,0,0,0|1,0,0]=3 6239 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000700776_100000210320 [1,1,0,0,0,0|1,0,0]=3 6240 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000684558_100000757094 [1,1,0,0,0,0|1,0,0]=3 6241 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000700776_100000210320 [1,1,0,0,0,0|1,0,0]=3 6242 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000078944_100011713584 [1,1,0,0,0,0|2,0,0]=4 6243 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000700776_100009813782 [1,1,0,0,0,0|2,0,0]=4 6244 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000078944_100000757094 [1,1,0,0,0,0|2,0,0]=4 6245 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000700776_100009813782 [1,1,0,0,0,0|2,0,0]=4 6246 B15R0.70 C=CCCCOCCCCCCCCCCl 34a_100009868337_100000757094 [1,1,0,0,0,0|2,0,0]=4 6247 B15R0.70 C=CCCCOCCCCCCCCCCl 7a_100009868337_100000757094 [1,1,0,0,0,0|2,0,0]=4 6248 B15R0.70 C=CCCCOCCCCCCCCCN 34a_100000078944_100000757094 [1,1,0,0,0,0|2,0,0]=4 6249 B15R0.70 C=CCCCOCCCCCCCCCO 34a_100000758997_100009813782 [1,1,0,0,0,0|2,0,0]=4 6250 B15R0.70 C=CCCCOCCCCCCCCCO 7a_100000758997_100009813782 [1,1,0,0,0,0|2,0,0]=4 6251 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100009813782_100000757094 [1,1,0,0,0,0|2,0,0]=4 6252 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100011713584_100009813782 [1,1,0,0,0,0|2,0,0]=4 6253 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_100015191253_100011215454 [1,1,0,0,0,0|1,0,0]=3 6254 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_200011215754_100000754431 [1,1,0,0,0,0|1,0,0]=3 6255 B15R0.70 C=CCCNCCCCCCCCCCC 34a_200011215754_100000754431 [1,1,0,0,0,0|1,0,0]=3 6256 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100000066964_100000754431 [1,1,0,0,0,0|2,0,0]=4 6257 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100015191253_100009813290 [1,1,0,0,0,0|2,0,0]=4 6258 B15R0.70 C=CCCNCCCCCCCCCCO 34a_100000066964_100000754431 [1,1,0,0,0,0|2,0,0]=4 6259 B15R0.70 C=CCCOCCCCCCCCCCCl 34a_200000033068_100000754431 [1,1,0,0,0,0|2,0,0]=4 6260 B15R0.70 C=CCCOCCCCCCCCCCCl 7a_200000033068_100000754431 [1,1,0,0,0,0|2,0,0]=4 6261 B15R0.70 C=CCCOCCCCCCCCCCN 34a_100000066964_100000754431 [1,1,0,0,0,0|2,0,0]=4 6262 B15R0.70 C=CCCOCCCCCCCCCCO 34a_100011205117_100009813290 [1,1,0,0,0,0|2,0,0]=4 6263 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100000754431_200000033068 [1,1,0,0,0,0|2,0,0]=4 6264 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100009813290_100000754431 [1,1,0,0,0,0|2,0,0]=4 6265 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [1,1,0,0,0,0|1,0,0]=3 6266 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [1,1,0,0,0,0|1,0,0]=3 6267 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [1,1,0,0,0,0|1,0,0]=3 6268 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [1,1,0,0,0,0|1,0,0]=3 6269 B15R0.70 C=CCNCCCCCCCCCCCO 2230a_100020586998_100009812471 [1,1,0,0,0,0|2,0,0]=4 6270 B15R0.70 C=CCOCCCCCCCCCCCO 34a_200000210373_100009812471 [1,1,0,0,0,0|2,0,0]=4 6271 B15R0.70 C=CCOCCCCCCCCCOCC 34a_100009875440_100015514636 [1,1,0,0,0,0|2,0,0]=4 6272 B15R0.70 C=CCOCCCCCCCCCOCC 7a_100009875440_100015514636 [1,1,0,0,0,0|2,0,0]=4 6273 B15R0.70 C=CCOCCOCCCCCCCCC 34a_100000037705_100011214924 [1,1,0,0,0,0|2,0,0]=4 6274 B15R0.70 C=CCOCCOCCCCCCCCC 7a_100000037705_100000210328 [1,1,0,0,0,0|2,0,0]=4 6275 B15R0.70 C=CCSCCCCCCCCCCCO 62a_100009812471_100000210623 [1,1,0,0,0,0|2,0,0]=4 6276 B15R0.70 C=COCCCCOCCCCCCCC 34a_100000031558_100000210759 [1,1,0,0,0,0|2,0,0]=4 6277 B15R0.70 C=COCCCCOCCCCCCCC 7a_100000031558_100000210759 [1,1,0,0,0,0|2,0,0]=4 6278 B15R0.70 C=COCCCNCCCCCCCCC 2230a_100000210767_100011214924 [1,1,0,0,0,0|2,0,0]=4 6279 B15R0.70 C=COCCCNCCCCCCCCC 34a_100000210767_100011214924 [1,1,0,0,0,0|2,0,0]=4 6280 B15R0.70 C=COCCNCCCCCCCCCC 2230a_100000684558_100000039644 [1,1,0,0,0,0|2,0,0]=4 6281 B15R0.70 C=COCCNCCCCCCCCCC 34a_100000684558_100000039644 [1,1,0,0,0,0|2,0,0]=4 6282 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000033082_100000210320 [1,1,0,0,0,0|2,0,0]=4 6283 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000210711_100000039644 [1,1,0,0,0,0|2,0,0]=4 6284 B15R0.70 C=COCCOCCCCCCCCCC 7a_100000210711_100000039644 [1,1,0,0,0,0|2,0,0]=4 6285 B15R0.70 CC/C=C\CCCCCOCCCCC=O 7a_100016268722_100000139335 [1,1,0,0,0,0|0,0,2]=4 6286 B15R0.70 CC/C=C\CCCCOCCCCCC=O 7a_100016287862_100000139337 [1,1,0,0,0,0|0,0,2]=4 6287 B15R0.70 CC=CCNCCCCCCCCCCC 2230a_200011215754_100000070051 [1,1,0,0,0,0|1,0,1]=4 6288 B15R0.70 CC=CCNCCCCCCCCCCC 34a_200011215754_100000070051 [1,1,0,0,0,0|1,0,1]=4 6289 B15R0.70 CCC#CCCCCCCCCOCC=O 34a_200000031908_200009817547 [1,1,0,0,0,0|0,0,2]=4 6290 B15R0.70 CCC#CCCCCCCCCOCC=O 7a_200000031908_200015260668 [1,1,0,0,0,0|0,0,2]=4 6291 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200000036426_200011292268 [1,1,0,0,0,0|0,0,2]=4 6292 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200011292268_200000036426 [1,1,0,0,0,0|0,0,2]=4 6293 B15R0.70 CCCC/C=C/CCCCOCCCC=O 7a_200020645093_200011292268 [1,1,0,0,0,0|0,0,2]=4 6294 B15R0.70 CCCC/C=C\CCOCCCCCC=O 7a_200016286491_100000139337 [1,1,0,0,0,0|0,0,2]=4 6295 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200000043322_200015260668 [1,1,0,0,0,0|0,0,2]=4 6296 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200015260668_200000043322 [1,1,0,0,0,0|0,0,2]=4 6297 B15R0.70 CCCCC#CCCCCOCCCC=O 7a_200000066234_200011292268 [1,1,0,0,0,0|0,0,2]=4 6298 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_100000139335_200000047210 [1,1,0,0,0,0|0,0,2]=4 6299 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_200000047210_100000139335 [1,1,0,0,0,0|0,0,2]=4 6300 B15R0.70 CCCCC#CCCOCCCCCC=O 7a_100000037610_100000139337 [1,1,0,0,0,0|0,0,2]=4 6301 B15R0.70 CCCCC/C=C/COCCCCCC=O 7a_100016258190_100000139337 [1,1,0,0,0,0|0,0,2]=4 6302 B15R0.70 CCCCC/C=C\CCCOCCCC=O 7a_100020655193_200011292268 [1,1,0,0,0,0|0,0,2]=4 6303 B15R0.70 CCCCC/C=C\CCOCCCCC=O 7a_100016277358_100000139335 [1,1,0,0,0,0|0,0,2]=4 6304 B15R0.70 CCCCCC#CCCOCCCCC=O 7a_200000042877_100000139335 [1,1,0,0,0,0|0,0,2]=4 6305 B15R0.70 CCCCCC#CCOCCCCCC=O 7a_200000033628_100000139337 [1,1,0,0,0,0|0,0,2]=4 6306 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100000139337_100009816472 [1,1,0,0,0,0|0,0,2]=4 6307 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100009816472_100000139337 [1,1,0,0,0,0|0,0,2]=4 6308 B15R0.70 CCCCCC/C=C/COCCCCC=O 7a_200016276170_100000139335 [1,1,0,0,0,0|0,0,2]=4 6309 B15R0.70 CCCCCCC#CCCOCCCC=O 7a_200000033163_200011292268 [1,1,0,0,0,0|0,0,2]=4 6310 B15R0.70 CCCCCCC#CCOCCCCC=O 7a_200000037284_100000139335 [1,1,0,0,0,0|0,0,2]=4 6311 B15R0.70 CCCCCCCC#CCOCCCC=O 7a_200000061759_200011292268 [1,1,0,0,0,0|0,0,2]=4 6312 B15R0.70 CCCCCCCCC/C=C/COCC=O 34a_100015232335_200009817547 [1,1,0,0,0,0|0,0,2]=4 6313 B15R0.70 CCCCCCCCC/C=C/COCC=O 7a_100015232335_200015260668 [1,1,0,0,0,0|0,0,2]=4 6314 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [1,1,0,0,0,0|1,0,1]=4 6315 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [1,1,0,0,0,0|1,0,1]=4 6316 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [1,1,0,0,0,0|1,0,1]=4 6317 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [1,1,0,0,0,0|1,0,1]=4 6318 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [1,1,0,0,0,0|1,0,1]=4 6319 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [1,1,0,0,0,0|1,0,1]=4 6320 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [1,1,0,0,0,0|1,0,1]=4 6321 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [1,1,0,0,0,0|1,0,1]=4 6322 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [1,1,0,0,0,0|1,0,1]=4 6323 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [1,1,0,0,0,0|1,0,1]=4 6324 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [1,1,0,0,0,0|1,0,1]=4 6325 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [1,1,0,0,0,0|1,0,1]=4 6326 B15R0.70 CCCCCCCCCCCCCNCF 34a_100011215765_100015361967 [1,1,0,0,0,0|1,0,1]=4 6327 B15R0.70 CCCCCCCCCCCCNCC#N 2230a_100000210451_100011215382 [1,1,0,0,0,0|1,0,1]=4 6328 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,1,0,0,0,0|0,0,0]=2 6329 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,1,0,0,0,0|0,0,0]=2 6330 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [1,1,0,0,0,0|1,0,1]=4 6331 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [1,1,0,0,0,0|1,0,1]=4 6332 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [1,1,0,0,0,0|1,0,1]=4 6333 B15R0.70 CCCCCCCCCCCCNCCF 2230a_100000210451_100011217306 [1,1,0,0,0,0|1,0,1]=4 6334 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000210451_100011217306 [1,1,0,0,0,0|1,0,1]=4 6335 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000724931_100000759014 [1,1,0,0,0,0|1,0,1]=4 6336 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [1,1,0,0,0,0|0,0,1]=3 6337 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [1,1,0,0,0,0|0,0,1]=3 6338 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [1,1,0,0,0,0|0,0,1]=3 6339 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [1,1,0,0,0,0|0,0,1]=3 6340 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [1,1,0,0,0,0|0,0,1]=3 6341 B15R0.70 CCCCCCCCCCCCNCOC 2230a_100000210451_100000766300 [1,1,0,0,0,0|1,0,1]=4 6342 B15R0.70 CCCCCCCCCCCCNCSC 2230a_100000210451_100011218213 [1,1,0,0,0,0|2,0,0]=4 6343 B15R0.70 CCCCCCCCCCCCNCSC 34a_100000210451_100011218213 [1,1,0,0,0,0|2,0,0]=4 6344 B15R0.70 CCCCCCCCCCCCOCC#N 7a_100000210810_100011215382 [1,1,0,0,0,0|1,0,1]=4 6345 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [1,1,0,0,0,0|0,0,0]=2 6346 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [1,1,0,0,0,0|0,0,0]=2 6347 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [1,1,0,0,0,0|1,0,1]=4 6348 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [1,1,0,0,0,0|1,0,1]=4 6349 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [1,1,0,0,0,0|1,0,1]=4 6350 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [1,1,0,0,0,0|0,0,1]=3 6351 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [1,1,0,0,0,0|0,0,1]=3 6352 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [1,1,0,0,0,0|0,0,0]=2 6353 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [1,1,0,0,0,0|0,0,1]=3 6354 B15R0.70 CCCCCCCCCCCNCCC#N 2230a_200011215754_100011215226 [1,1,0,0,0,0|1,0,1]=4 6355 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [1,1,0,0,0,0|1,0,1]=4 6356 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [1,1,0,0,0,0|1,0,1]=4 6357 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [1,1,0,0,0,0|1,0,1]=4 6358 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [1,1,0,0,0,0|1,0,1]=4 6359 B15R0.70 CCCCCCCCCCCNCCCF 2230a_100015189416_100011215454 [1,1,0,0,0,0|1,0,1]=4 6360 B15R0.70 CCCCCCCCCCCNCCCF 2230a_200011215754_100011934791 [1,1,0,0,0,0|1,0,1]=4 6361 B15R0.70 CCCCCCCCCCCNCCCF 34a_100015189416_100011215454 [1,1,0,0,0,0|1,0,1]=4 6362 B15R0.70 CCCCCCCCCCCNCCCF 34a_200011215754_100011934791 [1,1,0,0,0,0|1,0,1]=4 6363 B15R0.70 CCCCCCCCCCCNCCCO 2230a_200011215754_100000230001 [1,1,0,0,0,0|0,0,1]=3 6364 B15R0.70 CCCCCCCCCCCNCCCO 34a_200011215754_100000230001 [1,1,0,0,0,0|0,0,1]=3 6365 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [1,1,0,0,0,0|1,0,1]=4 6366 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [1,1,0,0,0,0|1,0,1]=4 6367 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [1,1,0,0,0,0|1,0,1]=4 6368 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [1,1,0,0,0,0|2,0,0]=4 6369 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [1,1,0,0,0,0|2,0,0]=4 6370 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [1,1,0,0,0,0|2,0,0]=4 6371 B15R0.70 CCCCCCCCCCCOCCC#N 7a_100000210809_100000184422 [1,1,0,0,0,0|1,0,1]=4 6372 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000210809_100011934791 [1,1,0,0,0,0|1,0,1]=4 6373 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000759539_100011215454 [1,1,0,0,0,0|1,0,1]=4 6374 B15R0.70 CCCCCCCCCCCOCCCF 7a_100000210809_100011934791 [1,1,0,0,0,0|1,0,1]=4 6375 B15R0.70 CCCCCCCCCCCOCCCN 34a_100000182051_100011215454 [1,1,0,0,0,0|1,0,1]=4 6376 B15R0.70 CCCCCCCCCCCOCCCO 34a_100000210809_100000230001 [1,1,0,0,0,0|0,0,1]=3 6377 B15R0.70 CCCCCCCCCCCOCCCO 7a_100000210809_100011215043 [1,1,0,0,0,0|0,0,1]=3 6378 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [1,1,0,0,0,0|1,0,1]=4 6379 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [1,1,0,0,0,0|1,0,1]=4 6380 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [1,1,0,0,0,0|1,0,1]=4 6381 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [1,1,0,0,0,0|1,0,1]=4 6382 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [1,1,0,0,0,0|1,0,1]=4 6383 B15R0.70 CCCCCCCCCCCOCCON 34a_100000700252_100011215454 [1,1,0,0,0,0|1,0,1]=4 6384 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [1,1,0,0,0,0|1,0,1]=4 6385 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [1,1,0,0,0,0|1,0,1]=4 6386 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [1,1,0,0,0,0|2,0,0]=4 6387 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [1,1,0,0,0,0|2,0,0]=4 6388 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [1,1,0,0,0,0|2,0,0]=4 6389 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [1,1,0,0,0,0|2,0,0]=4 6390 B15R0.70 CCCCCCCCCCCSCCCO 62a_100011215043_100011215454 [1,1,0,0,0,0|0,0,1]=3 6391 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [1,1,0,0,0,0|1,0,1]=4 6392 B15R0.70 CCCCCCCCCCNCCCC#N 2230a_100000684558_100000687738 [1,1,0,0,0,0|1,0,1]=4 6393 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [1,1,0,0,0,0|0,0,0]=2 6394 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [1,1,0,0,0,0|1,0,1]=4 6395 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [1,1,0,0,0,0|1,0,1]=4 6396 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [1,1,0,0,0,0|1,0,1]=4 6397 B15R0.70 CCCCCCCCCCNCCCCF 2230a_100000684558_100000729493 [1,1,0,0,0,0|1,0,1]=4 6398 B15R0.70 CCCCCCCCCCNCCCCF 34a_100000684558_100000729493 [1,1,0,0,0,0|1,0,1]=4 6399 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000684558_100000210776 [1,1,0,0,0,0|0,0,1]=3 6400 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000750430_100000210320 [1,1,0,0,0,0|0,0,1]=3 6401 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000684558_100011216708 [1,1,0,0,0,0|0,0,1]=3 6402 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000750430_100000210320 [1,1,0,0,0,0|0,0,1]=3 6403 B15R0.70 CCCCCCCCCCNCCCOC 2230a_100000684558_100000740836 [1,1,0,0,0,0|1,0,1]=4 6404 B15R0.70 CCCCCCCCCCNCCCOC 34a_100000684558_100000740836 [1,1,0,0,0,0|1,0,1]=4 6405 B15R0.70 CCCCCCCCCCNCCCOC 34a_100150723488_100000210320 [1,1,0,0,0,0|1,0,1]=4 6406 B15R0.70 CCCCCCCCCCNCCCSC 2230a_100000749238_100000210320 [1,1,0,0,0,0|2,0,0]=4 6407 B15R0.70 CCCCCCCCCCOCCCC#N 7a_100000210711_100000687738 [1,1,0,0,0,0|1,0,1]=4 6408 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [1,1,0,0,0,0|0,0,0]=2 6409 B15R0.70 CCCCCCCCCCOCCCCF 34a_100000210711_100000729493 [1,1,0,0,0,0|1,0,1]=4 6410 B15R0.70 CCCCCCCCCCOCCCCF 34a_100011995726_100000210320 [1,1,0,0,0,0|1,0,1]=4 6411 B15R0.70 CCCCCCCCCCOCCCCF 7a_100000210711_100000729493 [1,1,0,0,0,0|1,0,1]=4 6412 B15R0.70 CCCCCCCCCCOCCCCF 7a_100011995726_100000210320 [1,1,0,0,0,0|1,0,1]=4 6413 B15R0.70 CCCCCCCCCCOCCCCN 34a_100000750430_100000210320 [1,1,0,0,0,0|1,0,1]=4 6414 B15R0.70 CCCCCCCCCCOCCCCO 34a_100000210711_100011216708 [1,1,0,0,0,0|0,0,1]=3 6415 B15R0.70 CCCCCCCCCCOCCCCO 7a_100000210711_100000210776 [1,1,0,0,0,0|0,0,1]=3 6416 B15R0.70 CCCCCCCCCCOCCCNC 34a_100000213112_100000210320 [1,1,0,0,0,0|2,0,0]=4 6417 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000210711_100000740836 [1,1,0,0,0,0|1,0,1]=4 6418 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000740835_100000210320 [1,1,0,0,0,0|1,0,1]=4 6419 B15R0.70 CCCCCCCCCCOCCCOC 7a_100000210711_100000740836 [1,1,0,0,0,0|1,0,1]=4 6420 B15R0.70 CCCCCCCCCCOCCCSC 34a_100000690336_100000210320 [1,1,0,0,0,0|2,0,0]=4 6421 B15R0.70 CCCCCCCCCCOCCCSC 7a_100000690336_100000210320 [1,1,0,0,0,0|2,0,0]=4 6422 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [1,1,0,0,0,0|0,0,0]=2 6423 B15R0.70 CCCCCCCCCCSCCCCO 62a_100000210776_100000210320 [1,1,0,0,0,0|0,0,1]=3 6424 B15R0.70 CCCCCCCCCCSCCCOC 62a_100000709357_100000210320 [1,1,0,0,0,0|1,0,1]=4 6425 B15R0.70 CCCCCCCCCNCCCCC#N 2230a_100000212291_100000211819 [1,1,0,0,0,0|1,0,1]=4 6426 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [1,1,0,0,0,0|0,0,0]=2 6427 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [1,1,0,0,0,0|1,0,1]=4 6428 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [1,1,0,0,0,0|1,0,1]=4 6429 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [1,1,0,0,0,0|1,0,1]=4 6430 B15R0.70 CCCCCCCCCNCCCCCF 2230a_100000212291_100000729378 [1,1,0,0,0,0|1,0,1]=4 6431 B15R0.70 CCCCCCCCCNCCCCCF 34a_100000212291_100000729378 [1,1,0,0,0,0|1,0,1]=4 6432 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000212291_100000746330 [1,1,0,0,0,0|0,0,1]=3 6433 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000762737_100011214924 [1,1,0,0,0,0|0,0,1]=3 6434 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000212291_100000746330 [1,1,0,0,0,0|0,0,1]=3 6435 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000762737_100011214924 [1,1,0,0,0,0|0,0,1]=3 6436 B15R0.70 CCCCCCCCCNCCCCOC 2230a_100000212291_100000730899 [1,1,0,0,0,0|1,0,1]=4 6437 B15R0.70 CCCCCCCCCNCCCCOC 34a_100000212291_100000755781 [1,1,0,0,0,0|1,0,1]=4 6438 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000211614_100011214924 [1,1,0,0,0,0|1,0,1]=4 6439 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000212291_100011215305 [1,1,0,0,0,0|1,0,1]=4 6440 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000211614_100011214924 [1,1,0,0,0,0|1,0,1]=4 6441 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000212291_100000692535 [1,1,0,0,0,0|1,0,1]=4 6442 B15R0.70 CCCCCCCCCNCCSCCO 2230a_100011219999_100011214924 [1,1,0,0,0,0|1,0,1]=4 6443 B15R0.70 CCCCCCCCCOCCCCC#N 7a_100000210712_100000211819 [1,1,0,0,0,0|1,0,1]=4 6444 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [1,1,0,0,0,0|0,0,0]=2 6445 B15R0.70 CCCCCCCCCOCCCCCF 34a_100000210712_100000729378 [1,1,0,0,0,0|1,0,1]=4 6446 B15R0.70 CCCCCCCCCOCCCCCF 7a_100000210712_100000729378 [1,1,0,0,0,0|1,0,1]=4 6447 B15R0.70 CCCCCCCCCOCCCCCN 34a_100000762737_100011214924 [1,1,0,0,0,0|1,0,1]=4 6448 B15R0.70 CCCCCCCCCOCCCCCO 34a_100000210712_100000746330 [1,1,0,0,0,0|0,0,1]=3 6449 B15R0.70 CCCCCCCCCOCCCCCO 7a_100000210712_100000746330 [1,1,0,0,0,0|0,0,1]=3 6450 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000210712_100000755781 [1,1,0,0,0,0|1,0,1]=4 6451 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000740925_100011214924 [1,1,0,0,0,0|1,0,1]=4 6452 B15R0.70 CCCCCCCCCOCCCCOC 7a_100000210712_100000730899 [1,1,0,0,0,0|1,0,1]=4 6453 B15R0.70 CCCCCCCCCOCCCCSC 34a_100011217163_100011214924 [1,1,0,0,0,0|2,0,0]=4 6454 B15R0.70 CCCCCCCCCOCCCCSC 7a_100011217163_100000210328 [1,1,0,0,0,0|2,0,0]=4 6455 B15R0.70 CCCCCCCCCOCCOCCO 34a_100000210712_100000692535 [1,1,0,0,0,0|1,0,1]=4 6456 B15R0.70 CCCCCCCCCOCCOCCO 7a_100000210712_100011215305 [1,1,0,0,0,0|1,0,1]=4 6457 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [1,1,0,0,0,0|0,0,0]=2 6458 B15R0.70 CCCCCCCCCSCCCCCO 62a_100000746330_100000210670 [1,1,0,0,0,0|0,0,1]=3 6459 B15R0.70 CCCCCCCCCSCCCCOC 62a_100000730899_100000210670 [1,1,0,0,0,0|1,0,1]=4 6460 B15R0.70 CCCCCCCCCSCCOCCO 62a_100011215305_100000210670 [1,1,0,0,0,0|1,0,1]=4 6461 B15R0.70 CCCCCCCCNCCCCCC#N 2230a_100000229939_100009813376 [1,1,0,0,0,0|1,0,1]=4 6462 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [1,1,0,0,0,0|0,0,0]=2 6463 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [1,1,0,0,0,0|1,0,1]=4 6464 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [1,1,0,0,0,0|1,0,1]=4 6465 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [1,1,0,0,0,0|1,0,1]=4 6466 B15R0.70 CCCCCCCCNCCCCCCF 2230a_100000229939_100015922095 [1,1,0,0,0,0|1,0,1]=4 6467 B15R0.70 CCCCCCCCNCCCCCCF 34a_100000229939_100015922095 [1,1,0,0,0,0|1,0,1]=4 6468 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000229939_100000766143 [1,1,0,0,0,0|0,0,1]=3 6469 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000686447_100000210759 [1,1,0,0,0,0|0,0,1]=3 6470 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000229939_100000766143 [1,1,0,0,0,0|0,0,1]=3 6471 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000686447_100000210759 [1,1,0,0,0,0|0,0,1]=3 6472 B15R0.70 CCCCCCCCNCCCCCOC 2230a_100000747528_100000210759 [1,1,0,0,0,0|1,0,1]=4 6473 B15R0.70 CCCCCCCCNCCCCCOC 34a_100000747528_100000210759 [1,1,0,0,0,0|1,0,1]=4 6474 B15R0.70 CCCCCCCCOCCCCCC#N 7a_100000210232_100009813376 [1,1,0,0,0,0|1,0,1]=4 6475 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [1,1,0,0,0,0|0,0,0]=2 6476 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000210232_100015922095 [1,1,0,0,0,0|1,0,1]=4 6477 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000732779_100000210759 [1,1,0,0,0,0|1,0,1]=4 6478 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000210232_100015922095 [1,1,0,0,0,0|1,0,1]=4 6479 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000732779_100000210759 [1,1,0,0,0,0|1,0,1]=4 6480 B15R0.70 CCCCCCCCOCCCCCCN 34a_100000686447_100000210759 [1,1,0,0,0,0|1,0,1]=4 6481 B15R0.70 CCCCCCCCOCCCCCCO 34a_100000210232_100000766143 [1,1,0,0,0,0|0,0,1]=3 6482 B15R0.70 CCCCCCCCOCCCCCCO 7a_100000210232_100000766143 [1,1,0,0,0,0|0,0,1]=3 6483 B15R0.70 CCCCCCCCOCCCCCNC 34a_100000722520_100000210759 [1,1,0,0,0,0|2,0,0]=4 6484 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [1,1,0,0,0,0|0,0,0]=2 6485 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [1,1,0,0,0,0|0,0,0]=2 6486 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000210759_100000766143 [1,1,0,0,0,0|0,0,1]=3 6487 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000766143_100000210317 [1,1,0,0,0,0|0,0,1]=3 6488 B15R0.70 CCCCCCCNCCCCCCC#N 2230a_100000229938_100009813337 [1,1,0,0,0,0|1,0,1]=4 6489 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100000229938_100000760002 [1,1,0,0,0,0|0,0,1]=3 6490 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100011996573_100000210681 [1,1,0,0,0,0|0,0,1]=3 6491 B15R0.70 CCCCCCCNCCCCCCCO 34a_100011996573_100000210614 [1,1,0,0,0,0|0,0,1]=3 6492 B15R0.70 CCCCCCCNCCCCCCOC 2230a_100000229938_100011998445 [1,1,0,0,0,0|1,0,1]=4 6493 B15R0.70 CCCCCCCNCCCOCCCO 2230a_100011310245_100000210681 [1,1,0,0,0,0|1,0,1]=4 6494 B15R0.70 CCCCCCCNCCCOCCCO 34a_100011310245_100000210614 [1,1,0,0,0,0|1,0,1]=4 6495 B15R0.70 CCCCCCCOCCCCCCC#N 7a_100000210272_100009813337 [1,1,0,0,0,0|1,0,1]=4 6496 B15R0.70 CCCCCCCOCCCCCCCN 34a_100011996573_100000210614 [1,1,0,0,0,0|1,0,1]=4 6497 B15R0.70 CCCCCCCOCCCCCCCO 34a_100000210272_100000760002 [1,1,0,0,0,0|0,0,1]=3 6498 B15R0.70 CCCCCCCOCCCCCCCO 7a_100000210272_100000760002 [1,1,0,0,0,0|0,0,1]=3 6499 B15R0.70 CCCCCCCOCCCCCCOC 34a_100000210272_100011998445 [1,1,0,0,0,0|1,0,1]=4 6500 B15R0.70 CCCCCCCOCCCCCCOC 34a_200012092642_100000210614 [1,1,0,0,0,0|1,0,1]=4 6501 B15R0.70 CCCCCCCOCCCCCCOC 7a_100000210272_100011998445 [1,1,0,0,0,0|1,0,1]=4 6502 B15R0.70 CCCCCCCOCCCCCCOC 7a_200012092642_100000210614 [1,1,0,0,0,0|1,0,1]=4 6503 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000210614_100000760002 [1,1,0,0,0,0|0,0,1]=3 6504 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000760002_100000210316 [1,1,0,0,0,0|0,0,1]=3 6505 B15R0.70 CCCCCCCSCCCCCCOC 62a_100000210614_100011998445 [1,1,0,0,0,0|1,0,1]=4 6506 B15R0.70 CCCCCCCSCCCCCCOC 62a_100011998445_100000210316 [1,1,0,0,0,0|1,0,1]=4 6507 B15R0.70 CCCCCCNCCCCCCCCO 2230a_100000210581_100000033203 [1,1,0,0,0,0|0,0,1]=3 6508 B15R0.70 CCCCCCNCCCCCCCCO 2230a_102515433106_100000210314 [1,1,0,0,0,0|0,0,1]=3 6509 B15R0.70 CCCCCCNCCCCCCCCO 34a_102515433106_100000210314 [1,1,0,0,0,0|0,0,1]=3 6510 B15R0.70 CCCCCCOCCCCCCCCN 34a_102515433106_100000210314 [1,1,0,0,0,0|1,0,1]=4 6511 B15R0.70 CCCCCCOCCCCCCCCO 34a_100000210259_100000033203 [1,1,0,0,0,0|0,0,1]=3 6512 B15R0.70 CCCCCCOCCCCCCCCO 7a_100000210259_100000033203 [1,1,0,0,0,0|0,0,1]=3 6513 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [1,1,0,0,0,0|1,0,0]=3 6514 B15R0.70 CCCCCCOCCOCCCCCO 34a_100000691444_100000746330 [1,1,0,0,0,0|1,0,1]=4 6515 B15R0.70 CCCCCCOCCOCCCCCO 7a_100000691444_100000746330 [1,1,0,0,0,0|1,0,1]=4 6516 B15R0.70 CCCCCCOCCOCCOCC=O 34a_100000032842_200009817547 [1,1,0,0,0,0|2,0,0]=4 6517 B15R0.70 CCCCCCOCCOCCOCC=O 7a_100000032842_200015260668 [1,1,0,0,0,0|2,0,0]=4 6518 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000033203_100000210757 [1,1,0,0,0,0|0,0,1]=3 6519 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000210314_100000033203 [1,1,0,0,0,0|0,0,1]=3 6520 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000078944_100000210326 [1,1,0,0,0,0|0,0,1]=3 6521 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000209983_100009813782 [1,1,0,0,0,0|0,0,1]=3 6522 B15R0.70 CCCCCNCCCCCCCCCO 34a_100000078944_100000718602 [1,1,0,0,0,0|0,0,1]=3 6523 B15R0.70 CCCCCNCCOCCCCCCO 34a_100000224656_100000766143 [1,1,0,0,0,0|1,0,1]=4 6524 B15R0.70 CCCCCOCCCCCCCCCN 34a_100000078944_100000718602 [1,1,0,0,0,0|1,0,1]=4 6525 B15R0.70 CCCCCOCCCCCCCCCO 34a_100000210253_100009813782 [1,1,0,0,0,0|0,0,1]=3 6526 B15R0.70 CCCCCOCCCCCCCCCO 7a_100000210253_100009813782 [1,1,0,0,0,0|0,0,1]=3 6527 B15R0.70 CCCCCOCCOCCCCCC=O 7a_100011215259_100000139337 [1,1,0,0,0,0|1,0,0]=3 6528 B15R0.70 CCCCCOCCOCCCCCCO 34a_100011215259_100000766143 [1,1,0,0,0,0|1,0,1]=4 6529 B15R0.70 CCCCCOCCOCCCCCCO 7a_100011215259_100000766143 [1,1,0,0,0,0|1,0,1]=4 6530 B15R0.70 CCCCCSCCCCCCCCCO 62a_100000210326_100009813782 [1,1,0,0,0,0|0,0,1]=3 6531 B15R0.70 CCCCCSCCCCCCCCCO 62a_100009813782_100000210326 [1,1,0,0,0,0|0,0,1]=3 6532 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000066964_100000210211 [1,1,0,0,0,0|0,0,1]=3 6533 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000102301_100009813290 [1,1,0,0,0,0|0,0,1]=3 6534 B15R0.70 CCCCNCCCCCCCCCCO 34a_100000066964_100000210210 [1,1,0,0,0,0|0,0,1]=3 6535 B15R0.70 CCCCNCCCCCCCCCCO 7a_106832991798_100009813290 [1,1,0,0,0,0|0,0,1]=3 6536 B15R0.70 CCCCNCCCCOCCCCCO 34a_200011216965_100000746330 [1,1,0,0,0,0|1,0,1]=4 6537 B15R0.70 CCCCOCCCCCCCCCCN 34a_100000066964_100000210210 [1,1,0,0,0,0|1,0,1]=4 6538 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [1,1,0,0,0,0|0,0,1]=3 6539 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [1,1,0,0,0,0|0,0,1]=3 6540 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [1,1,0,0,0,0|1,0,0]=3 6541 B15R0.70 CCCCOCCCCOCCCCCO 34a_200000760531_100000746330 [1,1,0,0,0,0|1,0,1]=4 6542 B15R0.70 CCCCOCCCCOCCCCCO 7a_200000760531_100000746330 [1,1,0,0,0,0|1,0,1]=4 6543 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [1,1,0,0,0,0|1,0,0]=3 6544 B15R0.70 CCCCOCCCNCCCCCCO 2230a_200000211371_100000766143 [1,1,0,0,0,0|1,0,1]=4 6545 B15R0.70 CCCCOCCCNCCCCCCO 34a_200000211371_100000766143 [1,1,0,0,0,0|1,0,1]=4 6546 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [1,1,0,0,0,0|1,0,0]=3 6547 B15R0.70 CCCCOCCCOCCCCCCO 34a_200011215613_100000766143 [1,1,0,0,0,0|1,0,1]=4 6548 B15R0.70 CCCCOCCCOCCCCCCO 7a_200011215613_100000766143 [1,1,0,0,0,0|1,0,1]=4 6549 B15R0.70 CCCCOCCNCCCCCCCO 2230a_100011996573_100000743108 [1,1,0,0,0,0|1,0,1]=4 6550 B15R0.70 CCCCOCCNCCCCCCCO 34a_100011996573_100000743108 [1,1,0,0,0,0|1,0,1]=4 6551 B15R0.70 CCCCOCCOCCCCCCCO 34a_100000210238_100000760002 [1,1,0,0,0,0|1,0,1]=4 6552 B15R0.70 CCCCOCCOCCCCCCCO 7a_100000210238_100000760002 [1,1,0,0,0,0|1,0,1]=4 6553 B15R0.70 CCCCOCCOCCOCCCC=O 7a_100011215186_200011292268 [1,1,0,0,0,0|2,0,0]=4 6554 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000743108_100000760002 [1,1,0,0,0,0|1,0,1]=4 6555 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000760002_100000743108 [1,1,0,0,0,0|1,0,1]=4 6556 B15R0.70 CCCCOCNCCCCCCCCO 2230a_102515433106_100011995733 [1,1,0,0,0,0|1,0,1]=4 6557 B15R0.70 CCCCOCNCCCCCCCCO 34a_102515433106_100011995733 [1,1,0,0,0,0|1,0,1]=4 6558 B15R0.70 CCCCOCSCCCCCCCCO 62a_100000033203_100011995733 [1,1,0,0,0,0|1,0,1]=4 6559 B15R0.70 CCCCOCSCCCCCCCCO 62a_100011995733_100000033203 [1,1,0,0,0,0|1,0,1]=4 6560 B15R0.70 CCCCSCCCCCCCCCCO 62a_100000210211_200000033068 [1,1,0,0,0,0|0,0,1]=3 6561 B15R0.70 CCCCSCCCCCCCCCCO 62a_100009813290_100000210210 [1,1,0,0,0,0|0,0,1]=3 6562 B15R0.70 CCCCSCCNCCCCCCCO 2230a_100025743550_100000760002 [1,1,0,0,0,0|1,0,1]=4 6563 B15R0.70 CCCCSCCOCCCCCCCO 34a_200000230436_100000760002 [1,1,0,0,0,0|1,0,1]=4 6564 B15R0.70 CCCCSCCOCCCCCCCO 7a_200000230436_100000760002 [1,1,0,0,0,0|1,0,1]=4 6565 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [1,1,0,0,0,0|0,0,1]=3 6566 B15R0.70 CCCOCCCNCCCCCCCO 2230a_100011217757_100000760002 [1,1,0,0,0,0|1,0,1]=4 6567 B15R0.70 CCCOCCCNCCCCCCCO 34a_100011217757_100000760002 [1,1,0,0,0,0|1,0,1]=4 6568 B15R0.70 CCCOCCNCCCCCCCCO 2230a_100161115042_100000033203 [1,1,0,0,0,0|1,0,1]=4 6569 B15R0.70 CCCOCCNCCCCCCCCO 2230a_102515433106_100011215938 [1,1,0,0,0,0|1,0,1]=4 6570 B15R0.70 CCCOCCNCCCCCCCCO 34a_100161115042_100000033203 [1,1,0,0,0,0|1,0,1]=4 6571 B15R0.70 CCCOCCNCCCCCCCCO 34a_102515433106_100011215938 [1,1,0,0,0,0|1,0,1]=4 6572 B15R0.70 CCCOCCOCCCCCCCCO 34a_100000752267_100000033203 [1,1,0,0,0,0|1,0,1]=4 6573 B15R0.70 CCCOCCOCCCCCCCCO 7a_100000752267_100000033203 [1,1,0,0,0,0|1,0,1]=4 6574 B15R0.70 CCCOCCOCCNCCCCC=O 2230a_200011904461_100000139335 [1,1,0,0,0,0|2,0,0]=4 6575 B15R0.70 CCCOCCSCCCCCCCCO 62a_100000033203_100011215938 [1,1,0,0,0,0|1,0,1]=4 6576 B15R0.70 CCCOCCSCCCCCCCCO 62a_100011215938_100000033203 [1,1,0,0,0,0|1,0,1]=4 6577 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [1,1,0,0,0,0|0,0,1]=3 6578 B15R0.70 CCCSCCNCCCCCCCCO 2230a_100020603323_100000033203 [1,1,0,0,0,0|1,0,1]=4 6579 B15R0.70 CCCSCCOCCCCCCCCO 34a_200000230433_100000033203 [1,1,0,0,0,0|1,0,1]=4 6580 B15R0.70 CCCSCCOCCCCCCCCO 7a_200000230433_100000033203 [1,1,0,0,0,0|1,0,1]=4 6581 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100000066677_100000210202 [1,1,0,0,0,0|0,0,1]=3 6582 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100015525214_100009813331 [1,1,0,0,0,0|0,0,1]=3 6583 B15R0.70 CCNCCCCCCCCCCCCO 34a_100000066677_100000210202 [1,1,0,0,0,0|0,0,1]=3 6584 B15R0.70 CCNCCCCCCOCCCCCO 2230a_100015525214_200132310570 [1,1,0,0,0,0|1,0,1]=4 6585 B15R0.70 CCOCCCCCCCCCCCCN 34a_100000066677_100000210202 [1,1,0,0,0,0|1,0,1]=4 6586 B15R0.70 CCOCCCCCCCCCCCCO 34a_100121572206_100009813331 [1,1,0,0,0,0|0,0,1]=3 6587 B15R0.70 CCOCCCCCCCCCOCC=O 34a_100009875440_200009817547 [1,1,0,0,0,0|1,0,0]=3 6588 B15R0.70 CCOCCCCCCCCCOCC=O 7a_100009875440_200015260668 [1,1,0,0,0,0|1,0,0]=3 6589 B15R0.70 CCOCCCCCCCCCOCCO 34a_100009875440_100000211926 [1,1,0,0,0,0|1,0,1]=4 6590 B15R0.70 CCOCCCCCCCCCOCCO 7a_100009875440_100000211926 [1,1,0,0,0,0|1,0,1]=4 6591 B15R0.70 CCOCCCCCCOCCCCCO 34a_100121572206_200132310570 [1,1,0,0,0,0|1,0,1]=4 6592 B15R0.70 CCOCCCNCCCCCCCCO 2230a_100000210961_100000033203 [1,1,0,0,0,0|1,0,1]=4 6593 B15R0.70 CCOCCCNCCCCCCCCO 2230a_102515433106_100012232248 [1,1,0,0,0,0|1,0,1]=4 6594 B15R0.70 CCOCCCNCCCCCCCCO 34a_100000210961_100000033203 [1,1,0,0,0,0|1,0,1]=4 6595 B15R0.70 CCOCCCNCCCCCCCCO 34a_102515433106_100012232248 [1,1,0,0,0,0|1,0,1]=4 6596 B15R0.70 CCOCCCOCCCCCCCCO 34a_100000757476_100000033203 [1,1,0,0,0,0|1,0,1]=4 6597 B15R0.70 CCOCCCOCCCCCCCCO 7a_100000757476_100000033203 [1,1,0,0,0,0|1,0,1]=4 6598 B15R0.70 CCOCCCSCCCCCCCCO 62a_100000033203_100012232248 [1,1,0,0,0,0|1,0,1]=4 6599 B15R0.70 CCOCCCSCCCCCCCCO 62a_100012232248_100000033203 [1,1,0,0,0,0|1,0,1]=4 6600 B15R0.70 CCOCCNCCCCCCCCCO 2230a_100000078944_100011215890 [1,1,0,0,0,0|1,0,1]=4 6601 B15R0.70 CCOCCNCCCCCCCCCO 2230a_102516460346_100009813782 [1,1,0,0,0,0|1,0,1]=4 6602 B15R0.70 CCOCCNCCCCCCCCCO 34a_100000078944_100000210147 [1,1,0,0,0,0|1,0,1]=4 6603 B15R0.70 CCOCCNCCCCCCCCCO 34a_102516460346_100009813782 [1,1,0,0,0,0|1,0,1]=4 6604 B15R0.70 CCOCCOCCCCCCCCCO 34a_100000210136_100009813782 [1,1,0,0,0,0|1,0,1]=4 6605 B15R0.70 CCOCCOCCCCCCCCCO 7a_100000210136_100009813782 [1,1,0,0,0,0|1,0,1]=4 6606 B15R0.70 CCOCCOCCNCCCCCC=O 2230a_100102712874_100000139337 [1,1,0,0,0,0|2,0,0]=4 6607 B15R0.70 CCOCCOCCOCCCCCC=O 7a_100000210240_100000139337 [1,1,0,0,0,0|2,0,0]=4 6608 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100000139337_100011211534 [1,1,0,0,0,0|2,0,0]=4 6609 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100011211534_100000139337 [1,1,0,0,0,0|2,0,0]=4 6610 B15R0.70 CCOCCSCCCCCCCCCO 62a_100000210147_100009813782 [1,1,0,0,0,0|1,0,1]=4 6611 B15R0.70 CCOCCSCCCCCCCCCO 62a_100009813782_100011215890 [1,1,0,0,0,0|1,0,1]=4 6612 B15R0.70 CCOCSCCCCCCCCCCO 62a_100000739092_200000033068 [1,1,0,0,0,0|1,0,1]=4 6613 B15R0.70 CCOCSCCCCCCCCCCO 62a_100009813290_100000739092 [1,1,0,0,0,0|1,0,1]=4 6614 B15R0.70 CCSCCCCCCCCCCCCO 62a_100009813331_100000210202 [1,1,0,0,0,0|0,0,1]=3 6615 B15R0.70 CCSCCCCCCOCCCCCO 62a_100000210202_200132310570 [1,1,0,0,0,0|1,0,1]=4 6616 B15R0.70 CCSCCCCCCOCCCCCO 62a_200132310570_100000210202 [1,1,0,0,0,0|1,0,1]=4 6617 B15R0.70 CCSCCCOCCCCCCCCO 34a_100011216438_100000033203 [1,1,0,0,0,0|1,0,1]=4 6618 B15R0.70 CCSCCCOCCCCCCCCO 7a_100011216438_100000033203 [1,1,0,0,0,0|1,0,1]=4 6619 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000078944_100000757381 [1,1,0,0,0,0|1,0,1]=4 6620 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000106463_100009813782 [1,1,0,0,0,0|1,0,1]=4 6621 B15R0.70 CCSCCNCCCCCCCCCO 34a_100000078944_100000757381 [1,1,0,0,0,0|1,0,1]=4 6622 B15R0.70 CCSCCOCCCCCCCCCO 34a_100000212035_100009813782 [1,1,0,0,0,0|1,0,1]=4 6623 B15R0.70 CCSCCOCCCCCCCCCO 7a_100000212035_100009813782 [1,1,0,0,0,0|1,0,1]=4 6624 B15R0.70 CCSCCSCCCCCCCCCO 62a_100000757381_100009813782 [1,1,0,0,0,0|1,0,1]=4 6625 B15R0.70 CCSCCSCCCCCCCCCO 62a_100009813782_100000757381 [1,1,0,0,0,0|1,0,1]=4 6626 B15R0.70 CNCCCCCCCCCCCCCO 2230a_106832991635_100009812470 [1,1,0,0,0,0|0,0,1]=3 6627 B15R0.70 CNCCCCCCCCCCCCCO 34a_100102657272_100009812470 [1,1,0,0,0,0|0,0,1]=3 6628 B15R0.70 CNCCCCCCCCCCCCCO 7a_106832991635_100009812470 [1,1,0,0,0,0|0,0,1]=3 6629 B15R0.70 CNCCCCCOCCCCCCCO 34a_100000722520_100000760002 [1,1,0,0,0,0|1,0,1]=4 6630 B15R0.70 CNCCCOCCCCCCCCCO 34a_100000213112_100009813782 [1,1,0,0,0,0|1,0,1]=4 6631 B15R0.70 COCCCCCCCCCCCCCO 34a_100138415774_100009812470 [1,1,0,0,0,0|0,0,1]=3 6632 B15R0.70 COCCCCCCNCCCCCCO 2230a_100000686447_100011998445 [1,1,0,0,0,0|1,0,1]=4 6633 B15R0.70 COCCCCCCNCCCCCCO 34a_100000686447_100011998445 [1,1,0,0,0,0|1,0,1]=4 6634 B15R0.70 COCCCCCCOCCCCCC=O 7a_200012092642_100000139337 [1,1,0,0,0,0|1,0,0]=3 6635 B15R0.70 COCCCCCCOCCCCCCO 34a_200012092642_100000766143 [1,1,0,0,0,0|1,0,1]=4 6636 B15R0.70 COCCCCCCOCCCCCCO 7a_200012092642_100000766143 [1,1,0,0,0,0|1,0,1]=4 6637 B15R0.70 COCCCCCCSCCCCCC=O 62a_100000139337_100011998445 [1,1,0,0,0,0|1,0,0]=3 6638 B15R0.70 COCCCCCCSCCCCCC=O 62a_100011998445_100000139337 [1,1,0,0,0,0|1,0,0]=3 6639 B15R0.70 COCCCCCCSCCCCCCO 62a_100000766143_100011998445 [1,1,0,0,0,0|1,0,1]=4 6640 B15R0.70 COCCCCCCSCCCCCCO 62a_100011998445_100000766143 [1,1,0,0,0,0|1,0,1]=4 6641 B15R0.70 COCCCCCNCCCCCCCO 2230a_100000747528_100000760002 [1,1,0,0,0,0|1,0,1]=4 6642 B15R0.70 COCCCCCNCCCCCCCO 34a_100000747528_100000760002 [1,1,0,0,0,0|1,0,1]=4 6643 B15R0.70 COCCCCNCCCCCCCCO 2230a_102515433106_100000730899 [1,1,0,0,0,0|1,0,1]=4 6644 B15R0.70 COCCCCNCCCCCCCCO 34a_102515433106_100000755781 [1,1,0,0,0,0|1,0,1]=4 6645 B15R0.70 COCCCCOCCCCCCCCO 34a_100000740925_100000033203 [1,1,0,0,0,0|1,0,1]=4 6646 B15R0.70 COCCCCSCCCCCCCCO 62a_100000033203_100000730899 [1,1,0,0,0,0|1,0,1]=4 6647 B15R0.70 COCCCCSCCCCCCCCO 62a_100000730899_100000033203 [1,1,0,0,0,0|1,0,1]=4 6648 B15R0.70 COCCCNCCCCCCCCCO 2230a_100000078944_100000740836 [1,1,0,0,0,0|1,0,1]=4 6649 B15R0.70 COCCCNCCCCCCCCCO 34a_100000078944_100000740836 [1,1,0,0,0,0|1,0,1]=4 6650 B15R0.70 COCCCNCCCCCCCCCO 34a_100150723488_100009813782 [1,1,0,0,0,0|1,0,1]=4 6651 B15R0.70 COCCCOCCCCCCCCCO 34a_100000740835_100009813782 [1,1,0,0,0,0|1,0,1]=4 6652 B15R0.70 COCCCOCCCOCCCCC=O 7a_200011215475_100000139335 [1,1,0,0,0,0|2,0,0]=4 6653 B15R0.70 COCCCSCCCCCCCCCO 62a_100000709357_100009813782 [1,1,0,0,0,0|1,0,1]=4 6654 B15R0.70 COCCCSCCCCCCCCCO 62a_100009813782_100000709357 [1,1,0,0,0,0|1,0,1]=4 6655 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000066964_100011201679 [1,1,0,0,0,0|1,0,1]=4 6656 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000209980_100009813290 [1,1,0,0,0,0|1,0,1]=4 6657 B15R0.70 COCCNCCCCCCCCCCO 34a_100000066964_100011201679 [1,1,0,0,0,0|1,0,1]=4 6658 B15R0.70 COCCOCCCCCCCCCCO 34a_100000210237_100009813290 [1,1,0,0,0,0|1,0,1]=4 6659 B15R0.70 COCCOCCCNCCCCCC=O 2230a_100000206027_100000139337 [1,1,0,0,0,0|2,0,0]=4 6660 B15R0.70 COCCOCCCSCCCCCC=O 62a_100000139337_100011216529 [1,1,0,0,0,0|2,0,0]=4 6661 B15R0.70 COCCOCCCSCCCCCC=O 62a_100011216529_100000139337 [1,1,0,0,0,0|2,0,0]=4 6662 B15R0.70 COCCSCCCCCCCCCCO 62a_100000233755_200000033068 [1,1,0,0,0,0|1,0,1]=4 6663 B15R0.70 COCCSCCCCCCCCCCO 62a_100009813290_100000233755 [1,1,0,0,0,0|1,0,1]=4 6664 B15R0.70 COCSCCCCCCCCCCCO 62a_100009812471_100000766300 [1,1,0,0,0,0|1,0,1]=4 6665 B15R0.70 CSCCCCCCCCCCCCCO 62a_100009812470_200000210301 [1,1,0,0,0,0|0,0,1]=3 6666 B15R0.70 CSCCCCOCCCCCCCCO 34a_100011217163_100000033203 [1,1,0,0,0,0|1,0,1]=4 6667 B15R0.70 CSCCCCOCCCCCCCCO 7a_100011217163_100000033203 [1,1,0,0,0,0|1,0,1]=4 6668 B15R0.70 CSCCCNCCCCCCCCCO 2230a_100000749238_100009813782 [1,1,0,0,0,0|1,0,1]=4 6669 B15R0.70 CSCCCOCCCCCCCCCO 34a_100000690336_100009813782 [1,1,0,0,0,0|1,0,1]=4 6670 B15R0.70 CSCCCOCCCCCCCCCO 7a_100000690336_100009813782 [1,1,0,0,0,0|1,0,1]=4 6671 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100000066964_100000751147 [1,1,0,0,0,0|1,0,1]=4 6672 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100020590264_100009813290 [1,1,0,0,0,0|1,0,1]=4 6673 B15R0.70 CSCCNCCCCCCCCCCO 34a_100000066964_100000212216 [1,1,0,0,0,0|1,0,1]=4 6674 B15R0.70 CSCCOCCCCCCCCCCO 34a_100000230434_100009813290 [1,1,0,0,0,0|1,0,1]=4 6675 B15R0.70 CSCCOCCCCCCCCCCO 7a_100000230434_100009813290 [1,1,0,0,0,0|1,0,1]=4 6676 B15R0.70 CSCCSCCCCCCCCCCO 62a_100000212216_200000033068 [1,1,0,0,0,0|1,0,1]=4 6677 B15R0.70 CSCCSCCCCCCCCCCO 62a_100009813290_100000751147 [1,1,0,0,0,0|1,0,1]=4 6678 B15R0.70 CSCSCCCCCCCCCCCO 62a_100009812471_100011218213 [1,1,0,0,0,0|1,0,1]=4 6679 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100000139337_100009813337 [1,1,0,0,0,0|1,0,1]=4 6680 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100009813337_100000139337 [1,1,0,0,0,0|1,0,1]=4 6681 B15R0.70 NCCCCCCCCCCOCCCO 34a_100000066964_100000230001 [1,1,0,0,0,0|1,0,1]=4 6682 B15R0.70 NCCCCCCCCCOCCCCO 34a_100000078944_100011216708 [1,1,0,0,0,0|1,0,1]=4 6683 B15R0.70 NCCCCCCCCOCCCCCO 34a_102515433106_100000746330 [1,1,0,0,0,0|1,0,1]=4 6684 B15R0.70 NCCCCCCCOCCCCCCO 34a_100011996573_100000766143 [1,1,0,0,0,0|1,0,1]=4 6685 B15R0.70 NCCCCCCOCCCCCCCO 34a_100000686447_100000760002 [1,1,0,0,0,0|1,0,1]=4 6686 B15R0.70 NCCCCCOCCCCCCCCO 34a_100000762737_100000033203 [1,1,0,0,0,0|1,0,1]=4 6687 B15R0.70 NCCCCOCCCCCCCCCO 34a_100000750430_100009813782 [1,1,0,0,0,0|1,0,1]=4 6688 B15R0.70 NCCCOCCCCCCCCCCO 34a_100000182051_100009813290 [1,1,0,0,0,0|1,0,1]=4 6689 B15R0.70 NCCOCCCCCCCCCCCO 34a_100000210304_100009812471 [1,1,0,0,0,0|1,0,1]=4 6690 B15R0.70 O=CCCCCCNCCCCCCCO 2230a_100011996573_100000139337 [1,1,0,0,0,0|1,0,0]=3 6691 B15R0.70 O=CCCCCCNCCCOCCCO 2230a_100011310245_100000139337 [1,1,0,0,0,0|2,0,0]=4 6692 B15R0.70 O=CCCCCCOCCCCCCCBr 7a_100000760002_100000139337 [1,1,0,0,0,0|1,0,0]=3 6693 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000139337_100000760002 [1,1,0,0,0,0|1,0,0]=3 6694 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000760002_100000139337 [1,1,0,0,0,0|1,0,0]=3 6695 B15R0.70 O=CCCCCNCCCCCCCCO 2230a_102515433106_100000139335 [1,1,0,0,0,0|1,0,0]=3 6696 B15R0.70 O=CCCCCOCCCCCCCCBr 7a_100009813846_100000139335 [1,1,0,0,0,0|1,0,0]=3 6697 B15R0.70 O=CCCCCOCCCCCCCCCl 7a_100000033203_100000139335 [1,1,0,0,0,0|1,0,0]=3 6698 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000033203_100000139335 [1,1,0,0,0,0|1,0,0]=3 6699 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000139335_100000033203 [1,1,0,0,0,0|1,0,0]=3 6700 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [1,1,0,0,0,0|1,0,0]=3 6701 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [1,1,0,0,0,0|1,0,0]=3 6702 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [1,1,0,0,0,0|1,0,0]=3 6703 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [1,1,0,0,0,0|1,0,0]=3 6704 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [1,1,0,0,0,0|1,0,0]=3 6705 B15R0.70 O=CCOCCCCCCCCCCCBr 34a_100009812471_200009817547 [1,1,0,0,0,0|1,0,0]=3 6706 B15R0.70 O=CCOCCCCCCCCCCCBr 7a_100009812471_200015260668 [1,1,0,0,0,0|1,0,0]=3 6707 B15R0.70 O=CCSCCCCCCCCCCCO 62a_100009812471_200015260668 [1,1,0,0,0,0|1,0,0]=3 6708 B15R0.70 OCCCCCCCCCCCCNCF 34a_100000066677_100015361967 [1,1,0,0,0,0|1,0,1]=4 6709 B15R0.70 OCCCCCCCCCCCCSCF 62a_100009813331_100015361967 [1,1,0,0,0,0|1,0,1]=4 6710 B15R0.70 OCCCCCCCCCCCNCCF 34a_100000724931_100009812471 [1,1,0,0,0,0|1,0,1]=4 6711 B15R0.70 OCCCCCCCCCCCNCCO 2230a_100016997473_100009812471 [1,1,0,0,0,0|1,0,1]=4 6712 B15R0.70 OCCCCCCCCCCCNCCO 34a_100016990907_100009812471 [1,1,0,0,0,0|1,0,1]=4 6713 B15R0.70 OCCCCCCCCCCCOCCBr 34a_100000211926_100009812471 [1,1,0,0,0,0|1,0,1]=4 6714 B15R0.70 OCCCCCCCCCCCSCCF 62a_100009812471_100011217306 [1,1,0,0,0,0|1,0,1]=4 6715 B15R0.70 OCCCCCCCCCCCSCCO 62a_100009812471_100000211926 [1,1,0,0,0,0|1,0,1]=4 6716 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100000066964_100011934791 [1,1,0,0,0,0|1,0,1]=4 6717 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100015189416_100009813290 [1,1,0,0,0,0|1,0,1]=4 6718 B15R0.70 OCCCCCCCCCCNCCCF 34a_100000066964_100011934791 [1,1,0,0,0,0|1,0,1]=4 6719 B15R0.70 OCCCCCCCCCCNCCCF 34a_100015189416_100009813290 [1,1,0,0,0,0|1,0,1]=4 6720 B15R0.70 OCCCCCCCCCCNCCCO 2230a_100000066964_100000230001 [1,1,0,0,0,0|1,0,1]=4 6721 B15R0.70 OCCCCCCCCCCNCCCO 34a_100000066964_100000230001 [1,1,0,0,0,0|1,0,1]=4 6722 B15R0.70 OCCCCCCCCCCOCCCBr 34a_100011217188_100009813290 [1,1,0,0,0,0|1,0,1]=4 6723 B15R0.70 OCCCCCCCCCCOCCCCl 34a_100000230001_100009813290 [1,1,0,0,0,0|1,0,1]=4 6724 B15R0.70 OCCCCCCCCCCOCCCF 34a_100000759539_100009813290 [1,1,0,0,0,0|1,0,1]=4 6725 B15R0.70 OCCCCCCCCCCSCCCF 62a_100009813290_100011934791 [1,1,0,0,0,0|1,0,1]=4 6726 B15R0.70 OCCCCCCCCCCSCCCF 62a_100011934791_200000033068 [1,1,0,0,0,0|1,0,1]=4 6727 B15R0.70 OCCCCCCCCCCSCCCO 62a_100009813290_100011215043 [1,1,0,0,0,0|1,0,1]=4 6728 B15R0.70 OCCCCCCCCCCSCCCO 62a_100011215043_200000033068 [1,1,0,0,0,0|1,0,1]=4 6729 B15R0.70 OCCCCCCCCCNCCCCF 2230a_100000078944_100000729493 [1,1,0,0,0,0|1,0,1]=4 6730 B15R0.70 OCCCCCCCCCNCCCCF 34a_100000078944_100000729493 [1,1,0,0,0,0|1,0,1]=4 6731 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000078944_100000210776 [1,1,0,0,0,0|1,0,1]=4 6732 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000750430_100009813782 [1,1,0,0,0,0|1,0,1]=4 6733 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000078944_100011216708 [1,1,0,0,0,0|1,0,1]=4 6734 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000750430_100009813782 [1,1,0,0,0,0|1,0,1]=4 6735 B15R0.70 OCCCCCCCCCOCCCCBr 34a_100011216708_100009813782 [1,1,0,0,0,0|1,0,1]=4 6736 B15R0.70 OCCCCCCCCCOCCCCCl 34a_100000210776_100009813782 [1,1,0,0,0,0|1,0,1]=4 6737 B15R0.70 OCCCCCCCCCOCCCCCl 7a_100000210776_100009813782 [1,1,0,0,0,0|1,0,1]=4 6738 B15R0.70 OCCCCCCCCCOCCCCF 34a_100011995726_100009813782 [1,1,0,0,0,0|1,0,1]=4 6739 B15R0.70 OCCCCCCCCCOCCCCF 7a_100011995726_100009813782 [1,1,0,0,0,0|1,0,1]=4 6740 B15R0.70 OCCCCCCCCCOCCCCI 34a_200012148704_100009813782 [1,1,0,0,0,0|1,0,1]=4 6741 B15R0.70 OCCCCCCCCCSCCCCF 62a_100000729493_100009813782 [1,1,0,0,0,0|1,0,1]=4 6742 B15R0.70 OCCCCCCCCCSCCCCF 62a_100009813782_100000729493 [1,1,0,0,0,0|1,0,1]=4 6743 B15R0.70 OCCCCCCCCCSCCCCO 62a_100000210776_100009813782 [1,1,0,0,0,0|1,0,1]=4 6744 B15R0.70 OCCCCCCCCCSCCCCO 62a_100009813782_100000210776 [1,1,0,0,0,0|1,0,1]=4 6745 B15R0.70 OCCCCCCCCNCCCCCF 2230a_102515433106_100000729378 [1,1,0,0,0,0|1,0,1]=4 6746 B15R0.70 OCCCCCCCCNCCCCCF 34a_102515433106_100000729378 [1,1,0,0,0,0|1,0,1]=4 6747 B15R0.70 OCCCCCCCCNCCCCCO 2230a_100000762737_100000033203 [1,1,0,0,0,0|1,0,1]=4 6748 B15R0.70 OCCCCCCCCNCCCCCO 2230a_102515433106_100000746330 [1,1,0,0,0,0|1,0,1]=4 6749 B15R0.70 OCCCCCCCCNCCCCCO 34a_100000762737_100000033203 [1,1,0,0,0,0|1,0,1]=4 6750 B15R0.70 OCCCCCCCCNCCCCCO 34a_102515433106_100000746330 [1,1,0,0,0,0|1,0,1]=4 6751 B15R0.70 OCCCCCCCCOCCCCCBr 34a_100000746331_100000033203 [1,1,0,0,0,0|1,0,1]=4 6752 B15R0.70 OCCCCCCCCOCCCCCBr 7a_100000746331_100000033203 [1,1,0,0,0,0|1,0,1]=4 6753 B15R0.70 OCCCCCCCCOCCCCCCl 34a_100000746330_100000033203 [1,1,0,0,0,0|1,0,1]=4 6754 B15R0.70 OCCCCCCCCOCCCCCCl 7a_100000746330_100000033203 [1,1,0,0,0,0|1,0,1]=4 6755 B15R0.70 OCCCCCCCCOCCCCCI 34a_200012148887_100000033203 [1,1,0,0,0,0|1,0,1]=4 6756 B15R0.70 OCCCCCCCCOCCCCCI 7a_200012148887_100000033203 [1,1,0,0,0,0|1,0,1]=4 6757 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000033203_100000729378 [1,1,0,0,0,0|1,0,1]=4 6758 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000729378_100000033203 [1,1,0,0,0,0|1,0,1]=4 6759 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000033203_100000746330 [1,1,0,0,0,0|1,0,1]=4 6760 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000746330_100000033203 [1,1,0,0,0,0|1,0,1]=4 6761 B15R0.70 OCCCCCCCNCCCCCCF 2230a_100011996573_100015922095 [1,1,0,0,0,0|1,0,1]=4 6762 B15R0.70 OCCCCCCCNCCCCCCF 34a_100011996573_100015922095 [1,1,0,0,0,0|1,0,1]=4 6763 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100000686447_100000760002 [1,1,0,0,0,0|1,0,1]=4 6764 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100011996573_100000766143 [1,1,0,0,0,0|1,0,1]=4 6765 B15R0.70 OCCCCCCCNCCCCCCO 34a_100000686447_100000760002 [1,1,0,0,0,0|1,0,1]=4 6766 B15R0.70 OCCCCCCCNCCCCCCO 34a_100011996573_100000766143 [1,1,0,0,0,0|1,0,1]=4 6767 B15R0.70 OCCCCCCCOCCCCCCBr 34a_100011215345_100000760002 [1,1,0,0,0,0|1,0,1]=4 6768 B15R0.70 OCCCCCCCOCCCCCCBr 7a_100011215345_100000760002 [1,1,0,0,0,0|1,0,1]=4 6769 B15R0.70 OCCCCCCCOCCCCCCCl 34a_100000766143_100000760002 [1,1,0,0,0,0|1,0,1]=4 6770 B15R0.70 OCCCCCCCOCCCCCCCl 7a_100000766143_100000760002 [1,1,0,0,0,0|1,0,1]=4 6771 B15R0.70 OCCCCCCCOCCCCCCF 34a_100000732779_100000760002 [1,1,0,0,0,0|1,0,1]=4 6772 B15R0.70 OCCCCCCCOCCCCCCF 7a_100000732779_100000760002 [1,1,0,0,0,0|1,0,1]=4 6773 B15R0.70 OCCCCCCCSCCCCCCF 62a_100000760002_100015922095 [1,1,0,0,0,0|1,0,1]=4 6774 B15R0.70 OCCCCCCCSCCCCCCF 62a_100015922095_100000760002 [1,1,0,0,0,0|1,0,1]=4 6775 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000760002_100000766143 [1,1,0,0,0,0|1,0,1]=4 6776 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000766143_100000760002 [1,1,0,0,0,0|1,0,1]=4 6777 B15R0.70 OCCCCCCOCCCCCCCBr 34a_100000760002_100000766143 [1,1,0,0,0,0|1,0,1]=4 6778 B15R0.70 OCCCCCCOCCCCCCCBr 7a_100000760002_100000766143 [1,1,0,0,0,0|1,0,1]=4 6779 B15R0.70 OCCCCCOCCCCCCCCBr 34a_100009813846_100000746330 [1,1,0,0,0,0|1,0,1]=4 6780 B15R0.70 OCCCCCOCCCCCCCCBr 7a_100009813846_100000746330 [1,1,0,0,0,0|1,0,1]=4 6781 B15R0.70 OCCCCCOCCCCCCCCCl 34a_100000033203_100000746330 [1,1,0,0,0,0|1,0,1]=4 6782 B15R0.70 OCCCCCOCCCCCCCCCl 7a_100000033203_100000746330 [1,1,0,0,0,0|1,0,1]=4 6783 B15R0.70 OCCCCOCCCCCCCCCBr 34a_100009813782_100011216708 [1,1,0,0,0,0|1,0,1]=4 6784 B15R0.70 OCCCCOCCCCCCCCCBr 7a_100009813782_100000210776 [1,1,0,0,0,0|1,0,1]=4 6785 B15R0.70 OCCCCOCCCCCCCCCCl 34a_100009868337_100011216708 [1,1,0,0,0,0|1,0,1]=4 6786 B15R0.70 OCCCCOCCCCCCCCCCl 7a_100009868337_100000210776 [1,1,0,0,0,0|1,0,1]=4 6787 B15R0.70 OCCCOCCCCCCCCCCBr 34a_100009813290_100000230001 [1,1,0,0,0,0|1,0,1]=4 6788 B15R0.70 OCCCOCCCCCCCCCCBr 7a_100009813290_100011215043 [1,1,0,0,0,0|1,0,1]=4 6789 B15R0.70 OCCCOCCCCCCCCCCCl 34a_200000033068_100000230001 [1,1,0,0,0,0|1,0,1]=4 6790 B15R0.70 OCCCOCCCCCCCCCCCl 7a_200000033068_100011215043 [1,1,0,0,0,0|1,0,1]=4 6791 B15R0.70 OCCOCCCCCCCCCCCBr 34a_100009812471_100000211926 [1,1,0,0,0,0|1,0,1]=4 6792 B15R0.70 OCCOCCCCCCCCCCCBr 7a_100009812471_100000211926 [1,1,0,0,0,0|1,0,1]=4 6793 B15R0.70 [13CH3]SCCCCCCCCCCCCCO 62a_100009812470_200025704644 [1,1,0,0,0,0|0,0,1]=3 6794 B15R0.81 C=CC(C)COCCCCCCCCCC 34a_100011215527_100000210320 [1,1,0,0,0,0|2,0,0]=4 6795 B15R0.81 C=CC(C)COCCCCCCCCCC 7a_100011215527_100000210320 [1,1,0,0,0,0|2,0,0]=4 6796 B15R0.81 C=CC(O)CNCCCCCCCCCC 2230a_100000684558_100000730141 [1,1,0,0,0,0|2,0,0]=4 6797 B15R0.81 C=CC(O)CNCCCCCCCCCC 34a_100000684558_100000730141 [1,1,0,0,0,0|2,0,0]=4 6798 B15R0.81 C=CC(O)COCCCCCCCCCC 34a_100000210711_100000730141 [1,1,0,0,0,0|2,0,0]=4 6799 B15R0.81 C=CC(O)COCCCCCCCCCC 7a_100000210711_100000730141 [1,1,0,0,0,0|2,0,0]=4 6800 B15R0.81 C=CC(O)CSCCCCCCCCCC 62a_100000730141_100000210320 [1,1,0,0,0,0|2,0,0]=4 6801 B15R0.81 C=CCCCCCCCCCCN(C)CC 2230a_100000225621_100011093070 [1,1,0,0,0,0|2,0,0]=4 6802 B15R0.81 C=CCCCCCCCCCCN(C)CC 269982a_100000225621_100011093070 [1,1,0,0,0,0|2,0,0]=4 6803 B15R0.81 C=CCCCCCCCCCNC(C)CC 2230a_100000081888_100000758301 [1,1,0,0,0,0|2,0,0]=4 6804 B15R0.81 C=CCCCCCCCCCNC(C)CC 2230a_100000209981_100009814027 [1,1,0,0,0,0|2,0,0]=4 6805 B15R0.81 C=CCCCCCCCCCNC(C)CC 34a_100000081888_100011215416 [1,1,0,0,0,0|2,0,0]=4 6806 B15R0.81 C=CCCCCCCCCNCC(C)CC 2230a_100020588543_100011933949 [1,1,0,0,0,0|2,0,0]=4 6807 B15R0.81 C=CCCCCCCCCNCC(O)CC 2230a_100011218483_100011933949 [1,1,0,0,0,0|2,0,0]=4 6808 B15R0.81 C=CCCCCCCCCOCC(C)CC 34a_100011215194_100000748023 [1,1,0,0,0,0|2,0,0]=4 6809 B15R0.81 C=CCCCCCCCCOCC(C)CC 7a_100011215194_100000748023 [1,1,0,0,0,0|2,0,0]=4 6810 B15R0.81 C=CCCCCCCCCOCC(O)CC 34a_100011215194_100011218378 [1,1,0,0,0,0|2,0,0]=4 6811 B15R0.81 C=CCCCCCCCCOCC(O)CC 7a_100011215194_100011218378 [1,1,0,0,0,0|2,0,0]=4 6812 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CC 34a_100011215194_100009816398 [1,1,0,0,0,0|2,0,0]=4 6813 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100011933949 [1,1,0,0,0,0|2,0,0]=4 6814 B15R0.81 C=CCCCCCCCCOC[C@@H](C)CC 7a_100011215194_100009816398 [1,1,0,0,0,0|2,0,0]=4 6815 B15R0.81 C=CCCCCCCCCSCC(O)CC 62a_100011218378_100011933949 [1,1,0,0,0,0|2,0,0]=4 6816 B15R0.81 C=CCCCCCCCCSCC(O)CC 62a_100011933949_100011218378 [1,1,0,0,0,0|2,0,0]=4 6817 B15R0.81 C=CCCCCCCCNCCC(C)CC 2230a_100020591266_100012355270 [1,1,0,0,0,0|2,0,0]=4 6818 B15R0.81 C=CCCCCCCCOCCC(C)CC 7a_100011215188_100012355270 [1,1,0,0,0,0|2,0,0]=4 6819 B15R0.81 C=CCCCCCCOCCCC(C)CC 7a_100011216074_100011215473 [1,1,0,0,0,0|2,0,0]=4 6820 B15R0.81 C=CCCCCOCCCCCC(C)CC 7a_200000035636_100011215482 [1,1,0,0,0,0|2,0,0]=4 6821 B15R0.81 C=C[C@H](N)COCCCCCCCCCC 34a_100016989147_100000210320 [1,1,0,0,0,0|2,0,0]=4 6822 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [1,1,0,0,0,0|0,0,2]=4 6823 B15R0.81 CCC(C)CCCCCOCCCCC=O 7a_200000035636_100000139335 [1,1,0,0,0,0|1,0,0]=3 6824 B15R0.81 CCC(C)CCCCCOCCCCCO 7a_200000035636_100000746330 [1,1,0,0,0,0|1,0,1]=4 6825 B15R0.81 CCC(C)CCCOCCCCCCCO 7a_100011216074_100000760002 [1,1,0,0,0,0|1,0,1]=4 6826 B15R0.81 CCC(C)CCNCCCCCCCCO 2230a_100020591266_100000033203 [1,1,0,0,0,0|1,0,1]=4 6827 B15R0.81 CCC(C)CCOCCCCCCCCO 7a_100011215188_100000033203 [1,1,0,0,0,0|1,0,1]=4 6828 B15R0.81 CCC(C)CNCCCCCCCCCO 2230a_100000078944_100000748023 [1,1,0,0,0,0|1,0,1]=4 6829 B15R0.81 CCC(C)CNCCCCCCCCCO 2230a_100020588543_100009813782 [1,1,0,0,0,0|1,0,1]=4 6830 B15R0.81 CCC(C)CNCCCCCCCCCO 270004a_100000078944_100000243153 [1,1,0,0,0,0|1,0,1]=4 6831 B15R0.81 CCC(C)CNCCCCCCCCCO 34a_100000078944_100000748023 [1,1,0,0,0,0|1,0,1]=4 6832 B15R0.81 CCC(C)CSCCCCCCCCCO 62a_100000748023_100009813782 [1,1,0,0,0,0|1,0,1]=4 6833 B15R0.81 CCC(C)CSCCCCCCCCCO 62a_100009813782_100000748023 [1,1,0,0,0,0|1,0,1]=4 6834 B15R0.81 CCC(C)NCCCCCCCCCCO 2230a_100000066964_100000758301 [1,1,0,0,0,0|1,0,1]=4 6835 B15R0.81 CCC(C)NCCCCCCCCCCO 2230a_100000209981_100009813290 [1,1,0,0,0,0|1,0,1]=4 6836 B15R0.81 CCC(C)NCCCCCCCCCCO 34a_100000066964_100011215416 [1,1,0,0,0,0|1,0,1]=4 6837 B15R0.81 CCC(C)OCCCCCCCCCCO 7a_100000210228_100009813290 [1,1,0,0,0,0|1,0,1]=4 6838 B15R0.81 CCC(C)SCCCCCCCCCCO 62a_100000758301_200000033068 [1,1,0,0,0,0|1,0,1]=4 6839 B15R0.81 CCC(C)SCCCCCCCCCCO 62a_100009813290_100000758301 [1,1,0,0,0,0|1,0,1]=4 6840 B15R0.81 CCC(O)CNCCCCCCCCCO 2230a_100000078944_100011218378 [1,1,0,0,0,0|1,0,1]=4 6841 B15R0.81 CCC(O)CNCCCCCCCCCO 2230a_100011218483_100009813782 [1,1,0,0,0,0|1,0,1]=4 6842 B15R0.81 CCC(O)CNCCCCCCCCCO 34a_100000078944_100011218378 [1,1,0,0,0,0|1,0,1]=4 6843 B15R0.81 CCC(O)CSCCCCCCCCCO 62a_100009813782_100011218378 [1,1,0,0,0,0|1,0,1]=4 6844 B15R0.81 CCC(O)CSCCCCCCCCCO 62a_100011218378_100009813782 [1,1,0,0,0,0|1,0,1]=4 6845 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [1,1,0,0,0,0|0,0,2]=4 6846 B15R0.81 CCCCCCCCCCCCC(C)NC 2230a_106832991635_200011217028 [1,1,0,0,0,0|2,0,0]=4 6847 B15R0.81 CCCCCCCCCCCCC(C)NC 270004a_106832991635_100011219199 [1,1,0,0,0,0|2,0,0]=4 6848 B15R0.81 CCCCCCCCCCCCC(C)NC 34a_100102657272_200011217028 [1,1,0,0,0,0|2,0,0]=4 6849 B15R0.81 CCCCCCCCCCCCC(C)NC 7a_106832991635_200011217028 [1,1,0,0,0,0|2,0,0]=4 6850 B15R0.81 CCCCCCCCCCCNC(C)CO 2230a_200011215754_100012180447 [1,1,0,0,0,0|1,0,1]=4 6851 B15R0.81 CCCCCCCCCCCNC(C)CO 34a_200011215754_100012180447 [1,1,0,0,0,0|1,0,1]=4 6852 B15R0.81 CCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215454 [1,1,0,0,0,0|1,0,1]=4 6853 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [1,1,0,0,0,0|1,0,1]=4 6854 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [1,1,0,0,0,0|1,0,1]=4 6855 B15R0.81 CCCCCCCCCCCSC(C)CO 62a_100012180447_100011215454 [1,1,0,0,0,0|1,0,1]=4 6856 B15R0.81 CCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011215454 [1,1,0,0,0,0|1,0,1]=4 6857 B15R0.81 CCCCCCCCCCNCC(C)CO 34a_100000744482_100000210320 [1,1,0,0,0,0|1,0,1]=4 6858 B15R0.81 CCCCCCCCCCNCC(O)CO 2230a_100000684558_100011219619 [1,1,0,0,0,0|1,0,1]=4 6859 B15R0.81 CCCCCCCCCCNCC(O)CO 34a_100000684558_100011219619 [1,1,0,0,0,0|1,0,1]=4 6860 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 2230a_100000684558_100000059175 [1,1,0,0,0,0|1,0,1]=4 6861 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 34a_100000684558_100000059175 [1,1,0,0,0,0|1,0,1]=4 6862 B15R0.81 CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210320 [1,1,0,0,0,0|1,0,1]=4 6863 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 2230a_100000684558_100009815848 [1,1,0,0,0,0|1,0,1]=4 6864 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 34a_100000684558_100009815848 [1,1,0,0,0,0|1,0,1]=4 6865 B15R0.81 CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210320 [1,1,0,0,0,0|1,0,1]=4 6866 B15R0.81 CCCCCCCCCCOCC(O)CO 34a_100000210711_100011219619 [1,1,0,0,0,0|1,0,1]=4 6867 B15R0.81 CCCCCCCCCCOCC(O)CO 7a_100000210711_100011219619 [1,1,0,0,0,0|1,0,1]=4 6868 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [1,1,0,0,0,0|1,0,1]=4 6869 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [1,1,0,0,0,0|1,0,1]=4 6870 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 34a_100000210711_100009815848 [1,1,0,0,0,0|1,0,1]=4 6871 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 7a_100000210711_100009815848 [1,1,0,0,0,0|1,0,1]=4 6872 B15R0.81 CCCCCCCCCCSCC(O)CO 62a_100011219619_100000210320 [1,1,0,0,0,0|1,0,1]=4 6873 B15R0.81 CCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210320 [1,1,0,0,0,0|1,0,1]=4 6874 B15R0.81 CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210320 [1,1,0,0,0,0|1,0,1]=4 6875 B15R0.81 CCCCCCCCCNCCC(C)CO 2230a_106354213184_100011214924 [1,1,0,0,0,0|1,0,1]=4 6876 B15R0.81 CCCCCCCCCNCCC(C)CO 34a_106354213184_100011214924 [1,1,0,0,0,0|1,0,1]=4 6877 B15R0.81 CCN(C)CCCCCCCCCCCO 2230a_100000225621_100009812471 [1,1,0,0,0,0|1,0,1]=4 6878 B15R0.81 CCN(C)CCCCCCCCCCCO 269982a_100000225621_100009812471 [1,1,0,0,0,0|1,0,1]=4 6879 B15R0.81 CC[C@H](C)CNCCCCCCCCCO 2230a_100000078944_100009816398 [1,1,0,0,0,0|1,0,1]=4 6880 B15R0.81 CC[C@H](C)CNCCCCCCCCCO 34a_100000078944_100009816398 [1,1,0,0,0,0|1,0,1]=4 6881 B15R0.81 CC[C@H](C)COCCCCCCCCCO 7a_100009816381_100009813782 [1,1,0,0,0,0|1,0,1]=4 6882 B15R0.81 CC[C@H](C)CSCCCCCCCCCO 62a_100009813782_100009816398 [1,1,0,0,0,0|1,0,1]=4 6883 B15R0.81 CC[C@H](C)CSCCCCCCCCCO 62a_100009816398_100009813782 [1,1,0,0,0,0|1,0,1]=4 6884 B15R0.133 C=CCCCCCN(C)CCCCCCC 2230a_100000228206_100000700193 [1,1,0,0,0,0|2,0,0]=4 6885 B15R0.133 C=CCCCCCN(C)CCCCCCC 269982a_100000228206_100000700193 [1,1,0,0,0,0|2,0,0]=4 6886 B15R0.133 C=CCCCCNC(C)CCCCCCC 2230a_100000703577_200011218727 [1,1,0,0,0,0|2,0,0]=4 6887 B15R0.133 C=CCCCCNC(C)CCCCCCC 270004a_100000703577_100000210596 [1,1,0,0,0,0|2,0,0]=4 6888 B15R0.133 C=CCCCCNC(C)CCCCCCC 34a_100000703577_200011218727 [1,1,0,0,0,0|2,0,0]=4 6889 B15R0.133 CCCCCCCC(=O)CCCCCCO 1458a_100000211969_100000766143 [1,1,0,0,0,0|0,0,2]=4 6890 B15R0.133 CCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210614 [1,1,0,0,0,0|0,0,2]=4 6891 B15R0.133 CCCCCCCC(C)NCCCCCO 2230a_100000762737_200011218727 [1,1,0,0,0,0|1,0,1]=4 6892 B15R0.133 CCCCCCCC(C)NCCCCCO 270004a_100000762737_100000210596 [1,1,0,0,0,0|1,0,1]=4 6893 B15R0.133 CCCCCCCC(C)NCCCCCO 34a_100000762737_200011218727 [1,1,0,0,0,0|1,0,1]=4 6894 B15R0.133 CCCCCCCC(C)OCCCCC=O 7a_200011215852_100000139335 [1,1,0,0,0,0|1,0,0]=3 6895 B15R0.133 CCCCCCCC(C)OCCCCCO 34a_200011215852_100000746330 [1,1,0,0,0,0|1,0,1]=4 6896 B15R0.133 CCCCCCCC(C)OCCCCCO 7a_200011215852_100000746330 [1,1,0,0,0,0|1,0,1]=4 6897 B15R0.133 CCCCCCCC(C)SCCCCC=O 62a_100000139335_200011218727 [1,1,0,0,0,0|1,0,0]=3 6898 B15R0.133 CCCCCCCC(C)SCCCCC=O 62a_200011218727_100000139335 [1,1,0,0,0,0|1,0,0]=3 6899 B15R0.133 CCCCCCCC(C)SCCCCCO 62a_100000746330_200011218727 [1,1,0,0,0,0|1,0,1]=4 6900 B15R0.133 CCCCCCCC(C)SCCCCCO 62a_200011218727_100000746330 [1,1,0,0,0,0|1,0,1]=4 6901 B15R0.133 CCCCCCCN(C)CCCCCC=O 2230a_100000228206_100000139337 [1,1,0,0,0,0|1,0,0]=3 6902 B15R0.133 CCCCCCCN(C)CCCCCC=O 269982a_100000228206_100000139337 [1,1,0,0,0,0|1,0,0]=3 6903 B15R0.133 CCCCCCCN(C)CCCCCCO 2230a_100000228206_100000766143 [1,1,0,0,0,0|1,0,1]=4 6904 B15R0.133 CCCCCCCN(C)CCCCCCO 269982a_100000228206_100000766143 [1,1,0,0,0,0|1,0,1]=4 6905 B15R0.149 C=CCCCCCCN(C)CCCCCC 2230a_106256046315_100011215473 [1,1,0,0,0,0|2,0,0]=4 6906 B15R0.149 C=CCCCCCCN(C)CCCCCC 269982a_106256046315_100011215473 [1,1,0,0,0,0|2,0,0]=4 6907 B15R0.149 C=CCCCCCNC(C)CCCCCC 2230a_100000210919_100000700193 [1,1,0,0,0,0|2,0,0]=4 6908 B15R0.149 C=CCCCCCNC(C)CCCCCC 34a_100000210919_100000700193 [1,1,0,0,0,0|2,0,0]=4 6909 B15R0.149 C=CCCCCN(C)CCCCCCCC 2230a_100000207567_100011215482 [1,1,0,0,0,0|2,0,0]=4 6910 B15R0.149 C=CCCCCN(C)CCCCCCCC 2230a_100012000471_100000210759 [1,1,0,0,0,0|2,0,0]=4 6911 B15R0.149 C=CCCCCN(C)CCCCCCCC 269982a_100000207567_100011215482 [1,1,0,0,0,0|2,0,0]=4 6912 B15R0.149 C=CCCCCN(C)CCCCCCCC 269982a_100012000471_100000210759 [1,1,0,0,0,0|2,0,0]=4 6913 B15R0.149 C=CCCCNC(C)CCCCCCCC 270004a_100000700776_100011216694 [1,1,0,0,0,0|2,0,0]=4 6914 B15R0.149 C=CCCCOCCC(C)CCCCCC 34a_200011024964_100000757094 [1,1,0,0,0,0|2,0,0]=4 6915 B15R0.149 C=CCCCOCCC(C)CCCCCC 7a_200011024964_100000757094 [1,1,0,0,0,0|2,0,0]=4 6916 B15R0.149 C=CCCNCC(C)CCCCCCCC 270004a_100015191253_100011995885 [1,1,0,0,0,0|2,0,0]=4 6917 B15R0.149 C=CCCOCC(C)CCCCCCCC 34a_200012125181_100000754431 [1,1,0,0,0,0|2,0,0]=4 6918 B15R0.149 C=CCCOCC(C)CCCCCCCC 7a_200012125181_100000754431 [1,1,0,0,0,0|2,0,0]=4 6919 B15R0.149 CCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210757 [1,1,0,0,0,0|0,0,2]=4 6920 B15R0.149 CCCCCCC(=O)CCCCCCCO 1458a_100102632555_100000760002 [1,1,0,0,0,0|0,0,2]=4 6921 B15R0.149 CCCCCCC(C)CCOCCCC=O 7a_200011024964_200011292268 [1,1,0,0,0,0|1,0,0]=3 6922 B15R0.149 CCCCCCC(C)CCOCCCCO 34a_200011024964_100011216708 [1,1,0,0,0,0|1,0,1]=4 6923 B15R0.149 CCCCCCC(C)CCOCCCCO 7a_200011024964_100000210776 [1,1,0,0,0,0|1,0,1]=4 6924 B15R0.149 CCCCCCC(C)NCCCCCC=O 2230a_100000210919_100000139337 [1,1,0,0,0,0|1,0,0]=3 6925 B15R0.149 CCCCCCC(C)NCCCCCCO 2230a_100000210919_100000766143 [1,1,0,0,0,0|1,0,1]=4 6926 B15R0.149 CCCCCCC(C)NCCCCCCO 2230a_100000686447_100011215978 [1,1,0,0,0,0|1,0,1]=4 6927 B15R0.149 CCCCCCC(C)NCCCCCCO 270004a_100000686447_100000210826 [1,1,0,0,0,0|1,0,1]=4 6928 B15R0.149 CCCCCCC(C)NCCCCCCO 34a_100000210919_100000766143 [1,1,0,0,0,0|1,0,1]=4 6929 B15R0.149 CCCCCCC(C)NCCCCCCO 34a_100000686447_100011215978 [1,1,0,0,0,0|1,0,1]=4 6930 B15R0.149 CCCCCCC(C)OCCCCCC=O 7a_100000210265_100000139337 [1,1,0,0,0,0|1,0,0]=3 6931 B15R0.149 CCCCCCC(C)OCCCCCCO 34a_100000210265_100000766143 [1,1,0,0,0,0|1,0,1]=4 6932 B15R0.149 CCCCCCC(C)OCCCCCCO 7a_100000210265_100000766143 [1,1,0,0,0,0|1,0,1]=4 6933 B15R0.149 CCCCCCC(C)SCCCCCC=O 62a_100000139337_100011215978 [1,1,0,0,0,0|1,0,0]=3 6934 B15R0.149 CCCCCCC(C)SCCCCCC=O 62a_100011215978_100000139337 [1,1,0,0,0,0|1,0,0]=3 6935 B15R0.149 CCCCCCC(C)SCCCCCCO 62a_100000766143_100011215978 [1,1,0,0,0,0|1,0,1]=4 6936 B15R0.149 CCCCCCC(C)SCCCCCCO 62a_100011215978_100000766143 [1,1,0,0,0,0|1,0,1]=4 6937 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100000210188_100000746330 [1,1,0,0,0,0|0,0,2]=4 6938 B15R0.149 CCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210759 [1,1,0,0,0,0|0,0,2]=4 6939 B15R0.149 CCCCCCCCC(C)CNCCCO 270004a_100000182051_100011995885 [1,1,0,0,0,0|1,0,1]=4 6940 B15R0.149 CCCCCCCCC(C)COCCCO 34a_200012125181_100000230001 [1,1,0,0,0,0|1,0,1]=4 6941 B15R0.149 CCCCCCCCC(C)COCCCO 7a_200012125181_100011215043 [1,1,0,0,0,0|1,0,1]=4 6942 B15R0.149 CCCCCCCCC(C)NCCCCO 270004a_100000750430_100011216694 [1,1,0,0,0,0|1,0,1]=4 6943 B15R0.149 CCCCCCCCC(C)OCCCC=O 7a_100000210740_200011292268 [1,1,0,0,0,0|1,0,0]=3 6944 B15R0.149 CCCCCCCCC(C)OCCCCO 34a_100000210740_100011216708 [1,1,0,0,0,0|1,0,1]=4 6945 B15R0.149 CCCCCCCCC(C)OCCCCO 7a_100000210740_100000210776 [1,1,0,0,0,0|1,0,1]=4 6946 B15R0.149 CCCCCCCCN(C)CCCCC=O 2230a_100000207567_100000139335 [1,1,0,0,0,0|1,0,0]=3 6947 B15R0.149 CCCCCCCCN(C)CCCCC=O 269982a_100000207567_100000139335 [1,1,0,0,0,0|1,0,0]=3 6948 B15R0.149 CCCCCCCCN(C)CCCCCO 2230a_100000207567_100000746330 [1,1,0,0,0,0|1,0,1]=4 6949 B15R0.149 CCCCCCCCN(C)CCCCCO 2230a_100000722520_100000210759 [1,1,0,0,0,0|1,0,1]=4 6950 B15R0.149 CCCCCCCCN(C)CCCCCO 269982a_100000207567_100000746330 [1,1,0,0,0,0|1,0,1]=4 6951 B15R0.149 CCCCCCCCN(C)CCCCCO 269982a_100000722520_100000210759 [1,1,0,0,0,0|1,0,1]=4 6952 B15R0.149 CCCCCCN(C)CCCCCCCO 2230a_106256046315_100000760002 [1,1,0,0,0,0|1,0,1]=4 6953 B15R0.149 CCCCCCN(C)CCCCCCCO 269982a_106256046315_100000760002 [1,1,0,0,0,0|1,0,1]=4 6954 B15R0.149 CCCCOCC(C)OCCCCCC=O 7a_100011217071_100000139337 [1,1,0,0,0,0|2,0,0]=4 6955 B15R0.322 C=CCCCCCCCN(C)CCCCC 2230a_100000223495_100012355270 [1,1,0,0,0,0|2,0,0]=4 6956 B15R0.322 C=CCCCCCCCN(C)CCCCC 269982a_100000223495_100012355270 [1,1,0,0,0,0|2,0,0]=4 6957 B15R0.322 C=CCCCCCCNC(C)CCCCC 2230a_100000211957_100011215473 [1,1,0,0,0,0|2,0,0]=4 6958 B15R0.322 C=CCCCN(C)CCCCCCCCC 2230a_100000232482_100011713584 [1,1,0,0,0,0|2,0,0]=4 6959 B15R0.322 C=CCCCN(C)CCCCCCCCC 269982a_100000232482_100000757094 [1,1,0,0,0,0|2,0,0]=4 6960 B15R0.322 C=CCCNC(C)CCCCCCCCC 270004a_100015191253_100011215753 [1,1,0,0,0,0|2,0,0]=4 6961 B15R0.322 C=CCNCC(C)CCCCCCCCC 270004a_100020586998_200011218516 [1,1,0,0,0,0|2,0,0]=4 6962 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [1,1,0,0,0,0|0,0,2]=4 6963 B15R0.322 CCCCCC(=O)CSCCCCCC=O 62a_100000139337_200012276598 [1,1,0,0,0,0|1,0,1]=4 6964 B15R0.322 CCCCCC(=O)CSCCCCCC=O 62a_200012276598_100000139337 [1,1,0,0,0,0|1,0,1]=4 6965 B15R0.322 CCCCCC(C)NCCCCCCCO 2230a_100000211957_100000760002 [1,1,0,0,0,0|1,0,1]=4 6966 B15R0.322 CCCCCC(C)NCCCCCCCO 2230a_100011996573_200011218191 [1,1,0,0,0,0|1,0,1]=4 6967 B15R0.322 CCCCCC(C)NCCCCCCCO 270004a_100011996573_100000211708 [1,1,0,0,0,0|1,0,1]=4 6968 B15R0.322 CCCCCC(C)NCCCCCCCO 34a_100011996573_200011218191 [1,1,0,0,0,0|1,0,1]=4 6969 B15R0.322 CCCCCC(C)OCCCCCCCO 34a_100011215632_100000760002 [1,1,0,0,0,0|1,0,1]=4 6970 B15R0.322 CCCCCC(C)OCCCCCCCO 7a_100011215632_100000760002 [1,1,0,0,0,0|1,0,1]=4 6971 B15R0.322 CCCCCC(C)SCCCCCCCO 62a_100000760002_200011218191 [1,1,0,0,0,0|1,0,1]=4 6972 B15R0.322 CCCCCC(C)SCCCCCCCO 62a_200011218191_100000760002 [1,1,0,0,0,0|1,0,1]=4 6973 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [1,1,0,0,0,0|0,0,2]=4 6974 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [1,1,0,0,0,0|0,0,2]=4 6975 B15R0.322 CCCCCCCCCC(C)CNCCO 270004a_100000210304_200011218516 [1,1,0,0,0,0|1,0,1]=4 6976 B15R0.322 CCCCCCCCCC(C)NCCCO 270004a_100000182051_100011215753 [1,1,0,0,0,0|1,0,1]=4 6977 B15R0.322 CCCCCCCCCC(C)OCCCO 34a_100011218016_100000230001 [1,1,0,0,0,0|1,0,1]=4 6978 B15R0.322 CCCCCCCCCC(C)OCCCO 7a_100011218016_100011215043 [1,1,0,0,0,0|1,0,1]=4 6979 B15R0.322 CCCCCCCCCN(C)CCCC=O 2230a_100000232482_200011292268 [1,1,0,0,0,0|1,0,0]=3 6980 B15R0.322 CCCCCCCCCN(C)CCCC=O 269982a_100000232482_200011292268 [1,1,0,0,0,0|1,0,0]=3 6981 B15R0.322 CCCCCCCCCN(C)CCCCO 2230a_100000232482_100000210776 [1,1,0,0,0,0|1,0,1]=4 6982 B15R0.322 CCCCCCCCCN(C)CCCCO 2230a_100000717598_100011214924 [1,1,0,0,0,0|1,0,1]=4 6983 B15R0.322 CCCCCCCCCN(C)CCCCO 269982a_100000232482_100000210776 [1,1,0,0,0,0|1,0,1]=4 6984 B15R0.322 CCCCCCCCCN(C)CCCCO 269982a_100000717598_100000210670 [1,1,0,0,0,0|1,0,1]=4 6985 B15R0.322 CCCCCN(C)CCCCCCCCO 2230a_100000223495_100000033203 [1,1,0,0,0,0|1,0,1]=4 6986 B15R0.322 CCCCCN(C)CCCCCCCCO 269982a_100000223495_100000033203 [1,1,0,0,0,0|1,0,1]=4 6987 B15R0.366 C=CCC(C)COCCCCCCCCC 34a_100009832082_100011214924 [1,1,0,0,0,0|2,0,0]=4 6988 B15R0.366 C=CCC(C)COCCCCCCCCC 7a_100009832082_100000210328 [1,1,0,0,0,0|2,0,0]=4 6989 B15R0.366 C=CCCCCCCCCCN(C)CCC 2230a_100000747261_100009814027 [1,1,0,0,0,0|2,0,0]=4 6990 B15R0.366 C=CCCCCCCCCCN(C)CCC 269982a_100000747261_100009814027 [1,1,0,0,0,0|2,0,0]=4 6991 B15R0.366 C=CCCCCCCCCNC(C)CCC 2230a_100000741246_100011933949 [1,1,0,0,0,0|2,0,0]=4 6992 B15R0.366 C=CCCCCCCCOCC(C)CCC 34a_100000688023_100012355270 [1,1,0,0,0,0|2,0,0]=4 6993 B15R0.366 C=CCCCCCCCOCC(C)CCC 34a_100000730831_100011216630 [1,1,0,0,0,0|2,0,0]=4 6994 B15R0.366 C=CCCCCCCCOCC(C)CCC 7a_100000688023_100012355270 [1,1,0,0,0,0|2,0,0]=4 6995 B15R0.366 C=CCCCCCCCOCC(C)CCC 7a_100000730831_100011216630 [1,1,0,0,0,0|2,0,0]=4 6996 B15R0.366 C=CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100012355270 [1,1,0,0,0,0|2,0,0]=4 6997 B15R0.366 C=CCCCCCCOCCC(C)CCC 34a_100011217855_100011215473 [1,1,0,0,0,0|2,0,0]=4 6998 B15R0.366 C=CCCCCCCOCCC(C)CCC 7a_100011217855_100011215473 [1,1,0,0,0,0|2,0,0]=4 6999 B15R0.366 C=CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215473 [1,1,0,0,0,0|2,0,0]=4 7000 B15R0.366 C=CCCCCCOCCCC(C)CCC 34a_100011713154_100000700193 [1,1,0,0,0,0|2,0,0]=4 7001 B15R0.366 C=CCCCCCOCCCC(C)CCC 7a_100011713154_100000700193 [1,1,0,0,0,0|2,0,0]=4 7002 B15R0.366 C=CCN(C)CCCCCCCCCCC 2230a_100000225617_100011215454 [1,1,0,0,0,0|2,0,0]=4 7003 B15R0.366 C=CCN(C)CCCCCCCCCCC 269982a_100000225617_100011215454 [1,1,0,0,0,0|2,0,0]=4 7004 B15R0.366 C=CC[C@@H](N)COCCCCCCCCC 34a_100020615467_100011214924 [1,1,0,0,0,0|2,0,0]=4 7005 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [1,1,0,0,0,0|0,0,2]=4 7006 B15R0.366 CCCC(C)CCCOCCCCCC=O 7a_100011713154_100000139337 [1,1,0,0,0,0|1,0,0]=3 7007 B15R0.366 CCCC(C)CCCOCCCCCCO 34a_100011713154_100000766143 [1,1,0,0,0,0|1,0,1]=4 7008 B15R0.366 CCCC(C)CCCOCCCCCCO 7a_100011713154_100000766143 [1,1,0,0,0,0|1,0,1]=4 7009 B15R0.366 CCCC(C)CCOCCCCCCCO 34a_100011217855_100000760002 [1,1,0,0,0,0|1,0,1]=4 7010 B15R0.366 CCCC(C)CCOCCCCCCCO 7a_100011217855_100000760002 [1,1,0,0,0,0|1,0,1]=4 7011 B15R0.366 CCCC(C)CNCCCCCCCCO 2230a_102515433106_100011216630 [1,1,0,0,0,0|1,0,1]=4 7012 B15R0.366 CCCC(C)CNCCCCCCCCO 270004a_102515433106_100000243154 [1,1,0,0,0,0|1,0,1]=4 7013 B15R0.366 CCCC(C)CNCCCCCCCCO 34a_102515433106_100011216630 [1,1,0,0,0,0|1,0,1]=4 7014 B15R0.366 CCCC(C)COCCCCCCCCO 34a_100000688023_100000033203 [1,1,0,0,0,0|1,0,1]=4 7015 B15R0.366 CCCC(C)COCCCCCCCCO 7a_100000688023_100000033203 [1,1,0,0,0,0|1,0,1]=4 7016 B15R0.366 CCCC(C)CSCCCCCCCCO 62a_100000033203_100011216630 [1,1,0,0,0,0|1,0,1]=4 7017 B15R0.366 CCCC(C)CSCCCCCCCCO 62a_100011216630_100000033203 [1,1,0,0,0,0|1,0,1]=4 7018 B15R0.366 CCCC(C)NCCCCCCCCCO 2230a_100000078944_100000766640 [1,1,0,0,0,0|1,0,1]=4 7019 B15R0.366 CCCC(C)NCCCCCCCCCO 2230a_100000741246_100009813782 [1,1,0,0,0,0|1,0,1]=4 7020 B15R0.366 CCCC(C)NCCCCCCCCCO 270004a_100000078944_100000211909 [1,1,0,0,0,0|1,0,1]=4 7021 B15R0.366 CCCC(C)NCCCCCCCCCO 34a_100000078944_100000766640 [1,1,0,0,0,0|1,0,1]=4 7022 B15R0.366 CCCC(C)OCCCCCCCCCO 34a_100000764384_100009813782 [1,1,0,0,0,0|1,0,1]=4 7023 B15R0.366 CCCC(C)OCCCCCCCCCO 7a_100000764384_100009813782 [1,1,0,0,0,0|1,0,1]=4 7024 B15R0.366 CCCC(C)SCCCCCCCCCO 62a_100000766640_100009813782 [1,1,0,0,0,0|1,0,1]=4 7025 B15R0.366 CCCC(C)SCCCCCCCCCO 62a_100009813782_100000766640 [1,1,0,0,0,0|1,0,1]=4 7026 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [1,1,0,0,0,0|0,0,2]=4 7027 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [1,1,0,0,0,0|0,0,2]=4 7028 B15R0.366 CCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215454 [1,1,0,0,0,0|1,0,1]=4 7029 B15R0.366 CCCCCCCCCCCN(C)CCO 269982a_100000210263_100011215454 [1,1,0,0,0,0|1,0,1]=4 7030 B15R0.366 CCCCCCCCCCNC(C)CCO 2230a_100000684558_100009893172 [1,1,0,0,0,0|1,0,1]=4 7031 B15R0.366 CCCCCCCCCCNC(C)CCO 34a_100000684558_100009893172 [1,1,0,0,0,0|1,0,1]=4 7032 B15R0.366 CCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210320 [1,1,0,0,0,0|1,0,1]=4 7033 B15R0.366 CCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210320 [1,1,0,0,0,0|1,0,1]=4 7034 B15R0.366 CCCCCCCCCCOC(C)CCO 34a_100000210711_100009893172 [1,1,0,0,0,0|1,0,1]=4 7035 B15R0.366 CCCCCCCCCCOC(C)CCO 7a_100000210711_100009893172 [1,1,0,0,0,0|1,0,1]=4 7036 B15R0.366 CCCCCCCCCCSC(C)CCO 62a_100009893172_100000210320 [1,1,0,0,0,0|1,0,1]=4 7037 B15R0.366 CCCN(C)CCCCCCCCCCO 2230a_100000747261_100009813290 [1,1,0,0,0,0|1,0,1]=4 7038 B15R0.366 CCCN(C)CCCCCCCCCCO 269982a_100000747261_100009813290 [1,1,0,0,0,0|1,0,1]=4 7039 B15R0.366 CCC[C@H](N)CCOCCCCCCCO 34a_100015193777_100000760002 [1,1,0,0,0,0|1,0,1]=4 7040 B15R0.366 CCC[C@H](N)COCCCCCCCCO 34a_100000732646_100000033203 [1,1,0,0,0,0|1,0,1]=4 7041 B15R0.2002 C=CCCC(C)NCCCCCCCCC 270004a_100000212291_100000762624 [1,1,0,0,0,0|2,0,0]=4 7042 B15R0.2002 C=CCCCCCCCCN(C)CCCC 2230a_100000207549_100011933949 [1,1,0,0,0,0|2,0,0]=4 7043 B15R0.2002 C=CCCCCCCCCN(C)CCCC 269982a_100000207549_100011933949 [1,1,0,0,0,0|2,0,0]=4 7044 B15R0.2002 C=CCCCCCCCNC(C)CCCC 2230a_100000126638_100012355270 [1,1,0,0,0,0|2,0,0]=4 7045 B15R0.2002 C=CCCCCCCOCC(C)CCCC 34a_100011995851_100011215473 [1,1,0,0,0,0|2,0,0]=4 7046 B15R0.2002 C=CCCCCCCOCC(C)CCCC 7a_100011995851_100011215473 [1,1,0,0,0,0|2,0,0]=4 7047 B15R0.2002 C=CCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215473 [1,1,0,0,0,0|2,0,0]=4 7048 B15R0.2002 C=CCCCOCCCCC(C)CCCC 34a_200011021034_100000757094 [1,1,0,0,0,0|2,0,0]=4 7049 B15R0.2002 C=CCCCOCCCCC(C)CCCC 7a_200011021034_100000757094 [1,1,0,0,0,0|2,0,0]=4 7050 B15R0.2002 C=CCCN(C)CCCCCCCCCC 2230a_100000207566_100000754431 [1,1,0,0,0,0|2,0,0]=4 7051 B15R0.2002 C=CCCN(C)CCCCCCCCCC 2230a_100020639649_100000210320 [1,1,0,0,0,0|2,0,0]=4 7052 B15R0.2002 C=CCCN(C)CCCCCCCCCC 269982a_100000207566_100000754431 [1,1,0,0,0,0|2,0,0]=4 7053 B15R0.2002 C=CCCN(C)CCCCCCCCCC 269982a_100020639649_100000210320 [1,1,0,0,0,0|2,0,0]=4 7054 B15R0.2002 C=CCNC(C)CCCCCCCCCC 270004a_100020586998_200011219864 [1,1,0,0,0,0|2,0,0]=4 7055 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [1,1,0,0,0,0|0,0,2]=4 7056 B15R0.2002 CCCCC(C)CCCCOCCCC=O 7a_200011021034_200011292268 [1,1,0,0,0,0|1,0,0]=3 7057 B15R0.2002 CCCCC(C)CCCCOCCCCO 34a_200011021034_100011216708 [1,1,0,0,0,0|1,0,1]=4 7058 B15R0.2002 CCCCC(C)CCCCOCCCCO 7a_200011021034_100000210776 [1,1,0,0,0,0|1,0,1]=4 7059 B15R0.2002 CCCCC(C)COCCCCCCCO 34a_100011995851_100000760002 [1,1,0,0,0,0|1,0,1]=4 7060 B15R0.2002 CCCCC(C)COCCCCCCCO 7a_100011995851_100000760002 [1,1,0,0,0,0|1,0,1]=4 7061 B15R0.2002 CCCCC(C)NCCCCCCCCO 2230a_100000126638_100000033203 [1,1,0,0,0,0|1,0,1]=4 7062 B15R0.2002 CCCCC(C)NCCCCCCCCO 2230a_102515433106_200011215066 [1,1,0,0,0,0|1,0,1]=4 7063 B15R0.2002 CCCCC(C)NCCCCCCCCO 270004a_102515433106_100000210087 [1,1,0,0,0,0|1,0,1]=4 7064 B15R0.2002 CCCCC(C)NCCCCCCCCO 34a_102515433106_200011215066 [1,1,0,0,0,0|1,0,1]=4 7065 B15R0.2002 CCCCC(C)OCCCCCCCCO 34a_100000687866_100000033203 [1,1,0,0,0,0|1,0,1]=4 7066 B15R0.2002 CCCCC(C)OCCCCCCCCO 7a_100000687866_100000033203 [1,1,0,0,0,0|1,0,1]=4 7067 B15R0.2002 CCCCC(C)SCCCCCCCCO 62a_100000033203_200011215066 [1,1,0,0,0,0|1,0,1]=4 7068 B15R0.2002 CCCCC(C)SCCCCCCCCO 62a_200011215066_100000033203 [1,1,0,0,0,0|1,0,1]=4 7069 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [1,1,0,0,0,0|0,0,2]=4 7070 B15R0.2002 CCCCCCCCCCC(C)NCCO 270004a_100000210304_200011219864 [1,1,0,0,0,0|1,0,1]=4 7071 B15R0.2002 CCCCCCCCCCC(C)OCC=O 34a_100011215000_200009817547 [1,1,0,0,0,0|1,0,0]=3 7072 B15R0.2002 CCCCCCCCCCC(C)OCC=O 7a_100011215000_200015260668 [1,1,0,0,0,0|1,0,0]=3 7073 B15R0.2002 CCCCCCCCCCC(C)OCCO 34a_100011215000_100000211926 [1,1,0,0,0,0|1,0,1]=4 7074 B15R0.2002 CCCCCCCCCCC(C)OCCO 7a_100011215000_100000211926 [1,1,0,0,0,0|1,0,1]=4 7075 B15R0.2002 CCCCCCCCCCN(C)CCCO 2230a_100000207566_100000230001 [1,1,0,0,0,0|1,0,1]=4 7076 B15R0.2002 CCCCCCCCCCN(C)CCCO 2230a_100000213112_100000210320 [1,1,0,0,0,0|1,0,1]=4 7077 B15R0.2002 CCCCCCCCCCN(C)CCCO 269982a_100000207566_100011215043 [1,1,0,0,0,0|1,0,1]=4 7078 B15R0.2002 CCCCCCCCCCN(C)CCCO 269982a_100000213112_100000210320 [1,1,0,0,0,0|1,0,1]=4 7079 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210759 [1,1,0,0,0,0|1,0,1]=4 7080 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210759 [1,1,0,0,0,0|1,0,1]=4 7081 B15R0.2002 CCCCN(C)CCCCCCCCCO 2230a_100000207549_100009813782 [1,1,0,0,0,0|1,0,1]=4 7082 B15R0.2002 CCCCN(C)CCCCCCCCCO 269982a_100000207549_100009813782 [1,1,0,0,0,0|1,0,1]=4 7083 B15R0.2002 CCCC[C@H](N)COCCCCCCCO 34a_100011934283_100000760002 [1,1,0,0,0,0|1,0,1]=4 7084 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [1,1,0,0,0,0|1,0,1]=4 7085 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [1,1,0,0,0,0|1,0,1]=4 7086 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [1,1,0,0,0,0|0,0,2]=4 7087 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [1,1,0,0,0,0|2,0,0]=4 7088 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [1,1,0,0,0,0|2,0,0]=4 7089 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [1,1,0,0,0,0|2,0,0]=4 7090 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [1,1,0,0,0,0|1,0,0]=3 7091 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [1,1,0,0,0,0|1,0,1]=4 7092 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [1,1,0,0,0,0|1,0,0]=3 7093 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [1,1,0,0,0,0|2,0,0]=4 7094 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [1,1,0,0,0,0|2,0,0]=4 7095 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [1,1,0,0,0,0|2,0,0]=4 7096 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [1,1,0,0,0,0|2,0,0]=4 7097 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [1,1,0,0,0,0|2,0,0]=4 7098 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [1,1,0,0,0,0|2,0,0]=4 7099 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [1,1,0,0,0,0|2,0,0]=4 7100 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [1,1,0,0,0,0|2,0,0]=4 7101 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [1,1,0,0,0,0|2,0,0]=4 7102 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [1,1,0,0,0,0|1,0,1]=4 7103 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [1,1,0,0,0,0|1,0,0]=3 7104 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [1,1,0,0,0,0|2,0,0]=4 7105 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [1,1,0,0,0,0|2,0,0]=4 7106 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [1,1,0,0,0,0|2,0,0]=4 7107 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [1,1,0,0,0,0|2,0,0]=4 7108 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [1,1,0,0,0,0|2,0,0]=4 7109 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [1,1,0,0,0,0|2,0,0]=4 7110 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [1,1,0,0,0,0|2,0,0]=4 7111 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [1,1,0,0,0,0|2,0,0]=4 7112 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [1,1,0,0,0,0|1,0,1]=4 7113 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [1,1,0,0,0,0|1,0,1]=4 7114 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [1,1,0,0,0,0|2,0,0]=4 7115 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [1,1,0,0,0,0|2,0,0]=4 7116 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [1,1,0,0,0,0|2,0,0]=4 7117 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [1,1,0,0,0,0|2,0,0]=4 7118 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [1,1,0,0,0,0|2,0,0]=4 7119 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [1,1,0,0,0,0|1,0,1]=4 7120 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [1,1,0,0,0,0|1,0,0]=3 7121 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [1,1,0,0,0,0|1,0,0]=3 7122 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [1,1,0,0,0,0|2,0,0]=4 7123 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [1,1,0,0,0,0|2,0,0]=4 7124 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [1,1,0,0,0,0|2,0,0]=4 7125 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [1,1,0,0,0,0|2,0,0]=4 7126 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [1,1,0,0,0,0|2,0,0]=4 7127 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [1,1,0,0,0,0|1,0,1]=4 7128 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [1,1,0,0,0,0|2,0,0]=4 7129 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [1,1,0,0,0,0|2,0,0]=4 7130 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [1,1,0,0,0,0|1,0,1]=4 7131 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [1,1,0,0,0,0|2,0,0]=4 7132 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [1,1,0,0,0,0|2,0,0]=4 7133 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [1,1,0,0,0,0|2,0,0]=4 7134 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [1,1,0,0,0,0|2,0,0]=4 7135 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [1,1,0,0,0,0|2,0,0]=4 7136 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [1,1,0,0,0,0|2,0,0]=4 7137 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [1,1,0,0,0,0|2,0,0]=4 7138 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [1,1,0,0,0,0|2,0,0]=4 7139 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [1,1,0,0,0,0|2,0,0]=4 7140 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [1,1,0,0,0,0|1,0,1]=4 7141 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [1,1,0,0,0,0|2,0,0]=4 7142 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [1,1,0,0,0,0|2,0,0]=4 7143 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [1,1,0,0,0,0|2,0,0]=4 7144 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [1,1,0,0,0,0|2,0,0]=4 7145 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [1,1,0,0,0,0|2,0,0]=4 7146 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [1,1,0,0,0,0|2,0,0]=4 7147 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [1,1,0,0,0,0|2,0,0]=4 7148 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [1,1,0,0,0,0|2,0,0]=4 7149 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [1,1,0,0,0,0|2,0,0]=4 7150 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [1,1,0,0,0,0|2,0,0]=4 7151 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [1,1,0,0,0,0|2,0,0]=4 7152 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [1,1,0,0,0,0|2,0,0]=4 7153 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [1,1,0,0,0,0|1,0,1]=4 7154 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [1,1,0,0,0,0|2,0,0]=4 7155 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [1,1,0,0,0,0|2,0,0]=4 7156 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [1,1,0,0,0,0|2,0,0]=4 7157 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [1,1,0,0,0,0|2,0,0]=4 7158 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [1,1,0,0,0,0|2,0,0]=4 7159 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [1,1,0,0,0,0|2,0,0]=4 7160 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [1,1,0,0,0,0|2,0,0]=4 7161 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [1,1,0,0,0,0|2,0,0]=4 7162 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [1,1,0,0,0,0|2,0,0]=4 7163 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [1,1,0,0,0,0|2,0,0]=4 7164 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [1,1,0,0,0,0|2,0,0]=4 7165 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [1,1,0,0,0,0|2,0,0]=4 7166 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [1,1,0,0,0,0|2,0,0]=4 7167 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [1,1,0,0,0,0|2,0,0]=4 7168 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [1,1,0,0,0,0|2,0,0]=4 7169 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [1,1,0,0,0,0|2,0,0]=4 7170 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [1,1,0,0,0,0|2,0,0]=4 7171 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [1,1,0,0,0,0|2,0,0]=4 7172 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [1,1,0,0,0,0|2,0,0]=4 7173 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [1,1,0,0,0,0|2,0,0]=4 7174 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [1,1,0,0,0,0|2,0,0]=4 7175 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [1,1,0,0,0,0|1,0,1]=4 7176 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [1,1,0,0,0,0|2,0,0]=4 7177 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [1,1,0,0,0,0|2,0,0]=4 7178 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [1,1,0,0,0,0|2,0,0]=4 7179 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [1,1,0,0,0,0|2,0,0]=4 7180 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [1,1,0,0,0,0|2,0,0]=4 7181 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [1,1,0,0,0,0|2,0,0]=4 7182 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [1,1,0,0,0,0|2,0,0]=4 7183 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [1,1,0,0,0,0|2,0,0]=4 7184 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [1,1,0,0,0,0|2,0,0]=4 7185 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [1,1,0,0,0,0|2,0,0]=4 7186 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [1,1,0,0,0,0|2,0,0]=4 7187 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [1,1,0,0,0,0|2,0,0]=4 7188 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [1,1,0,0,0,0|2,0,0]=4 7189 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [1,1,0,0,0,0|2,0,0]=4 7190 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [1,1,0,0,0,0|2,0,0]=4 7191 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [1,1,0,0,0,0|2,0,0]=4 7192 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [1,1,0,0,0,0|2,0,0]=4 7193 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [1,1,0,0,0,0|2,0,0]=4 7194 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [1,1,0,0,0,0|1,0,1]=4 7195 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [1,1,0,0,0,0|2,0,0]=4 7196 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [1,1,0,0,0,0|2,0,0]=4 7197 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [1,1,0,0,0,0|2,0,0]=4 7198 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [1,1,0,0,0,0|2,0,0]=4 7199 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [1,1,0,0,0,0|2,0,0]=4 7200 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [1,1,0,0,0,0|2,0,0]=4 7201 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [1,1,0,0,0,0|2,0,0]=4 7202 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [1,1,0,0,0,0|2,0,0]=4 7203 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [1,1,0,0,0,0|2,0,0]=4 7204 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [1,1,0,0,0,0|1,0,1]=4 7205 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [1,1,0,0,0,0|2,0,0]=4 7206 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [1,1,0,0,0,0|2,0,0]=4 7207 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [1,1,0,0,0,0|2,0,0]=4 7208 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [1,1,0,0,0,0|2,0,0]=4 7209 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [1,1,0,0,0,0|2,0,0]=4 7210 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [1,1,0,0,0,0|1,0,1]=4 7211 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [1,1,0,0,0,0|1,0,1]=4 7212 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [1,1,0,0,0,0|2,0,0]=4 7213 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [1,1,0,0,0,0|2,0,0]=4 7214 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [1,1,0,0,0,0|1,0,1]=4 7215 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [1,1,0,0,0,0|2,0,0]=4 7216 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [1,1,0,0,0,0|2,0,0]=4 7217 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [1,1,0,0,0,0|2,0,0]=4 7218 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [1,1,0,0,0,0|2,0,0]=4 7219 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [1,1,0,0,0,0|2,0,0]=4 7220 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [1,1,0,0,0,0|1,0,0]=3 7221 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [1,1,0,0,0,0|1,0,1]=4 7222 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [1,1,0,0,0,0|2,0,0]=4 7223 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [1,1,0,0,0,0|2,0,0]=4 7224 B17R0.170 CCCCC(C)CCCCOCCCCB(O)O 34a_200011021034_200009817182 [0,2,0,0,0,0|1,0,1]=4 7225 B17R0.170 CCCCC(C)CCCCOCCCCB(O)O 7a_200011021034_200009817182 [0,2,0,0,0,0|1,0,1]=4 7226 B17R0.170 CCCCC(C)CCCCOCCCCC(=O)C 34a_200011021034_100009817362 [0,2,0,0,0,0|1,0,0]=3 7227 B17R0.170 CCCCC(C)CCCCOCCCCC(=O)C 7a_200011021034_100000735457 [0,2,0,0,0,0|1,0,0]=3 7228 B17R0.170 CCCCC(C)CCCCOCCCOC(=O)C 34a_200011021034_100000042594 [0,2,0,0,0,0|2,0,0]=4 7229 B17R0.170 CCCCC(C)CCCCOCCCOC(=O)C 7a_200011021034_100000042594 [0,2,0,0,0,0|2,0,0]=4 7230 B17R0.170 CCCCC(C)CCCCOCCCSC(=O)C 34a_200011021034_100000038929 [0,2,0,0,0,0|2,0,0]=4 7231 B17R0.170 CCCCC(C)CCCCOCCCSC(=O)C 7a_200011021034_100000038929 [0,2,0,0,0,0|2,0,0]=4 7232 B17R0.170 CCCCC(C)CCCCOCCOCC(=O)N 34a_200011021034_100000076697 [0,2,0,0,0,0|2,0,0]=4 7233 B17R0.170 CCCCC(C)CCCCOCCOCC(=O)N 7a_200011021034_100000076697 [0,2,0,0,0,0|2,0,0]=4 7234 B17R0.3167 CCCC(=O)CCCCCCCCCC(=O)OC 1458a_100000211992_100009813843 [0,2,0,0,0,0|0,0,1]=3 7235 B17R0.3167 CCCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210303 [0,2,0,0,0,0|0,0,1]=3 7236 B17R0.3167 CCCC(=O)COCCCCCCCC(=O)OC 7a_100011022521_100000747444 [0,2,0,0,0,0|1,0,1]=4 7237 B17R0.3167 CCCC(=O)CSCCCCCCCC(=O)OC 62a_100000747444_100010004213 [0,2,0,0,0,0|1,0,1]=4 7238 B17R0.3167 CCCC(=O)CSCCCCCCCC(=O)OC 62a_100010004213_100000747444 [0,2,0,0,0,0|1,0,1]=4 7239 B17R0.3167 CCCC(C)CCCOCCCCCC(=O)OC 34a_100011713154_100009816466 [0,2,0,0,0,0|1,0,0]=3 7240 B17R0.3167 CCCC(C)CCCOCCCCCC(=O)OC 7a_100011713154_100009816466 [0,2,0,0,0,0|1,0,0]=3 7241 B17R0.3167 CCCC(C)CCOCCCCCCC(=O)OC 34a_100011217855_100009815986 [0,2,0,0,0,0|1,0,0]=3 7242 B17R0.3167 CCCC(C)CCOCCCCCCC(=O)OC 7a_100011217855_100009815986 [0,2,0,0,0,0|1,0,0]=3 7243 B17R0.3167 CCCC(C)COCCCCCCCC(=O)OC 34a_100000688023_100010004213 [0,2,0,0,0,0|1,0,0]=3 7244 B17R0.3167 CCCC(C)COCCCCCCCC(=O)OC 34a_100011022521_100011216630 [0,2,0,0,0,0|1,0,0]=3 7245 B17R0.3167 CCCC(C)COCCCCCCCC(=O)OC 7a_100000688023_100010004213 [0,2,0,0,0,0|1,0,0]=3 7246 B17R0.3167 CCCC(C)COCCCCCCCC(=O)OC 7a_100011022521_100011216630 [0,2,0,0,0,0|1,0,0]=3 7247 B17R0.3167 CCCC(C)CSCCCCCCCC(=O)OC 62a_100010004213_100011216630 [0,2,0,0,0,0|1,0,0]=3 7248 B17R0.3167 CCCC(C)CSCCCCCCCC(=O)OC 62a_100011216630_100010004213 [0,2,0,0,0,0|1,0,0]=3 7249 B17R0.3167 CCCC(C)NCCCCCCCCC(=O)OC 2230a_100000741246_100010282707 [0,2,0,0,0,0|1,0,0]=3 7250 B17R0.3167 CCCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_100000766640 [0,2,0,0,0,0|1,0,0]=3 7251 B17R0.3167 CCCC(C)OCCCCCCCCC(=O)OC 34a_100000764384_100010282707 [0,2,0,0,0,0|1,0,0]=3 7252 B17R0.3167 CCCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_100000766640 [0,2,0,0,0,0|1,0,0]=3 7253 B17R0.3167 CCCC(C)OCCCCCCCCC(=O)OC 7a_100000764384_100010282707 [0,2,0,0,0,0|1,0,0]=3 7254 B17R0.3167 CCCC(C)SCCCCCCCCC(=O)OC 62a_100000766640_100010282707 [0,2,0,0,0,0|1,0,0]=3 7255 B17R0.3167 CCCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_100000766640 [0,2,0,0,0,0|1,0,0]=3 7256 B17R0.3167 CCCN(C)CCCCCCCCCC(=O)OC 2230a_100000747261_100009813843 [0,2,0,0,0,0|1,0,0]=3 7257 B17R0.3167 CCCN(C)CCCCCCCCCC(=O)OC 269982a_100000747261_100009813843 [0,2,0,0,0,0|1,0,0]=3 7258 B17R0.3167 CCC[C@H](N)CCOCCCCCCC(=O)OC 34a_100015193777_100009815986 [0,2,0,0,0,0|1,0,0]=3 7259 B17R0.3167 CCC[C@H](N)COCCCCCCCC(=O)OC 34a_100000732646_100010004213 [0,2,0,0,0,0|1,0,0]=3 7260 B17R0.3167 CCNC(=O)CCCCCCCCCC(=O)OC 11a_100015525214_100009997464 [0,2,0,0,0,0|1,0,1]=4 7261 B17R0.3167 CCNC(=O)CCCCCCCCCC(=O)OC 240690a_100015525214_100009997464 [0,2,0,0,0,0|1,0,1]=4 7262 B17R0.3167 CCOC(=O)CCCCCCCCCC(=O)CO 1458a_100000210174_100009828014 [0,2,0,0,0,0|1,0,1]=4 7263 B17R0.3167 COC(=O)CCCCCCCCCC(=O)CCF 1458a_100009997464_100011217306 [0,2,0,0,0,0|1,0,1]=4 7264 B17R0.3167 COC(=O)CCCCCCCCCC(=O)CCO 1458a_100009997464_100000211926 [0,2,0,0,0,0|1,0,1]=4 7265 B17R0.3167 COC(=O)CCCCCCCCCC(=O)CCO 1458a_100011216618_100009813843 [0,2,0,0,0,0|1,0,1]=4 7266 B17R0.3167 COC(=O)CCCCCCCCCC(=O)CSC 1458a_100000184570_100009813843 [0,2,0,0,0,0|1,0,1]=4 7267 B17R0.3167 COC(=O)CCCCCCCCCN(C)CCO 2230a_100000210263_100009813843 [0,2,0,0,0,0|2,0,0]=4 7268 B17R0.3167 COC(=O)CCCCCCCCCN(C)CCO 269982a_100000210263_100009813843 [0,2,0,0,0,0|2,0,0]=4 7269 B17R0.3167 COC(=O)CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100010282707 [0,2,0,0,0,0|2,0,0]=4 7270 B17R0.3167 COC(=O)CCCCCCCCN[C@H](C)CCO 34a_100000706166_100010282707 [0,2,0,0,0,0|2,0,0]=4 7271 B17R0.3167 COC(=O)CCCCCCCCOC(C)CCBr 34a_100012276601_100010282707 [0,2,0,0,0,0|2,0,0]=4 7272 B17R0.3167 COC(=O)CCCCCCCCOC(C)CCO 34a_100000035544_100009893172 [0,2,0,0,0,0|2,0,0]=4 7273 B17R0.3167 COC(=O)CCCCCCCCOC(C)CCO 7a_100000035544_100009893172 [0,2,0,0,0,0|2,0,0]=4 7274 B17R0.3167 COC(=O)CCCCCCCCSC(C)CCO 62a_100009893172_100010282707 [0,2,0,0,0,0|2,0,0]=4 7275 B17R0.3167 COC(=O)CCCCCCCCSC(C)CCO 62a_100010282707_100009893172 [0,2,0,0,0,0|2,0,0]=4 7276 B17R0.3167 COC(=O)CCCCCCCOCC(C)CCN 34a_106354213184_100010004213 [0,2,0,0,0,0|2,0,0]=4 7277 B17R0.3167 COCC(=O)CCCCCCCCCC(=O)OC 1458a_100000210968_100009813843 [0,2,0,0,0,0|1,0,1]=4 7278 B17R0.3167 COCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_100000765312 [0,2,0,0,0,0|2,0,0]=4 7279 B17R0.3167 COCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_100000765312 [0,2,0,0,0,0|2,0,0]=4 7280 B17R0.3167 COCC(C)SCCCCCCCCC(=O)OC 62a_100000765312_100010282707 [0,2,0,0,0,0|2,0,0]=4 7281 B17R0.3167 COCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_100000765312 [0,2,0,0,0,0|2,0,0]=4 7282 B17R0.3167 COCC(N)COCCCCCCCC(=O)OC 34a_100000724102_100010004213 [0,2,0,0,0,0|2,0,0]=4 7283 B17R0.3167 COCC(O)CNCCCCCCCC(=O)OC 2230a_100000756049_100010004213 [0,2,0,0,0,0|2,0,0]=4 7284 B17R0.3167 COCC(O)CNCCCCCCCC(=O)OC 34a_100000756049_100010004213 [0,2,0,0,0,0|2,0,0]=4 7285 B17R0.3167 COCC(O)COCCCCCCCC(=O)OC 34a_100011022521_100011215053 [0,2,0,0,0,0|2,0,0]=4 7286 B17R0.3167 COCC(O)COCCCCCCCC(=O)OC 7a_100011022521_100011215053 [0,2,0,0,0,0|2,0,0]=4 7287 B17R0.3167 COCC(O)CSCCCCCCCC(=O)OC 62a_100010004213_100011215053 [0,2,0,0,0,0|2,0,0]=4 7288 B17R0.3167 COCC(O)CSCCCCCCCC(=O)OC 62a_100011215053_100010004213 [0,2,0,0,0,0|2,0,0]=4 7289 B17R0.3167 COC[C@@H](C)NCCCCCCCCC(=O)OC 2230a_100000764878_100010282707 [0,2,0,0,0,0|2,0,0]=4 7290 B17R0.3167 COC[C@@H](C)OCCCCCCCCC(=O)OC 34a_100011934205_100010282707 [0,2,0,0,0,0|2,0,0]=4 7291 B17R0.77 CCCCCCCC(=O)CCCCCC(=O)OC 1458a_100000211969_100009816466 [0,2,0,0,0,0|0,0,1]=3 7292 B17R0.77 CCCCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210614 [0,2,0,0,0,0|0,0,1]=3 7293 B17R0.77 CCCCCCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000211969 [0,2,0,0,0,0|1,0,1]=4 7294 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218727 [0,2,0,0,0,0|1,0,0]=3 7295 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 34a_200011215852_100000204269 [0,2,0,0,0,0|1,0,0]=3 7296 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218727 [0,2,0,0,0,0|1,0,0]=3 7297 B17R0.77 CCCCCCCC(C)OCCCCC(=O)OC 7a_200011215852_100000204269 [0,2,0,0,0,0|1,0,0]=3 7298 B17R0.77 CCCCCCCC(C)OCCOCC(=O)OC 34a_200011215852_100000090808 [0,2,0,0,0,0|2,0,0]=4 7299 B17R0.77 CCCCCCCC(C)OCCOCC(=O)OC 7a_200011215852_100000090808 [0,2,0,0,0,0|2,0,0]=4 7300 B17R0.77 CCCCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218727 [0,2,0,0,0,0|1,0,0]=3 7301 B17R0.77 CCCCCCCC(C)SCCCCC(=O)OC 62a_200011218727_100000204269 [0,2,0,0,0,0|1,0,0]=3 7302 B17R0.77 CCCCCCCC(C)SCCOCC(=O)OC 62a_100000090808_200011218727 [0,2,0,0,0,0|2,0,0]=4 7303 B17R0.77 CCCCCCCC(C)SCCOCC(=O)OC 62a_200011218727_100000090808 [0,2,0,0,0,0|2,0,0]=4 7304 B17R0.77 CCCCCCCN(C)CCCCCC(=O)OC 2230a_100000228206_100009816466 [0,2,0,0,0,0|1,0,0]=3 7305 B17R0.77 CCCCCCCN(C)CCCCCC(=O)OC 269982a_100000228206_100009816466 [0,2,0,0,0,0|1,0,0]=3 7306 B17R0.77 CCCCCCNC(=O)CCCCCC(=O)OC 11a_100000210581_100009848860 [0,2,0,0,0,0|1,0,1]=4 7307 B17R0.77 CCCCCCNC(=O)CCCCCC(=O)OC 1626a_100000210581_100009848860 [0,2,0,0,0,0|1,0,1]=4 7308 B17R0.77 CCCCCCNC(=O)CCCCCC(=O)OC 240690a_100000210581_100009848860 [0,2,0,0,0,0|1,0,1]=4 7309 B17R0.77 CCCCOCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000743108 [0,2,0,0,0,0|1,0,1]=4 7310 B17R0.77 COC(=O)CCCCCC(=O)CCCCCCF 1458a_100009848860_100015922095 [0,2,0,0,0,0|1,0,1]=4 7311 B17R0.77 COC(=O)CCCCCC(=O)CCCCCCO 1458a_100009848860_100000766143 [0,2,0,0,0,0|1,0,1]=4 7312 B17R0.77 COC(=O)CCCCCC(=O)CCCCCCO 1458a_100011996774_100009816466 [0,2,0,0,0,0|1,0,1]=4 7313 B17R0.77 COCCCCCC(=O)CCCCCC(=O)OC 1458a_100011935119_100009816466 [0,2,0,0,0,0|1,0,1]=4 7314 B17R0.101 CCCCCCCCC(=O)CCCCCB(O)O 1458a_100000210188_200009817188 [0,2,0,0,0,0|1,0,1]=4 7315 B17R0.101 CCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210188_100009817443 [0,2,0,0,0,0|1,0,0]=3 7316 B17R0.101 CCCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210759 [0,2,0,0,0,0|1,0,1]=4 7317 B17R0.101 CCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210188_100000033659 [0,2,0,0,0,0|1,0,1]=4 7318 B17R0.101 CCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210188_200010402107 [0,2,0,0,0,0|1,0,1]=4 7319 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 7320 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 7321 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 7322 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210188 [0,2,0,0,0,0|1,0,1]=4 7323 B17R0.101 CCCCCCCCC(C)CNCCCS(=O)C 270004a_200000753449_100011995885 [0,2,0,0,0,0|2,0,0]=4 7324 B17R0.101 CCCCCCCCC(C)COCCCC(=O)C 34a_200012125181_100000685027 [0,2,0,0,0,0|1,0,0]=3 7325 B17R0.101 CCCCCCCCC(C)COCCCC(=O)C 7a_200012125181_100011215641 [0,2,0,0,0,0|1,0,0]=3 7326 B17R0.101 CCCCCCCCC(C)COCCCC(=O)N 34a_200012125181_100102525003 [0,2,0,0,0,0|1,0,0]=3 7327 B17R0.101 CCCCCCCCC(C)COCCCC(=O)N 7a_200012125181_100102525003 [0,2,0,0,0,0|1,0,0]=3 7328 B17R0.101 CCCCCCCCC(C)COCCCC(C)O 34a_200012125181_200000718107 [0,2,0,0,0,0|1,0,1]=4 7329 B17R0.101 CCCCCCCCC(C)COCCCC(C)O 7a_200012125181_200000718107 [0,2,0,0,0,0|1,0,1]=4 7330 B17R0.101 CCCCCCCCC(C)COCCNC(=O)C 7a_200012125181_100000189650 [0,2,0,0,0,0|2,0,0]=4 7331 B17R0.101 CCCCCCCCC(C)COCCNC(=O)N 7a_200012125181_200000034859 [0,2,0,0,0,0|2,0,0]=4 7332 B17R0.101 CCCCCCCCC(C)COCCOC(=O)C 34a_200012125181_100009814007 [0,2,0,0,0,0|2,0,0]=4 7333 B17R0.101 CCCCCCCCC(C)COCCOC(=O)C 7a_200012125181_100009814007 [0,2,0,0,0,0|2,0,0]=4 7334 B17R0.101 CCCCCCCCC(C)COCCOC(=O)N 34a_200012125181_200011214921 [0,2,0,0,0,0|2,0,0]=4 7335 B17R0.101 CCCCCCCCC(C)COCCOC(=O)N 7a_200012125181_200011214921 [0,2,0,0,0,0|2,0,0]=4 7336 B17R0.101 CCCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011216694 [0,2,0,0,0,0|1,0,0]=3 7337 B17R0.101 CCCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100011216694 [0,2,0,0,0,0|2,0,0]=4 7338 B17R0.101 CCCCCCCCC(C)OCCCCB(O)O 34a_100000210740_200009817182 [0,2,0,0,0,0|1,0,1]=4 7339 B17R0.101 CCCCCCCCC(C)OCCCCB(O)O 7a_100000210740_200009817182 [0,2,0,0,0,0|1,0,1]=4 7340 B17R0.101 CCCCCCCCC(C)OCCCCC(=O)C 34a_100000210740_100009817362 [0,2,0,0,0,0|1,0,0]=3 7341 B17R0.101 CCCCCCCCC(C)OCCCCC(=O)C 7a_100000210740_100000735457 [0,2,0,0,0,0|1,0,0]=3 7342 B17R0.101 CCCCCCCCC(C)OCCCOC(=O)C 34a_100000210740_100000042594 [0,2,0,0,0,0|2,0,0]=4 7343 B17R0.101 CCCCCCCCC(C)OCCCOC(=O)C 7a_100000210740_100000042594 [0,2,0,0,0,0|2,0,0]=4 7344 B17R0.101 CCCCCCCCC(C)OCCCSC(=O)C 34a_100000210740_100000038929 [0,2,0,0,0,0|2,0,0]=4 7345 B17R0.101 CCCCCCCCC(C)OCCCSC(=O)C 7a_100000210740_100000038929 [0,2,0,0,0,0|2,0,0]=4 7346 B17R0.101 CCCCCCCCC(C)OCCOCC(=O)N 34a_100000210740_100000076697 [0,2,0,0,0,0|2,0,0]=4 7347 B17R0.101 CCCCCCCCC(C)OCCOCC(=O)N 7a_100000210740_100000076697 [0,2,0,0,0,0|2,0,0]=4 7348 B17R0.101 CCCCCCCCN(C)CCCCCB(O)O 2230a_100000207567_200009817188 [0,2,0,0,0,0|1,0,1]=4 7349 B17R0.101 CCCCCCCCN(C)CCCCCB(O)O 269982a_100000207567_200009817188 [0,2,0,0,0,0|1,0,1]=4 7350 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 2230a_100000207567_100009817443 [0,2,0,0,0,0|1,0,0]=3 7351 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 269982a_100000207567_100009817443 [0,2,0,0,0,0|1,0,0]=3 7352 B17R0.101 CCCCCCCCN(C)CCCCOC(=O)C 269982a_100000207567_100000033659 [0,2,0,0,0,0|2,0,0]=4 7353 B17R0.101 CCCCCCCCN(C)CCCCSC(=O)C 2230a_100000207567_200010402107 [0,2,0,0,0,0|2,0,0]=4 7354 B17R0.101 CCCCCCCCN(C)CCCCSC(=O)C 269982a_100000207567_200010402107 [0,2,0,0,0,0|2,0,0]=4 7355 B17R0.101 NC(=O)CCCCCC(=O)CCCCCCCO 1458a_100011219782_100009817443 [0,2,0,0,0,0|1,0,1]=4 7356 B17R0.232 CCCCCCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_200011218727 [0,2,0,0,0,0|1,0,1]=4 7357 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)C 1458a_200011667753_100011215641 [0,2,0,0,0,0|1,0,1]=4 7358 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)N 1458a_200011667753_100102525003 [0,2,0,0,0,0|1,0,1]=4 7359 B17R0.465 C=CC(CCCCCCC)OCCCCC(=O)C 34a_200011934235_100009817362 [0,2,0,0,0,0|2,0,0]=4 7360 B17R0.465 C=CC(CCCCCCC)OCCCCC(=O)C 7a_200011934235_100000735457 [0,2,0,0,0,0|2,0,0]=4 7361 B17R0.465 CCCCCCCC(CC)NCCCCC(=O)N 270004a_100000696515_200011217162 [0,2,0,0,0,0|2,0,0]=4 7362 B17R0.465 CCCCCCCC(CC)OCCCCC(=O)C 34a_200011217053_100009817362 [0,2,0,0,0,0|2,0,0]=4 7363 B17R0.465 CCCCCCCC(CC)OCCCCC(=O)C 7a_200011217053_100000735457 [0,2,0,0,0,0|2,0,0]=4 7364 B17R0.465 CCCCCCCN(CC)CCCCCC(=O)N 2230a_100000228213_100009817443 [0,2,0,0,0,0|2,0,0]=4 7365 B17R0.465 CCCCCCCN(CC)CCCCCC(=O)N 269982a_100000228213_100009817443 [0,2,0,0,0,0|2,0,0]=4 7366 B17R0.5455 CC(C)CCCCCC(=O)CCCCCC(=O)N 1458a_100000766313_100009817443 [0,2,0,0,0,0|1,0,1]=4 7367 B17R0.5891 CCCCCCCC(C)(C)NCCCCC(=O)N 34a_100000696515_200000046972 [0,2,0,0,0,0|2,0,0]=4 7368 B17R0.5891 CCCCCCCC(C)(C)NCCOCC(=O)O 269956a_100000700818_200000046972 [0,2,0,0,0,0|2,0,0]=4 7369 B17R0.5891 CCCCCCCC(C)(C)OCCCCC(=O)N 34a_100012022536_200000046972 [0,2,0,0,0,0|2,0,0]=4 7370 B17R0.5891 CCCCCCCC(C)(C)OCCCCC(=O)N 7a_100012022536_200000046972 [0,2,0,0,0,0|2,0,0]=4 7371 B17R0.8084 CCCCC(C)CCC(=O)CCCCCC(=O)N 1458a_100000033779_100009817443 [0,2,0,0,0,0|1,0,1]=4 7372 B17R0.14197 CCCCCCC(O)C(=O)CCCCCC(=O)N 1458a_100011215828_100009817443 [0,2,0,0,0,0|1,0,1]=4 7373 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_200011218191 [0,2,0,0,0,0|2,0,0]=4 7374 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211708 [0,2,0,0,0,0|2,0,0]=4 7375 B17R0.179 CCCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_200011218191 [0,2,0,0,0,0|2,0,0]=4 7376 B17R0.179 CCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211708 [0,2,0,0,0,0|2,0,0]=4 7377 B17R0.179 CCCCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_200011218191 [0,2,0,0,0,0|2,0,0]=4 7378 B17R0.238 CCCCC(CC)CCCCNCCCC(=O)N 34a_100000739312_200012094884 [0,2,0,0,0,0|2,0,0]=4 7379 B17R0.238 CCCCC(CC)CCCCOCCCC(=O)C 34a_100000759063_200012094884 [0,2,0,0,0,0|2,0,0]=4 7380 B17R0.238 CCCCC(CC)CCCCOCCCC(=O)C 7a_100000759063_200012094884 [0,2,0,0,0,0|2,0,0]=4 7381 B17R0.238 CCCCC(CC)CCCCSCCCC(=O)N 62a_100102525003_200012094884 [0,2,0,0,0,0|2,0,0]=4 7382 B17R0.238 CCCCC(CC)CCCCSCCCC(=O)N 62a_200012094884_100102525003 [0,2,0,0,0,0|2,0,0]=4 7383 B17R0.5801 CCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210211 [0,2,0,0,0,0|0,0,1]=3 7384 B17R0.5801 CCCCC(=O)CCCCCCCCC(=O)OC 1458a_100000210183_100010282707 [0,2,0,0,0,0|0,0,1]=3 7385 B17R0.5801 CCCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000210183 [0,2,0,0,0,0|1,0,1]=4 7386 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)NC 34a_200011021034_100000741757 [0,2,0,0,0,0|2,0,0]=4 7387 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)NC 7a_200011021034_100000741757 [0,2,0,0,0,0|2,0,0]=4 7388 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)OC 34a_200011021034_100000742333 [0,2,0,0,0,0|1,0,0]=3 7389 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)OC 7a_200011021034_100011218270 [0,2,0,0,0,0|1,0,0]=3 7390 B17R0.5801 CCCCC(C)COCCCCCCC(=O)OC 34a_100011995851_100009815986 [0,2,0,0,0,0|1,0,0]=3 7391 B17R0.5801 CCCCC(C)COCCCCCCC(=O)OC 7a_100011995851_100009815986 [0,2,0,0,0,0|1,0,0]=3 7392 B17R0.5801 CCCCC(C)NCCCCCCCC(=O)OC 2230a_100000126638_100010004213 [0,2,0,0,0,0|1,0,0]=3 7393 B17R0.5801 CCCCC(C)OCCCCCCCC(=O)OC 34a_100000687866_100010004213 [0,2,0,0,0,0|1,0,0]=3 7394 B17R0.5801 CCCCC(C)OCCCCCCCC(=O)OC 34a_100011022521_200011215066 [0,2,0,0,0,0|1,0,0]=3 7395 B17R0.5801 CCCCC(C)OCCCCCCCC(=O)OC 7a_100000687866_100010004213 [0,2,0,0,0,0|1,0,0]=3 7396 B17R0.5801 CCCCC(C)OCCCCCCCC(=O)OC 7a_100011022521_200011215066 [0,2,0,0,0,0|1,0,0]=3 7397 B17R0.5801 CCCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_200011215066 [0,2,0,0,0,0|1,0,0]=3 7398 B17R0.5801 CCCCC(C)SCCCCCCCC(=O)OC 62a_200011215066_100010004213 [0,2,0,0,0,0|1,0,0]=3 7399 B17R0.5801 CCCCN(C)CCCCCCCCC(=O)OC 2230a_100000207549_100010282707 [0,2,0,0,0,0|1,0,0]=3 7400 B17R0.5801 CCCCN(C)CCCCCCCCC(=O)OC 269982a_100000207549_100010282707 [0,2,0,0,0,0|1,0,0]=3 7401 B17R0.5801 CCCC[C@H](N)COCCCCCCC(=O)OC 34a_100011934283_100009815986 [0,2,0,0,0,0|1,0,0]=3 7402 B17R0.5801 CCCNC(=O)CCCCCCCCC(=O)OC 11a_100020643023_100000036616 [0,2,0,0,0,0|1,0,1]=4 7403 B17R0.5801 CCCNC(=O)CCCCCCCCC(=O)OC 1626a_100020643023_100000036616 [0,2,0,0,0,0|1,0,1]=4 7404 B17R0.5801 CCCNC(=O)CCCCCCCCC(=O)OC 240690a_100020643023_100000036616 [0,2,0,0,0,0|1,0,1]=4 7405 B17R0.5801 CCCOC(C)CNCCCCCCC(=O)OC 2230a_100015185124_100009815986 [0,2,0,0,0,0|2,0,0]=4 7406 B17R0.5801 CCCOC(C)CNCCCCCCC(=O)OC 34a_100015185124_100009815986 [0,2,0,0,0,0|2,0,0]=4 7407 B17R0.5801 CCOCC(=O)CCCCCCCCC(=O)OC 1458a_100000211967_100010282707 [0,2,0,0,0,0|1,0,1]=4 7408 B17R0.5801 CCOCC(C)OCCCCCCCC(=O)OC 34a_100000718985_100010004213 [0,2,0,0,0,0|2,0,0]=4 7409 B17R0.5801 CCOCC(C)OCCCCCCCC(=O)OC 7a_100000718985_100010004213 [0,2,0,0,0,0|2,0,0]=4 7410 B17R0.5801 CCOCC(O)CNCCCCCCC(=O)OC 2230a_102515437182_100009815986 [0,2,0,0,0,0|2,0,0]=4 7411 B17R0.5801 CCOCC(O)CNCCCCCCC(=O)OC 34a_102515437182_100009815986 [0,2,0,0,0,0|2,0,0]=4 7412 B17R0.5801 CCSCC(=O)CCCCCCCCC(=O)OC 1458a_100000230394_100010282707 [0,2,0,0,0,0|1,0,1]=4 7413 B17R0.5801 COC(=O)CCCCCCCCC(=O)CCCF 1458a_100000036616_100011934791 [0,2,0,0,0,0|1,0,1]=4 7414 B17R0.5801 COC(=O)CCCCCCCCC(=O)CCCO 1458a_100000036616_100011215043 [0,2,0,0,0,0|1,0,1]=4 7415 B17R0.5801 COC(=O)CCCCCCCCC(=O)CCSC 1458a_100000036616_100000751147 [0,2,0,0,0,0|1,0,1]=4 7416 B17R0.5801 COC(=O)CCCCCCCCC(=O)CCSC 1458a_100000174002_100010282707 [0,2,0,0,0,0|1,0,1]=4 7417 B17R0.5801 COC(=O)CCCCCCCCN(C)CCCO 2230a_100000213112_100010282707 [0,2,0,0,0,0|2,0,0]=4 7418 B17R0.5801 COC(=O)CCCCCCCCN(C)CCCO 269982a_100000213112_100010282707 [0,2,0,0,0,0|2,0,0]=4 7419 B17R0.5801 COC(=O)CCCCCCCCN(C)CCSC 2230a_100000686725_100010282707 [0,2,0,0,0,0|2,0,0]=4 7420 B17R0.5801 COC(=O)CCCCCCCCN(C)CCSC 269982a_100000686725_100010282707 [0,2,0,0,0,0|2,0,0]=4 7421 B17R0.5801 COC(=O)CCCCCCCOC(C)CCCCl 34a_200000718107_100010004213 [0,2,0,0,0,0|2,0,0]=4 7422 B17R0.5801 COC(=O)CCCCCCCOC(C)CCCCl 7a_200000718107_100010004213 [0,2,0,0,0,0|2,0,0]=4 7423 B17R0.5801 COC(=O)CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100009815986 [0,2,0,0,0,0|2,0,0]=4 7424 B17R0.5801 COC(=O)CCCCCCNC[C@H](C)CCCO 34a_100160569302_100009815986 [0,2,0,0,0,0|2,0,0]=4 7425 B17R0.5801 COC(=O)CCCCCCOC[C@@H](N)CCSC 34a_100011827619_100009815986 [0,2,0,0,0,0|2,0,0]=4 7426 B17R0.5801 COCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000233755 [0,2,0,0,0,0|1,0,1]=4 7427 B17R0.5801 COCCC(=O)CCCCCCCCC(=O)OC 1458a_100000749529_100010282707 [0,2,0,0,0,0|1,0,1]=4 7428 B17R0.5801 COCCN(C)CCCCCCCCC(=O)OC 2230a_100000743101_100010282707 [0,2,0,0,0,0|2,0,0]=4 7429 B17R0.5801 COCCN(C)CCCCCCCCC(=O)OC 269982a_100000743101_100010282707 [0,2,0,0,0,0|2,0,0]=4 7430 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000211992_200010167045 [0,2,0,0,0,0|1,0,0]=3 7431 B17R0.256 CCCC(C)CCCOCCCCCCB(O)O 34a_100011713154_100009817187 [0,2,0,0,0,0|1,0,1]=4 7432 B17R0.256 CCCC(C)CCCOCCCCCCB(O)O 7a_100011713154_100009817187 [0,2,0,0,0,0|1,0,1]=4 7433 B17R0.256 CCCC(C)CCCOCCCCCOC(=O)C 34a_100011713154_100000033007 [0,2,0,0,0,0|2,0,0]=4 7434 B17R0.256 CCCC(C)CCCOCCCCCOC(=O)C 7a_100011713154_100000033007 [0,2,0,0,0,0|2,0,0]=4 7435 B17R0.256 CCCN(C)CCCCCCCCCCC(=O)N 2230a_100000747261_200010167045 [0,2,0,0,0,0|1,0,0]=3 7436 B17R0.256 CCCN(C)CCCCCCCCCCC(=O)N 269982a_100000747261_200010167045 [0,2,0,0,0,0|1,0,0]=3 7437 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009827693 [0,2,0,0,0,0|1,0,1]=4 7438 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_200020656980_200000210301 [0,2,0,0,0,0|1,0,1]=4 7439 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_200020656980_200025704644 [0,2,0,0,0,0|1,0,1]=4 7440 B17R0.256 CCOC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010175975 [0,2,0,0,0,0|1,0,1]=4 7441 B17R0.256 CN(CCO)CCCCCCCCCCC(=O)N 2230a_100000210263_200010167045 [0,2,0,0,0,0|2,0,0]=4 7442 B17R0.256 CN(CCO)CCCCCCCCCCC(=O)N 269982a_100000210263_200010167045 [0,2,0,0,0,0|2,0,0]=4 7443 B17R0.256 COCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210968_200010167045 [0,2,0,0,0,0|1,0,1]=4 7444 B17R0.256 CSCC(=O)CCCCCCCCCCC(=O)N 1458a_100000184570_200010167045 [0,2,0,0,0,0|1,0,1]=4 7445 B17R0.256 NC(=O)CCCCCCCCCCC(=O)CCO 1458a_100011216618_200010167045 [0,2,0,0,0,0|1,0,1]=4 7446 B17R0.1705 CC(C)C(=O)CCCCCCCCCCC(=O)N 1458a_100000210198_200010167045 [0,2,0,0,0,0|1,0,1]=4 7447 B17R0.1705 CC(C)N(C)CCCCCCCCCCC(=O)N 269982a_200000211004_200010167045 [0,2,0,0,0,0|2,0,0]=4 7448 B17R0.1705 CC(F)C(=O)CCCCCCCCCCC(=O)N 1458a_100000062450_200010167045 [0,2,0,0,0,0|1,0,1]=4 7449 B17R0.1705 C[C@@H](O)C(=O)CCCCCCCCCCC(=O)N 1458a_100000717761_200010167045 [0,2,0,0,0,0|1,0,1]=4 7450 B17R0.1705 C[C@H](O)C(=O)CCCCCCCCCCC(=O)N 1458a_217856618621_200010167045 [0,2,0,0,0,0|1,0,1]=4 7451 B17R0.3273 CCN(CC)CCCCCCCCCCC(=O)N 2230a_100000724800_200010167045 [0,2,0,0,0,0|2,0,0]=4 7452 B17R0.3273 CCN(CC)CCCCCCCCCCC(=O)N 269956a_100000042499_200010167045 [0,2,0,0,0,0|2,0,0]=4 7453 B17R0.3273 CCN(CC)CCCCCCCCCCC(=O)N 269982a_100000724800_200010167045 [0,2,0,0,0,0|2,0,0]=4 7454 B17R0.11645 CCC(=O)CCCCCCCCCCC(=O)OC 1458a_100000210414_100009812566 [0,2,0,0,0,0|0,0,1]=3 7455 B17R0.11645 CCC(=O)CCCCCCCCCCC(=O)OC 1458a_100016987261_100000210202 [0,2,0,0,0,0|0,0,1]=3 7456 B17R0.11645 CCC(=O)COCCCCCCCCC(=O)OC 34a_100000725409_100010282707 [0,2,0,0,0,0|1,0,1]=4 7457 B17R0.11645 CCC(=O)COCCCCCCCCC(=O)OC 7a_100000035544_100000747405 [0,2,0,0,0,0|1,0,1]=4 7458 B17R0.11645 CCC(=O)CSCCCCCCCCC(=O)OC 62a_100000747405_100010282707 [0,2,0,0,0,0|1,0,1]=4 7459 B17R0.11645 CCC(=O)CSCCCCCCCCC(=O)OC 62a_100010282707_100000747405 [0,2,0,0,0,0|1,0,1]=4 7460 B17R0.11645 CCC(C)CCCCCOCCCCC(=O)OC 7a_200000035636_100000204269 [0,2,0,0,0,0|1,0,0]=3 7461 B17R0.11645 CCC(C)CCCCCOCCOCC(=O)OC 7a_200000035636_100000090808 [0,2,0,0,0,0|2,0,0]=4 7462 B17R0.11645 CCC(C)CCCOCCCCCCC(=O)OC 7a_100011216074_100009815986 [0,2,0,0,0,0|1,0,0]=3 7463 B17R0.11645 CCC(C)CCNCCCCCCCC(=O)OC 2230a_100020591266_100010004213 [0,2,0,0,0,0|1,0,0]=3 7464 B17R0.11645 CCC(C)CCOCCCCCCCC(=O)OC 7a_100011215188_100010004213 [0,2,0,0,0,0|1,0,0]=3 7465 B17R0.11645 CCC(C)CNCCCCCCCCC(=O)OC 2230a_100020588543_100010282707 [0,2,0,0,0,0|1,0,0]=3 7466 B17R0.11645 CCC(C)COCCCCCCCCC(=O)OC 34a_100000035544_100000748023 [0,2,0,0,0,0|1,0,0]=3 7467 B17R0.11645 CCC(C)COCCCCCCCCC(=O)OC 7a_100000035544_100000748023 [0,2,0,0,0,0|1,0,0]=3 7468 B17R0.11645 CCC(C)CSCCCCCCCCC(=O)OC 62a_100000748023_100010282707 [0,2,0,0,0,0|1,0,0]=3 7469 B17R0.11645 CCC(C)CSCCCCCCCCC(=O)OC 62a_100010282707_100000748023 [0,2,0,0,0,0|1,0,0]=3 7470 B17R0.11645 CCC(C)NCCCCCCCCCC(=O)OC 2230a_100000209981_100009813843 [0,2,0,0,0,0|1,0,0]=3 7471 B17R0.11645 CCC(C)OCCCCCCCCCC(=O)OC 7a_100000210228_100009813843 [0,2,0,0,0,0|1,0,0]=3 7472 B17R0.11645 CCC(C)SCCCCCCCCCC(=O)OC 62a_100000758301_100009813843 [0,2,0,0,0,0|1,0,0]=3 7473 B17R0.11645 CCC(O)CNCCCCCCCCC(=O)OC 2230a_100011218483_100010282707 [0,2,0,0,0,0|1,0,0]=3 7474 B17R0.11645 CCC(O)COCCCCCCCCC(=O)OC 34a_100000035544_100011218378 [0,2,0,0,0,0|1,0,0]=3 7475 B17R0.11645 CCC(O)COCCCCCCCCC(=O)OC 7a_100000035544_100011218378 [0,2,0,0,0,0|1,0,0]=3 7476 B17R0.11645 CCC(O)CSCCCCCCCCC(=O)OC 62a_100010282707_100011218378 [0,2,0,0,0,0|1,0,0]=3 7477 B17R0.11645 CCC(O)CSCCCCCCCCC(=O)OC 62a_100011218378_100010282707 [0,2,0,0,0,0|1,0,0]=3 7478 B17R0.11645 CCN(C)CCCCCCCCCCC(=O)OC 2230a_100000225621_100009812566 [0,2,0,0,0,0|1,0,0]=3 7479 B17R0.11645 CCN(C)CCCCCCCCCCC(=O)OC 269982a_100000225621_100009812566 [0,2,0,0,0,0|1,0,0]=3 7480 B17R0.11645 CCN(C)CCCOCCCCCCC(=O)OC 7a_100009863599_100015186262 [0,2,0,0,0,0|2,0,0]=4 7481 B17R0.11645 CCN(C)CCCSCCCCCCC(=O)OC 62a_100009815986_100015186262 [0,2,0,0,0,0|2,0,0]=4 7482 B17R0.11645 CC[C@H](C)COCCCCCCCCC(=O)OC 34a_100000035544_100009816398 [0,2,0,0,0,0|1,0,0]=3 7483 B17R0.11645 CC[C@H](C)COCCCCCCCCC(=O)OC 7a_100000035544_100009816398 [0,2,0,0,0,0|1,0,0]=3 7484 B17R0.11645 CC[C@H](C)COCCCCCCCCC(=O)OC 7a_100009816381_100010282707 [0,2,0,0,0,0|1,0,0]=3 7485 B17R0.11645 CC[C@H](C)CSCCCCCCCCC(=O)OC 62a_100009816398_100010282707 [0,2,0,0,0,0|1,0,0]=3 7486 B17R0.11645 CC[C@H](C)CSCCCCCCCCC(=O)OC 62a_100010282707_100009816398 [0,2,0,0,0,0|1,0,0]=3 7487 B17R0.11645 CNC(=O)CCCCCCCCCCC(=O)OC 11a_106832991635_100016987261 [0,2,0,0,0,0|1,0,1]=4 7488 B17R0.11645 CNC(=O)CCCCCCCCCCC(=O)OC 1626a_100102657272_100016987261 [0,2,0,0,0,0|1,0,1]=4 7489 B17R0.11645 CNC(=O)CCCCCCCCCCC(=O)OC 240690a_100102657272_100016987261 [0,2,0,0,0,0|1,0,1]=4 7490 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)CF 1458a_100016987261_100015361967 [0,2,0,0,0,0|1,0,1]=4 7491 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_100009812566 [0,2,0,0,0,0|1,0,1]=4 7492 B17R0.11645 COC(=O)CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100009813843 [0,2,0,0,0,0|2,0,0]=4 7493 B17R0.11645 COC(=O)CCCCCCCCCOC(C)CF 34a_100016041109_100009813843 [0,2,0,0,0,0|2,0,0]=4 7494 B17R0.11645 COC(=O)CCCCCCCCCOC(C)CF 7a_100016041109_100009813843 [0,2,0,0,0,0|2,0,0]=4 7495 B17R0.11645 COC(=O)CCCCCCCCCOC(C)CN 34a_100000210904_100009813843 [0,2,0,0,0,0|2,0,0]=4 7496 B17R0.11645 COC(=O)CCCCCCCCCSC(C)CO 62a_100012180447_100009813843 [0,2,0,0,0,0|2,0,0]=4 7497 B17R0.11645 COC(=O)CCCCCCCCCSC(C)OC 62a_100009879195_100009813843 [0,2,0,0,0,0|2,0,0]=4 7498 B17R0.11645 COC(=O)CCCCCCCCCS[C@H](C)CO 62a_100016084084_100009813843 [0,2,0,0,0,0|2,0,0]=4 7499 B17R0.11645 COC(=O)CCCCCCCCNCC(C)CO 34a_100000744482_100010282707 [0,2,0,0,0,0|2,0,0]=4 7500 B17R0.11645 COC(=O)CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100010282707 [0,2,0,0,0,0|2,0,0]=4 7501 B17R0.11645 COC(=O)CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100010282707 [0,2,0,0,0,0|2,0,0]=4 7502 B17R0.11645 COC(=O)CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100010282707 [0,2,0,0,0,0|2,0,0]=4 7503 B17R0.11645 COC(=O)CCCCCCCCOCC(C)CN 34a_100000744482_100010282707 [0,2,0,0,0,0|2,0,0]=4 7504 B17R0.11645 COC(=O)CCCCCCCCOCC(C)OC 34a_100000690652_100010282707 [0,2,0,0,0,0|2,0,0]=4 7505 B17R0.11645 COC(=O)CCCCCCCCOCC(Cl)CCl 34a_100000033668_100010282707 [0,2,0,0,0,0|2,0,0]=4 7506 B17R0.11645 COC(=O)CCCCCCCCOCC(O)CO 34a_100000035544_100011219619 [0,2,0,0,0,0|2,0,0]=4 7507 B17R0.11645 COC(=O)CCCCCCCCOCC(O)CO 7a_100000035544_100011219619 [0,2,0,0,0,0|2,0,0]=4 7508 B17R0.11645 COC(=O)CCCCCCCCOC[C@@H](C)CO 34a_100000035544_100000059175 [0,2,0,0,0,0|2,0,0]=4 7509 B17R0.11645 COC(=O)CCCCCCCCOC[C@@H](C)CO 7a_100000035544_100000059175 [0,2,0,0,0,0|2,0,0]=4 7510 B17R0.11645 COC(=O)CCCCCCCCOC[C@@H](O)CF 34a_100000035544_100015614560 [0,2,0,0,0,0|2,0,0]=4 7511 B17R0.11645 COC(=O)CCCCCCCCOC[C@@H](O)CF 7a_100000035544_100015614560 [0,2,0,0,0,0|2,0,0]=4 7512 B17R0.11645 COC(=O)CCCCCCCCOC[C@@H](O)CO 34a_100000035544_100009815848 [0,2,0,0,0,0|2,0,0]=4 7513 B17R0.11645 COC(=O)CCCCCCCCOC[C@@H](O)CO 7a_100000035544_100009815848 [0,2,0,0,0,0|2,0,0]=4 7514 B17R0.11645 COC(=O)CCCCCCCCOC[C@H](F)CN 34a_100015665980_100010282707 [0,2,0,0,0,0|2,0,0]=4 7515 B17R0.11645 COC(=O)CCCCCCCCSCC(O)CO 62a_100010282707_100011219619 [0,2,0,0,0,0|2,0,0]=4 7516 B17R0.11645 COC(=O)CCCCCCCCSCC(O)CO 62a_100011219619_100010282707 [0,2,0,0,0,0|2,0,0]=4 7517 B17R0.11645 COC(=O)CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100010282707 [0,2,0,0,0,0|2,0,0]=4 7518 B17R0.11645 COC(=O)CCCCCCCCSC[C@@H](C)CO 62a_100010282707_100000059175 [0,2,0,0,0,0|2,0,0]=4 7519 B17R0.11645 COC(=O)CCCCCCCCSC[C@@H](O)CF 62a_100010282707_100015614560 [0,2,0,0,0,0|2,0,0]=4 7520 B17R0.11645 COC(=O)CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100010282707 [0,2,0,0,0,0|2,0,0]=4 7521 B17R0.11645 COC(=O)CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100010282707 [0,2,0,0,0,0|2,0,0]=4 7522 B17R0.11645 COC(=O)CCCCCCCCSC[C@@H](O)CO 62a_100010282707_100009815848 [0,2,0,0,0,0|2,0,0]=4 7523 B17R0.11645 COC(=O)CCCCCCCNCCC(C)CO 2230a_106354213184_100010004213 [0,2,0,0,0,0|2,0,0]=4 7524 B17R0.11645 COC(=O)CCCCCCCNCCC(C)CO 34a_106354213184_100010004213 [0,2,0,0,0,0|2,0,0]=4 7525 B17R0.11645 COC(=O)CCCCCCCOCCC(C)OC 7a_100000764861_100010004213 [0,2,0,0,0,0|2,0,0]=4 7526 B17R0.11645 COC(=O)CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100009815986 [0,2,0,0,0,0|2,0,0]=4 7527 B17R0.78 CCCCCCCC(=O)CCCCCCB(O)O 1458a_100000211969_100009817187 [0,2,0,0,0,0|1,0,1]=4 7528 B17R0.78 CCCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210614 [0,2,0,0,0,0|1,0,1]=4 7529 B17R0.78 CCCCCCCC(=O)CCCCCOC(=O)C 1458a_100000211969_100000033007 [0,2,0,0,0,0|1,0,1]=4 7530 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218727 [0,2,0,0,0,0|2,0,0]=4 7531 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210596 [0,2,0,0,0,0|2,0,0]=4 7532 B17R0.78 CCCCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218727 [0,2,0,0,0,0|2,0,0]=4 7533 B17R0.78 CCCCCCCC(C)OCCCCCB(O)O 34a_200011215852_200009817188 [0,2,0,0,0,0|1,0,1]=4 7534 B17R0.78 CCCCCCCC(C)OCCCCCB(O)O 7a_200011215852_200009817188 [0,2,0,0,0,0|1,0,1]=4 7535 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218727 [0,2,0,0,0,0|1,0,0]=3 7536 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_200011215852_100009817443 [0,2,0,0,0,0|1,0,0]=3 7537 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218727 [0,2,0,0,0,0|1,0,0]=3 7538 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_200011215852_100009817443 [0,2,0,0,0,0|1,0,0]=3 7539 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218727 [0,2,0,0,0,0|0,0,1]=3 7540 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218727 [0,2,0,0,0,0|2,0,0]=4 7541 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 34a_200011215852_100000033659 [0,2,0,0,0,0|2,0,0]=4 7542 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218727 [0,2,0,0,0,0|2,0,0]=4 7543 B17R0.78 CCCCCCCC(C)OCCCCOC(=O)C 7a_200011215852_100000033659 [0,2,0,0,0,0|2,0,0]=4 7544 B17R0.78 CCCCCCCC(C)OCCCCSC(=O)C 34a_200011215852_200010402107 [0,2,0,0,0,0|2,0,0]=4 7545 B17R0.78 CCCCCCCC(C)OCCCCSC(=O)C 7a_200011215852_200010402107 [0,2,0,0,0,0|2,0,0]=4 7546 B17R0.78 CCCCCCCC(C)SCCCCCB(O)O 62a_200009817188_200011218727 [0,2,0,0,0,0|1,0,1]=4 7547 B17R0.78 CCCCCCCC(C)SCCCCCB(O)O 62a_200011218727_200009817188 [0,2,0,0,0,0|1,0,1]=4 7548 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218727 [0,2,0,0,0,0|1,0,0]=3 7549 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_200011218727_100009817443 [0,2,0,0,0,0|1,0,0]=3 7550 B17R0.78 CCCCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218727 [0,2,0,0,0,0|2,0,0]=4 7551 B17R0.78 CCCCCCCC(C)SCCCCOC(=O)C 62a_200011218727_100000033659 [0,2,0,0,0,0|2,0,0]=4 7552 B17R0.78 CCCCCCCN(C)CCCCCCB(O)O 2230a_100000228206_100009817187 [0,2,0,0,0,0|1,0,1]=4 7553 B17R0.78 CCCCCCCN(C)CCCCCCB(O)O 269982a_100000228206_100009817187 [0,2,0,0,0,0|1,0,1]=4 7554 B17R0.78 CCCCCCCN(C)CCCCCOC(=O)C 2230a_100000228206_100009813381 [0,2,0,0,0,0|2,0,0]=4 7555 B17R0.78 CCCCCCCN(C)CCCCCOC(=O)C 269982a_100000228206_100000033007 [0,2,0,0,0,0|2,0,0]=4 7556 B17R0.133 CCCCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210757 [0,2,0,0,0,0|0,0,1]=3 7557 B17R0.133 CCCCCCC(=O)CCCCCCC(=O)OC 1458a_100102632555_100009815986 [0,2,0,0,0,0|0,0,1]=3 7558 B17R0.133 CCCCCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100102632555 [0,2,0,0,0,0|1,0,1]=4 7559 B17R0.133 CCCCCCC(C)CCOCCCC(=O)NC 34a_200011024964_100000741757 [0,2,0,0,0,0|2,0,0]=4 7560 B17R0.133 CCCCCCC(C)CCOCCCC(=O)NC 7a_200011024964_100000741757 [0,2,0,0,0,0|2,0,0]=4 7561 B17R0.133 CCCCCCC(C)CCOCCCC(=O)OC 34a_200011024964_100000742333 [0,2,0,0,0,0|1,0,0]=3 7562 B17R0.133 CCCCCCC(C)CCOCCCC(=O)OC 7a_200011024964_100011218270 [0,2,0,0,0,0|1,0,0]=3 7563 B17R0.133 CCCCCCC(C)NCCCCCC(=O)OC 2230a_100000210919_100009816466 [0,2,0,0,0,0|1,0,0]=3 7564 B17R0.133 CCCCCCC(C)NCCCCCC(=O)OC 34a_100000210919_100009816466 [0,2,0,0,0,0|1,0,0]=3 7565 B17R0.133 CCCCCCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215978 [0,2,0,0,0,0|1,0,0]=3 7566 B17R0.133 CCCCCCC(C)OCCCCCC(=O)OC 34a_100000210265_100009816466 [0,2,0,0,0,0|1,0,0]=3 7567 B17R0.133 CCCCCCC(C)OCCCCCC(=O)OC 7a_100000074720_100011215978 [0,2,0,0,0,0|1,0,0]=3 7568 B17R0.133 CCCCCCC(C)OCCCCCC(=O)OC 7a_100000210265_100009816466 [0,2,0,0,0,0|1,0,0]=3 7569 B17R0.133 CCCCCCC(C)SCCCCCC(=O)OC 62a_100009816466_100011215978 [0,2,0,0,0,0|1,0,0]=3 7570 B17R0.133 CCCCCCC(C)SCCCCCC(=O)OC 62a_100011215978_100009816466 [0,2,0,0,0,0|1,0,0]=3 7571 B17R0.133 CCCCCCN(C)CCCCCCC(=O)OC 2230a_106256046315_100009815986 [0,2,0,0,0,0|1,0,0]=3 7572 B17R0.133 CCCCCCN(C)CCCCCCC(=O)OC 269982a_106256046315_100009815986 [0,2,0,0,0,0|1,0,0]=3 7573 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC 11a_100000209983_100000036694 [0,2,0,0,0,0|1,0,1]=4 7574 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC 1626a_100000209983_100000036694 [0,2,0,0,0,0|1,0,1]=4 7575 B17R0.133 CCCCCNC(=O)CCCCCCC(=O)OC 240690a_100000209983_100000036694 [0,2,0,0,0,0|1,0,1]=4 7576 B17R0.133 CCCCOCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100011995733 [0,2,0,0,0,0|1,0,1]=4 7577 B17R0.133 CCCCOCC(=O)CCCCCCC(=O)OC 1458a_100000757543_100009815986 [0,2,0,0,0,0|1,0,1]=4 7578 B17R0.133 CCCCOCC(C)OCCCCCC(=O)OC 34a_100011217071_100009816466 [0,2,0,0,0,0|2,0,0]=4 7579 B17R0.133 CCCCOCC(C)OCCCCCC(=O)OC 7a_100011217071_100009816466 [0,2,0,0,0,0|2,0,0]=4 7580 B17R0.133 CCCCSCC(=O)CCCCCCC(=O)OC 1458a_100000191162_100009815986 [0,2,0,0,0,0|1,0,1]=4 7581 B17R0.133 CCCOCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100011215938 [0,2,0,0,0,0|1,0,1]=4 7582 B17R0.133 CCOCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100012232248 [0,2,0,0,0,0|1,0,1]=4 7583 B17R0.133 COC(=O)CCCCCCC(=O)CCCCCF 1458a_100000036694_100000729378 [0,2,0,0,0,0|1,0,1]=4 7584 B17R0.133 COC(=O)CCCCCCC(=O)CCCCCO 1458a_100000036694_100000746330 [0,2,0,0,0,0|1,0,1]=4 7585 B17R0.133 COC(=O)CCCCCCC(=O)CCCCCO 1458a_100102619762_100009815986 [0,2,0,0,0,0|1,0,1]=4 7586 B17R0.133 COC(=O)CCCCCCN(C)CCCCCO 2230a_100000722520_100009815986 [0,2,0,0,0,0|2,0,0]=4 7587 B17R0.133 COC(=O)CCCCCCN(C)CCCCCO 269982a_100000722520_100009815986 [0,2,0,0,0,0|2,0,0]=4 7588 B17R0.133 COCCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000755781 [0,2,0,0,0,0|1,0,1]=4 7589 B17R0.9420 CC(=O)CCCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000735457 [0,2,0,0,0,0|1,0,1]=4 7590 B17R0.13857 CCCCCCC(C)(C)OCCCCCC(=O)N 7a_200011995690_100009817443 [0,2,0,0,0,0|2,0,0]=4 7591 B17R0.14477 C=CC(CCCCCC)OCCCCCC(=O)N 34a_200011215977_100009817443 [0,2,0,0,0,0|2,0,0]=4 7592 B17R0.14477 C=CC(CCCCCC)OCCCCCC(=O)N 7a_200011215977_100009817443 [0,2,0,0,0,0|2,0,0]=4 7593 B17R0.14477 CCCCCCC(CC)OCCCCCC(=O)N 34a_100011215785_100009817443 [0,2,0,0,0,0|2,0,0]=4 7594 B17R0.14477 CCCCCCC(CC)OCCCCCC(=O)N 7a_100011215785_100009817443 [0,2,0,0,0,0|2,0,0]=4 7595 B17R0.97 CCCCCCCCC(=O)CCCCC(=O)OC 1458a_100000210188_100000204269 [0,2,0,0,0,0|0,0,1]=3 7596 B17R0.97 CCCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210759 [0,2,0,0,0,0|0,0,1]=3 7597 B17R0.97 CCCCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210759 [0,2,0,0,0,0|1,0,1]=4 7598 B17R0.97 CCCCCCCCC(=O)CCOCC(=O)OC 1458a_100000210188_100000090808 [0,2,0,0,0,0|1,0,1]=4 7599 B17R0.97 CCCCCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210188 [0,2,0,0,0,0|1,0,1]=4 7600 B17R0.97 CCCCCCCCC(C)CNCCC(=O)NC 270004a_100000738227_100011995885 [0,2,0,0,0,0|2,0,0]=4 7601 B17R0.97 CCCCCCCCC(C)COCCC(=O)NC 34a_200012125181_100012179268 [0,2,0,0,0,0|2,0,0]=4 7602 B17R0.97 CCCCCCCCC(C)COCCC(=O)NC 7a_200012125181_100000737683 [0,2,0,0,0,0|2,0,0]=4 7603 B17R0.97 CCCCCCCCC(C)COCCC(=O)OC 34a_200012125181_100000742370 [0,2,0,0,0,0|1,0,0]=3 7604 B17R0.97 CCCCCCCCC(C)COCCC(=O)OC 7a_200012125181_100000204255 [0,2,0,0,0,0|1,0,0]=3 7605 B17R0.97 CCCCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100011216694 [0,2,0,0,0,0|2,0,0]=4 7606 B17R0.97 CCCCCCCCC(C)OCCCC(=O)NC 34a_100000210740_100000741757 [0,2,0,0,0,0|2,0,0]=4 7607 B17R0.97 CCCCCCCCC(C)OCCCC(=O)NC 7a_100000210740_100000741757 [0,2,0,0,0,0|2,0,0]=4 7608 B17R0.97 CCCCCCCCC(C)OCCCC(=O)OC 34a_100000210740_100000742333 [0,2,0,0,0,0|1,0,0]=3 7609 B17R0.97 CCCCCCCCC(C)OCCCC(=O)OC 7a_100000210740_100011218270 [0,2,0,0,0,0|1,0,0]=3 7610 B17R0.97 CCCCCCCCN(C)CCCCC(=O)OC 2230a_100000207567_100000204269 [0,2,0,0,0,0|1,0,0]=3 7611 B17R0.97 CCCCCCCCN(C)CCCCC(=O)OC 269982a_100000207567_100000204269 [0,2,0,0,0,0|1,0,0]=3 7612 B17R0.97 CCCCCCCCN(C)CCOCC(=O)OC 2230a_100000207567_100000090808 [0,2,0,0,0,0|2,0,0]=4 7613 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 11a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 7614 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 1626a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 7615 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 240690a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 7616 B17R0.97 CCCCCCCNC(=O)CCCCC(=O)OC 527a_100000229938_100000695723 [0,2,0,0,0,0|1,0,1]=4 7617 B17R0.97 COC(=O)CCCCC(=O)CCCCCCCO 1458a_100000695723_100000760002 [0,2,0,0,0,0|1,0,1]=4 7618 B17R0.97 COC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000204269 [0,2,0,0,0,0|1,0,1]=4 7619 B17R0.97 COCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100011998445 [0,2,0,0,0,0|1,0,1]=4 7620 B17R0.195 C#CC(=O)CCCCCCCCCCCCCO 1458a_100000211873_100009812470 [0,2,0,0,0,0|1,0,0]=3 7621 B17R0.195 C#CC(O)CCCCCNCCCCCCCC 2230a_100000229939_200010408556 [0,2,0,0,0,0|1,0,1]=4 7622 B17R0.195 C#CC(O)CCCCCNCCCCCCCC 34a_100000229939_200010408556 [0,2,0,0,0,0|1,0,1]=4 7623 B17R0.195 C#CC(O)CCCCCOCCCCCCCC 34a_100000210232_200010408556 [0,2,0,0,0,0|1,0,1]=4 7624 B17R0.195 C#CC(O)CCCCCOCCCCCCCC 7a_100000210232_200010408556 [0,2,0,0,0,0|1,0,1]=4 7625 B17R0.195 C#CC(O)CCCCCSCCCCCCCC 62a_100000210759_200010408556 [0,2,0,0,0,0|1,0,1]=4 7626 B17R0.195 C#CC(O)CCCCCSCCCCCCCC 62a_200010408556_100000210317 [0,2,0,0,0,0|1,0,1]=4 7627 B17R0.195 C#CCCCCCCCCCCOCC(=O)OC 34a_100000054667_100000747449 [0,2,0,0,0,0|0,0,2]=4 7628 B17R0.195 C#CCCCCCCCCCCOCC(=O)OC 7a_100000054667_100000747449 [0,2,0,0,0,0|0,0,2]=4 7629 B17R0.195 C#CCCCCCCCCCOCCC(=O)OC 34a_100000034437_100000742370 [0,2,0,0,0,0|0,0,2]=4 7630 B17R0.195 C#CCCCCCCCCCOCCC(=O)OC 7a_100000034437_100000204255 [0,2,0,0,0,0|0,0,2]=4 7631 B17R0.195 C#CCCCCCCCCOCCCC(=O)OC 34a_100000065265_100000742333 [0,2,0,0,0,0|0,0,2]=4 7632 B17R0.195 C#CCCCCCCCCOCCCC(=O)OC 7a_100000065265_100011218270 [0,2,0,0,0,0|0,0,2]=4 7633 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 34a_100000054614_100000204269 [0,2,0,0,0,0|0,0,2]=4 7634 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100153394163 [0,2,0,0,0,0|0,0,2]=4 7635 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 7a_100000054614_100000204269 [0,2,0,0,0,0|0,0,2]=4 7636 B17R0.195 C#CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100153394163 [0,2,0,0,0,0|0,0,2]=4 7637 B17R0.195 C#CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100153394163 [0,2,0,0,0,0|0,0,2]=4 7638 B17R0.195 C#CCCCCCCCSCCCCC(=O)OC 62a_100153394163_100000204269 [0,2,0,0,0,0|0,0,2]=4 7639 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100012276617 [0,2,0,0,0,0|0,0,2]=4 7640 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 34a_100011217361_100009816466 [0,2,0,0,0,0|0,0,2]=4 7641 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100012276617 [0,2,0,0,0,0|0,0,2]=4 7642 B17R0.195 C#CCCCCCCOCCCCCC(=O)OC 7a_100011217361_100009816466 [0,2,0,0,0,0|0,0,2]=4 7643 B17R0.195 C#CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100012276617 [0,2,0,0,0,0|0,0,2]=4 7644 B17R0.195 C#CCCCCCCSCCCCCC(=O)OC 62a_100012276617_100009816466 [0,2,0,0,0,0|0,0,2]=4 7645 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 34a_100000766912_100009815986 [0,2,0,0,0,0|0,0,2]=4 7646 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100012094781 [0,2,0,0,0,0|0,0,2]=4 7647 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 7a_100000766912_100009815986 [0,2,0,0,0,0|0,0,2]=4 7648 B17R0.195 C#CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100012094781 [0,2,0,0,0,0|0,0,2]=4 7649 B17R0.195 C#CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100012094781 [0,2,0,0,0,0|0,0,2]=4 7650 B17R0.195 C#CCCCCCSCCCCCCC(=O)OC 62a_100012094781_100009815986 [0,2,0,0,0,0|0,0,2]=4 7651 B17R0.195 C#CCCCCNCCCCCCCC(=O)OC 2230a_100000706060_100010004213 [0,2,0,0,0,0|0,0,2]=4 7652 B17R0.195 C#CCCCCNCCCCCCCC(=O)OC 34a_100000706060_100010004213 [0,2,0,0,0,0|0,0,2]=4 7653 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 34a_100000766709_100010004213 [0,2,0,0,0,0|0,0,2]=4 7654 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100010269958 [0,2,0,0,0,0|0,0,2]=4 7655 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 7a_100000766709_100010004213 [0,2,0,0,0,0|0,0,2]=4 7656 B17R0.195 C#CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100010269958 [0,2,0,0,0,0|0,0,2]=4 7657 B17R0.195 C#CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100010269958 [0,2,0,0,0,0|0,0,2]=4 7658 B17R0.195 C#CCCCCSCCCCCCCC(=O)OC 62a_100010269958_100010004213 [0,2,0,0,0,0|0,0,2]=4 7659 B17R0.195 C#CCCCNCCCCCCCCC(=O)OC 34a_100000718082_100010282707 [0,2,0,0,0,0|0,0,2]=4 7660 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000695029 [0,2,0,0,0,0|0,0,2]=4 7661 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 34a_100000215630_100010282707 [0,2,0,0,0,0|0,0,2]=4 7662 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215417 [0,2,0,0,0,0|0,0,2]=4 7663 B17R0.195 C#CCCCOCCCCCCCCC(=O)OC 7a_100000215630_100010282707 [0,2,0,0,0,0|0,0,2]=4 7664 B17R0.195 C#CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215417 [0,2,0,0,0,0|0,0,2]=4 7665 B17R0.195 C#CCCCSCCCCCCCCC(=O)OC 62a_100011215417_100010282707 [0,2,0,0,0,0|0,0,2]=4 7666 B17R0.195 C#CCCNCCCCCCCCCC(=O)OC 34a_100000755551_100009813843 [0,2,0,0,0,0|0,0,2]=4 7667 B17R0.195 C#CCCOCCCCCCCCCC(=O)OC 34a_100011215631_100009813843 [0,2,0,0,0,0|0,0,2]=4 7668 B17R0.195 C#CCCSCCCCCCCCCC(=O)OC 62a_100000688953_100009813843 [0,2,0,0,0,0|0,0,2]=4 7669 B17R0.195 C#CCNCCCCCCCCCCC(=O)OC 34a_100000212058_100009812566 [0,2,0,0,0,0|0,0,2]=4 7670 B17R0.195 C#CCOCCCCCCCCCCC(=O)OC 34a_100000210247_100009812566 [0,2,0,0,0,0|0,0,2]=4 7671 B17R0.195 C#CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000184674 [0,2,0,0,0,0|0,0,2]=4 7672 B17R0.195 C#CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000038162 [0,2,0,0,0,0|0,0,2]=4 7673 B17R0.195 C#CCSCCCCCCCCCCC(=O)OC 62a_100000038162_100009812566 [0,2,0,0,0,0|0,0,2]=4 7674 B17R0.195 C/C=C/CCOCCCCCCCCC(=O)OC 34a_100016278192_100010282707 [0,2,0,0,0,0|0,0,2]=4 7675 B17R0.195 C/C=C/COCCCCCCCCCC(=O)OC 34a_100016270725_100009813843 [0,2,0,0,0,0|0,0,2]=4 7676 B17R0.195 C/C=C/CSCCCCCCCCCC(=O)OC 62a_100102629194_100009813843 [0,2,0,0,0,0|0,0,2]=4 7677 B17R0.195 C=C(C#N)CNCCCCCCCCCCCC 2230a_100000210451_100000694840 [0,2,0,0,0,0|2,0,0]=4 7678 B17R0.195 C=C(C#N)CNCCCCCCCCCCCC 34a_100000210451_100000694840 [0,2,0,0,0,0|2,0,0]=4 7679 B17R0.195 C=CC(=O)CCCCCCCCCCCCCO 1458a_100000185746_100009812470 [0,2,0,0,0,0|1,0,0]=3 7680 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185746 [0,2,0,0,0,0|1,0,0]=3 7681 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 240690a_100011215765_200121576911 [0,2,0,0,0,0|1,0,0]=3 7682 B17R0.195 C=CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_200121576911 [0,2,0,0,0,0|2,0,0]=4 7683 B17R0.195 C=CC(=O)NCCCCOCCCCCCCC 34a_100014118770_100000210759 [0,2,0,0,0,0|2,0,0]=4 7684 B17R0.195 C=CC(=O)NCCNCCCCCCCCCC 2230a_114873766552_100000210320 [0,2,0,0,0,0|2,0,0]=4 7685 B17R0.195 C=CC(=O)NCCOCCCCCCCCCC 34a_100011304386_100000210320 [0,2,0,0,0,0|2,0,0]=4 7686 B17R0.195 C=CC(=O)OCCCCCCNCCCCCC 2230a_100000210581_100009894100 [0,2,0,0,0,0|2,0,0]=4 7687 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 34a_100000210259_100009894100 [0,2,0,0,0,0|2,0,0]=4 7688 B17R0.195 C=CC(=O)OCCCCCCOCCCCCC 7a_100000210259_100009894100 [0,2,0,0,0,0|2,0,0]=4 7689 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100000210314_100009894100 [0,2,0,0,0,0|2,0,0]=4 7690 B17R0.195 C=CC(=O)OCCCCCCSCCCCCC 62a_100009894100_100000210757 [0,2,0,0,0,0|2,0,0]=4 7691 B17R0.195 C=CC(=O)OCCCCCOCCCCCCC 7a_200011023508_100000210614 [0,2,0,0,0,0|2,0,0]=4 7692 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 2230a_100000684558_100009813456 [0,2,0,0,0,0|2,0,0]=4 7693 B17R0.195 C=CC(=O)OCCNCCCCCCCCCC 34a_100000684558_100009813456 [0,2,0,0,0,0|2,0,0]=4 7694 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 34a_100000210711_100009813456 [0,2,0,0,0,0|2,0,0]=4 7695 B17R0.195 C=CC(=O)OCCOCCCCCCCCCC 7a_100000210711_100009813456 [0,2,0,0,0,0|2,0,0]=4 7696 B17R0.195 C=CC(=O)OCCSCCCCCCCCCC 62a_100009813456_100000210320 [0,2,0,0,0,0|2,0,0]=4 7697 B17R0.195 C=CC(O)CNCCCCCCCCCCCC 2230a_100000210451_100000730141 [0,2,0,0,0,0|1,0,1]=4 7698 B17R0.195 C=CC(O)CNCCCCCCCCCCCC 34a_100000210451_100000730141 [0,2,0,0,0,0|1,0,1]=4 7699 B17R0.195 C=CC(O)COCCCCCCCCCCCC 34a_100000210810_100000730141 [0,2,0,0,0,0|1,0,1]=4 7700 B17R0.195 C=CC(O)COCCCCCCCCCCCC 7a_100000210810_100000730141 [0,2,0,0,0,0|1,0,1]=4 7701 B17R0.195 C=CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011093070 [0,2,0,0,0,0|0,0,2]=4 7702 B17R0.195 C=CCCCCCCCCCCSCC(=O)OC 62a_100011093070_100000747449 [0,2,0,0,0,0|0,0,2]=4 7703 B17R0.195 C=CCCCCCCCCCNCCC(=O)OC 2230a_100000081888_100000204255 [0,2,0,0,0,0|0,0,2]=4 7704 B17R0.195 C=CCCCCCCCCCNCCC(=O)OC 34a_100000081888_100000742370 [0,2,0,0,0,0|0,0,2]=4 7705 B17R0.195 C=CCCCCCCCCCOCCC(=O)OC 34a_100000038209_100000742370 [0,2,0,0,0,0|0,0,2]=4 7706 B17R0.195 C=CCCCCCCCCCOCCC(=O)OC 7a_100000038209_100000204255 [0,2,0,0,0,0|0,0,2]=4 7707 B17R0.195 C=CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100009814027 [0,2,0,0,0,0|0,0,2]=4 7708 B17R0.195 C=CCCCCCCCCCSCCC(=O)OC 62a_100009814027_100000204255 [0,2,0,0,0,0|0,0,2]=4 7709 B17R0.195 C=CCCCCCCCCOCCCC(=O)OC 34a_100011215194_100000742333 [0,2,0,0,0,0|0,0,2]=4 7710 B17R0.195 C=CCCCCCCCCOCCCC(=O)OC 7a_100011215194_100011218270 [0,2,0,0,0,0|0,0,2]=4 7711 B17R0.195 C=CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011933949 [0,2,0,0,0,0|0,0,2]=4 7712 B17R0.195 C=CCCCCCCCCSCCCC(=O)OC 62a_100011933949_100011218270 [0,2,0,0,0,0|0,0,2]=4 7713 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100012355270 [0,2,0,0,0,0|0,0,2]=4 7714 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 34a_100000730831_100000204269 [0,2,0,0,0,0|0,0,2]=4 7715 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100012355270 [0,2,0,0,0,0|0,0,2]=4 7716 B17R0.195 C=CCCCCCCCOCCCCC(=O)OC 7a_100000730831_100000204269 [0,2,0,0,0,0|0,0,2]=4 7717 B17R0.195 C=CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100012355270 [0,2,0,0,0,0|0,0,2]=4 7718 B17R0.195 C=CCCCCCCCSCCCCC(=O)OC 62a_100012355270_100000204269 [0,2,0,0,0,0|0,0,2]=4 7719 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011215473 [0,2,0,0,0,0|0,0,2]=4 7720 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 34a_200011216477_100009816466 [0,2,0,0,0,0|0,0,2]=4 7721 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100011215473 [0,2,0,0,0,0|0,0,2]=4 7722 B17R0.195 C=CCCCCCCOCCCCCC(=O)OC 7a_200011216477_100009816466 [0,2,0,0,0,0|0,0,2]=4 7723 B17R0.195 C=CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100011215473 [0,2,0,0,0,0|0,0,2]=4 7724 B17R0.195 C=CCCCCCCSCCCCCC(=O)OC 62a_100011215473_100009816466 [0,2,0,0,0,0|0,0,2]=4 7725 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000700193 [0,2,0,0,0,0|0,0,2]=4 7726 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 34a_100011216702_100009815986 [0,2,0,0,0,0|0,0,2]=4 7727 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000700193 [0,2,0,0,0,0|0,0,2]=4 7728 B17R0.195 C=CCCCCCOCCCCCCC(=O)OC 7a_100011216702_100009815986 [0,2,0,0,0,0|0,0,2]=4 7729 B17R0.195 C=CCCCCCSCCCCCCC(=O)OC 62a_100000700193_100009815986 [0,2,0,0,0,0|0,0,2]=4 7730 B17R0.195 C=CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000700193 [0,2,0,0,0,0|0,0,2]=4 7731 B17R0.195 C=CCCCCNCCCCCCCC(=O)OC 2230a_100000703577_100010004213 [0,2,0,0,0,0|0,0,2]=4 7732 B17R0.195 C=CCCCCNCCCCCCCC(=O)OC 34a_100000703577_100010004213 [0,2,0,0,0,0|0,0,2]=4 7733 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 34a_100000766645_100010004213 [0,2,0,0,0,0|0,0,2]=4 7734 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100011215482 [0,2,0,0,0,0|0,0,2]=4 7735 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 7a_100000766645_100010004213 [0,2,0,0,0,0|0,0,2]=4 7736 B17R0.195 C=CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100011215482 [0,2,0,0,0,0|0,0,2]=4 7737 B17R0.195 C=CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100011215482 [0,2,0,0,0,0|0,0,2]=4 7738 B17R0.195 C=CCCCCSCCCCCCCC(=O)OC 62a_100011215482_100010004213 [0,2,0,0,0,0|0,0,2]=4 7739 B17R0.195 C=CCCCNCCCCCCCCC(=O)OC 2230a_100000700776_100010282707 [0,2,0,0,0,0|0,0,2]=4 7740 B17R0.195 C=CCCCNCCCCCCCCC(=O)OC 34a_100000700776_100010282707 [0,2,0,0,0,0|0,0,2]=4 7741 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000757094 [0,2,0,0,0,0|0,0,2]=4 7742 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 34a_100000758997_100010282707 [0,2,0,0,0,0|0,0,2]=4 7743 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000757094 [0,2,0,0,0,0|0,0,2]=4 7744 B17R0.195 C=CCCCOCCCCCCCCC(=O)OC 7a_100000758997_100010282707 [0,2,0,0,0,0|0,0,2]=4 7745 B17R0.195 C=CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000757094 [0,2,0,0,0,0|0,0,2]=4 7746 B17R0.195 C=CCCCSCCCCCCCCC(=O)OC 62a_100011713584_100010282707 [0,2,0,0,0,0|0,0,2]=4 7747 B17R0.195 C=CCCNCCCCCCCCCC(=O)OC 2230a_100015191253_100009813843 [0,2,0,0,0,0|0,0,2]=4 7748 B17R0.195 C=CCCOCCCCCCCCCC(=O)OC 34a_100011205117_100009813843 [0,2,0,0,0,0|0,0,2]=4 7749 B17R0.195 C=CCCSCCCCCCCCCC(=O)OC 62a_100000754431_100009813843 [0,2,0,0,0,0|0,0,2]=4 7750 B17R0.195 C=CCNCCCCCCCCCCC(=O)OC 2230a_100020586998_100009812566 [0,2,0,0,0,0|0,0,2]=4 7751 B17R0.195 C=CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100015514636 [0,2,0,0,0,0|0,0,2]=4 7752 B17R0.195 C=CCOCCCCCCCCCCC(=O)OC 34a_200000210373_100009812566 [0,2,0,0,0,0|0,0,2]=4 7753 B17R0.195 C=CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100015514636 [0,2,0,0,0,0|0,0,2]=4 7754 B17R0.195 C=CCSCCCCCCCCCCC(=O)OC 62a_100000210623_100009812566 [0,2,0,0,0,0|0,0,2]=4 7755 B17R0.195 CC#CCCOCCCCCCCCC(=O)OC 34a_100000750427_100010282707 [0,2,0,0,0,0|0,0,2]=4 7756 B17R0.195 CC#CCNCCCCCCCCCC(=O)OC 2230a_100000685387_100009813843 [0,2,0,0,0,0|0,0,2]=4 7757 B17R0.195 CC#CCNCCCCCCCCCC(=O)OC 34a_100000685387_100009813843 [0,2,0,0,0,0|0,0,2]=4 7758 B17R0.195 CC#CCOCCCCCCCCCC(=O)OC 34a_100000761923_100009813843 [0,2,0,0,0,0|0,0,2]=4 7759 B17R0.195 CC#CCSCCCCCCCCCC(=O)OC 62a_100000748600_100009813843 [0,2,0,0,0,0|0,0,2]=4 7760 B17R0.195 CC/C=C/CCCOCCCCCCC(=O)OC 34a_100016287902_100009815986 [0,2,0,0,0,0|0,0,2]=4 7761 B17R0.195 CC/C=C/CCCOCCCCCCC(=O)OC 7a_100016287902_100009815986 [0,2,0,0,0,0|0,0,2]=4 7762 B17R0.195 CC/C=C\CCCCCOCCCCC(=O)OC 34a_100016268722_100000204269 [0,2,0,0,0,0|0,0,2]=4 7763 B17R0.195 CC/C=C\CCCCCOCCCCC(=O)OC 7a_100016268722_100000204269 [0,2,0,0,0,0|0,0,2]=4 7764 B17R0.195 CC/C=C\CCCCOCCCCCC(=O)OC 34a_100016287862_100009816466 [0,2,0,0,0,0|0,0,2]=4 7765 B17R0.195 CC/C=C\CCCCOCCCCCC(=O)OC 7a_100016287862_100009816466 [0,2,0,0,0,0|0,0,2]=4 7766 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 34a_100011022521_100015370543 [0,2,0,0,0,0|0,0,2]=4 7767 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 34a_100016288707_100010004213 [0,2,0,0,0,0|0,0,2]=4 7768 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 7a_100011022521_100015370543 [0,2,0,0,0,0|0,0,2]=4 7769 B17R0.195 CC/C=C\CCOCCCCCCCC(=O)OC 7a_100016288707_100010004213 [0,2,0,0,0,0|0,0,2]=4 7770 B17R0.195 CC/C=C\CCSCCCCCCCC(=O)OC 62a_100010004213_100015370543 [0,2,0,0,0,0|0,0,2]=4 7771 B17R0.195 CC/C=C\CCSCCCCCCCC(=O)OC 62a_100015370543_100010004213 [0,2,0,0,0,0|0,0,2]=4 7772 B17R0.195 CC/C=C\COCCCCCCCCC(=O)OC 34a_100000035544_100103147603 [0,2,0,0,0,0|0,0,2]=4 7773 B17R0.195 CC/C=C\COCCCCCCCCC(=O)OC 34a_100016268518_100010282707 [0,2,0,0,0,0|0,0,2]=4 7774 B17R0.195 CC/C=C\COCCCCCCCCC(=O)OC 7a_100000035544_100103147603 [0,2,0,0,0,0|0,0,2]=4 7775 B17R0.195 CC/C=C\CSCCCCCCCCC(=O)OC 62a_100010282707_100103147603 [0,2,0,0,0,0|0,0,2]=4 7776 B17R0.195 CC/C=C\CSCCCCCCCCC(=O)OC 62a_100103147603_100010282707 [0,2,0,0,0,0|0,0,2]=4 7777 B17R0.195 CC=CCCCOCCCCCCCC(=O)OC 34a_100020645299_100010004213 [0,2,0,0,0,0|0,0,2]=4 7778 B17R0.195 CC=CCSCCCCCCCCCC(=O)OC 62a_100000070051_100009813843 [0,2,0,0,0,0|0,0,2]=4 7779 B17R0.195 CCC#CCCCCCCCCOCC(=O)OC 34a_200000031908_100000747449 [0,2,0,0,0,0|0,0,2]=4 7780 B17R0.195 CCC#CCCCCCCCCOCC(=O)OC 7a_200000031908_100000747449 [0,2,0,0,0,0|0,0,2]=4 7781 B17R0.195 CCC#CCCCCCCSCCCC(=O)OC 62a_100011218270_200000036426 [0,2,0,0,0,0|0,0,2]=4 7782 B17R0.195 CCC#CCCCCCCSCCCC(=O)OC 62a_200000036426_100011218270 [0,2,0,0,0,0|0,0,2]=4 7783 B17R0.195 CCC#CCCOCCCCCCCC(=O)OC 34a_100000036655_100010004213 [0,2,0,0,0,0|0,0,2]=4 7784 B17R0.195 CCC#CCCOCCCCCCCC(=O)OC 7a_100000036655_100010004213 [0,2,0,0,0,0|0,0,2]=4 7785 B17R0.195 CCC#CCOCCCCCCCCC(=O)OC 34a_100000032950_100010282707 [0,2,0,0,0,0|0,0,2]=4 7786 B17R0.195 CCC#CCOCCCCCCCCC(=O)OC 34a_100000035544_100009813939 [0,2,0,0,0,0|0,0,2]=4 7787 B17R0.195 CCC#CCOCCCCCCCCC(=O)OC 7a_100000035544_100009813939 [0,2,0,0,0,0|0,0,2]=4 7788 B17R0.195 CCC#CCSCCCCCCCCC(=O)OC 62a_100009813939_100010282707 [0,2,0,0,0,0|0,0,2]=4 7789 B17R0.195 CCC#CCSCCCCCCCCC(=O)OC 62a_100010282707_100009813939 [0,2,0,0,0,0|0,0,2]=4 7790 B17R0.195 CCC(=O)CCCCCCCCCCCCCO 1458a_100000210414_100009812470 [0,2,0,0,0,0|1,0,0]=3 7791 B17R0.195 CCC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747405 [0,2,0,0,0,0|2,0,0]=4 7792 B17R0.195 CCC(=O)COCCCCCCCCCCCO 34a_100000725409_100009812471 [0,2,0,0,0,0|2,0,0]=4 7793 B17R0.195 CCC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747405 [0,2,0,0,0,0|2,0,0]=4 7794 B17R0.195 CCC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100000210414 [0,2,0,0,0,0|2,0,0]=4 7795 B17R0.195 CCC/C=C/COCCCCCCCC(=O)OC 34a_100016278788_100010004213 [0,2,0,0,0,0|0,0,2]=4 7796 B17R0.195 CCC/C=C/COCCCCCCCC(=O)OC 7a_100016278788_100010004213 [0,2,0,0,0,0|0,0,2]=4 7797 B17R0.195 CCCC#CCCOCCCCCCC(=O)OC 34a_100000042726_100009815986 [0,2,0,0,0,0|0,0,2]=4 7798 B17R0.195 CCCC#CCCOCCCCCCC(=O)OC 7a_100000042726_100009815986 [0,2,0,0,0,0|0,0,2]=4 7799 B17R0.195 CCCC#CCOCCCCCCCC(=O)OC 34a_100000034806_100010004213 [0,2,0,0,0,0|0,0,2]=4 7800 B17R0.195 CCCC#CCOCCCCCCCC(=O)OC 7a_100000034806_100010004213 [0,2,0,0,0,0|0,0,2]=4 7801 B17R0.195 CCCC/C=C/CCCCOCCCC(=O)OC 34a_200020645093_100000742333 [0,2,0,0,0,0|0,0,2]=4 7802 B17R0.195 CCCC/C=C/CCCCOCCCC(=O)OC 7a_200020645093_100011218270 [0,2,0,0,0,0|0,0,2]=4 7803 B17R0.195 CCCC/C=C/COCCCCCCC(=O)OC 34a_200016272032_100009815986 [0,2,0,0,0,0|0,0,2]=4 7804 B17R0.195 CCCC/C=C/COCCCCCCC(=O)OC 7a_200016272032_100009815986 [0,2,0,0,0,0|0,0,2]=4 7805 B17R0.195 CCCC/C=C\CCOCCCCCC(=O)OC 34a_200016286491_100009816466 [0,2,0,0,0,0|0,0,2]=4 7806 B17R0.195 CCCC/C=C\CCOCCCCCC(=O)OC 7a_200016286491_100009816466 [0,2,0,0,0,0|0,0,2]=4 7807 B17R0.195 CCCCC#CCCCCCCSCC(=O)OC 62a_100000747449_200000043322 [0,2,0,0,0,0|0,0,2]=4 7808 B17R0.195 CCCCC#CCCCCCCSCC(=O)OC 62a_200000043322_100000747449 [0,2,0,0,0,0|0,0,2]=4 7809 B17R0.195 CCCCC#CCCCCOCCCC(=O)OC 34a_200000066234_100000742333 [0,2,0,0,0,0|0,0,2]=4 7810 B17R0.195 CCCCC#CCCCCOCCCC(=O)OC 7a_200000066234_100011218270 [0,2,0,0,0,0|0,0,2]=4 7811 B17R0.195 CCCCC#CCCCOCCCCC(=O)OC 34a_100000059025_200000047210 [0,2,0,0,0,0|0,0,2]=4 7812 B17R0.195 CCCCC#CCCCOCCCCC(=O)OC 7a_100000059025_200000047210 [0,2,0,0,0,0|0,0,2]=4 7813 B17R0.195 CCCCC#CCCCSCCCCC(=O)OC 62a_100000204269_200000047210 [0,2,0,0,0,0|0,0,2]=4 7814 B17R0.195 CCCCC#CCCCSCCCCC(=O)OC 62a_200000047210_100000204269 [0,2,0,0,0,0|0,0,2]=4 7815 B17R0.195 CCCCC#CCCOCCCCCC(=O)OC 34a_100000037610_100009816466 [0,2,0,0,0,0|0,0,2]=4 7816 B17R0.195 CCCCC#CCCOCCCCCC(=O)OC 7a_100000037610_100009816466 [0,2,0,0,0,0|0,0,2]=4 7817 B17R0.195 CCCCC#CCOCCCCCCC(=O)OC 34a_200000034558_100009815986 [0,2,0,0,0,0|0,0,2]=4 7818 B17R0.195 CCCCC#CCOCCCCCCC(=O)OC 7a_200000034558_100009815986 [0,2,0,0,0,0|0,0,2]=4 7819 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 34a_100016258190_100009816466 [0,2,0,0,0,0|0,0,2]=4 7820 B17R0.195 CCCCC/C=C/COCCCCCC(=O)OC 7a_100016258190_100009816466 [0,2,0,0,0,0|0,0,2]=4 7821 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 34a_100020655193_100000742333 [0,2,0,0,0,0|0,0,2]=4 7822 B17R0.195 CCCCC/C=C\CCCOCCCC(=O)OC 7a_100020655193_100011218270 [0,2,0,0,0,0|0,0,2]=4 7823 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 34a_100016277358_100000204269 [0,2,0,0,0,0|0,0,2]=4 7824 B17R0.195 CCCCC/C=C\CCOCCCCC(=O)OC 7a_100016277358_100000204269 [0,2,0,0,0,0|0,0,2]=4 7825 B17R0.195 CCCCCC#CCCOCCCCC(=O)OC 34a_200000042877_100000204269 [0,2,0,0,0,0|0,0,2]=4 7826 B17R0.195 CCCCCC#CCCOCCCCC(=O)OC 7a_200000042877_100000204269 [0,2,0,0,0,0|0,0,2]=4 7827 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 34a_100000074720_100009816472 [0,2,0,0,0,0|0,0,2]=4 7828 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 34a_200000033628_100009816466 [0,2,0,0,0,0|0,0,2]=4 7829 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 7a_100000074720_100009816472 [0,2,0,0,0,0|0,0,2]=4 7830 B17R0.195 CCCCCC#CCOCCCCCC(=O)OC 7a_200000033628_100009816466 [0,2,0,0,0,0|0,0,2]=4 7831 B17R0.195 CCCCCC#CCSCCCCCC(=O)OC 62a_100009816466_100009816472 [0,2,0,0,0,0|0,0,2]=4 7832 B17R0.195 CCCCCC#CCSCCCCCC(=O)OC 62a_100009816472_100009816466 [0,2,0,0,0,0|0,0,2]=4 7833 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 34a_200016276170_100000204269 [0,2,0,0,0,0|0,0,2]=4 7834 B17R0.195 CCCCCC/C=C/COCCCCC(=O)OC 7a_200016276170_100000204269 [0,2,0,0,0,0|0,0,2]=4 7835 B17R0.195 CCCCCCC#CCCOCCCC(=O)OC 34a_200000033163_100000742333 [0,2,0,0,0,0|0,0,2]=4 7836 B17R0.195 CCCCCCC#CCCOCCCC(=O)OC 7a_200000033163_100011218270 [0,2,0,0,0,0|0,0,2]=4 7837 B17R0.195 CCCCCCC#CCOCCCCC(=O)OC 34a_200000037284_100000204269 [0,2,0,0,0,0|0,0,2]=4 7838 B17R0.195 CCCCCCC#CCOCCCCC(=O)OC 7a_200000037284_100000204269 [0,2,0,0,0,0|0,0,2]=4 7839 B17R0.195 CCCCCCCC#CCOCCCC(=O)OC 34a_200000061759_100000742333 [0,2,0,0,0,0|0,0,2]=4 7840 B17R0.195 CCCCCCCC#CCOCCCC(=O)OC 7a_200000061759_100011218270 [0,2,0,0,0,0|0,0,2]=4 7841 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 34a_200020667288_100000742370 [0,2,0,0,0,0|0,0,2]=4 7842 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 7a_200020667288_100000204255 [0,2,0,0,0,0|0,0,2]=4 7843 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 34a_100015232335_100000747449 [0,2,0,0,0,0|0,0,2]=4 7844 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 7a_100015232335_100000747449 [0,2,0,0,0,0|0,0,2]=4 7845 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [0,2,0,0,0,0|0,0,0]=2 7846 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [0,2,0,0,0,0|1,0,0]=3 7847 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [0,2,0,0,0,0|1,0,0]=3 7848 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [0,2,0,0,0,0|1,0,0]=3 7849 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 11a_100011215765_100000210414 [0,2,0,0,0,0|1,0,0]=3 7850 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 1626a_100011215765_100000210414 [0,2,0,0,0,0|1,0,0]=3 7851 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 240690a_100011215765_100000210414 [0,2,0,0,0,0|1,0,0]=3 7852 B17R0.195 CCCCCCCCCCCCCNC(=O)CC 527a_100011215765_100000210414 [0,2,0,0,0,0|1,0,0]=3 7853 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [0,2,0,0,0,0|0,0,0]=2 7854 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [0,2,0,0,0,0|0,0,0]=2 7855 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100011215765_106832991635 [0,2,0,0,0,0|1,0,0]=3 7856 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011215765 [0,2,0,0,0,0|1,0,0]=3 7857 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100011215765_100102657272 [0,2,0,0,0,0|1,0,0]=3 7858 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011215765 [0,2,0,0,0,0|1,0,0]=3 7859 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_100011215765_100102657272 [0,2,0,0,0,0|1,0,0]=3 7860 B17R0.195 CCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011215765 [0,2,0,0,0,0|1,0,0]=3 7861 B17R0.195 CCCCCCCCCCCCCNC(C)CO 2230a_100011215765_100012180447 [0,2,0,0,0,0|1,0,1]=4 7862 B17R0.195 CCCCCCCCCCCCCNC(C)CO 34a_100011215765_100012180447 [0,2,0,0,0,0|1,0,1]=4 7863 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210684 [0,2,0,0,0,0|1,0,1]=4 7864 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_200011215488 [0,2,0,0,0,0|1,0,1]=4 7865 B17R0.195 CCCCCCCCCCCCCOC(C)CO 34a_100000185773_100012180447 [0,2,0,0,0,0|1,0,1]=4 7866 B17R0.195 CCCCCCCCCCCCCOC(C)CO 7a_100000185773_100012180447 [0,2,0,0,0,0|1,0,1]=4 7867 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000210451_100000183359 [0,2,0,0,0,0|1,0,0]=3 7868 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215052 [0,2,0,0,0,0|1,0,0]=3 7869 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_100011218549 [0,2,0,0,0,0|1,0,0]=3 7870 B17R0.195 CCCCCCCCCCCCNCC(=O)NC 34a_100000210451_100000183359 [0,2,0,0,0,0|1,0,0]=3 7871 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [0,2,0,0,0,0|0,0,0]=2 7872 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [0,2,0,0,0,0|0,0,0]=2 7873 B17R0.195 CCCCCCCCCCCCNCC(C)CO 34a_100000744482_100000759014 [0,2,0,0,0,0|1,0,1]=4 7874 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100000210451_100011218378 [0,2,0,0,0,0|1,0,1]=4 7875 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215052 [0,2,0,0,0,0|1,0,1]=4 7876 B17R0.195 CCCCCCCCCCCCNCC(O)CC 270004a_100011218483_100011218549 [0,2,0,0,0,0|1,0,1]=4 7877 B17R0.195 CCCCCCCCCCCCNCC(O)CC 34a_100000210451_100011218378 [0,2,0,0,0,0|1,0,1]=4 7878 B17R0.195 CCCCCCCCCCCCNCC(O)CO 2230a_100000210451_100011219619 [0,2,0,0,0,0|0,0,2]=4 7879 B17R0.195 CCCCCCCCCCCCNCC(O)CO 34a_100000210451_100011219619 [0,2,0,0,0,0|0,0,2]=4 7880 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 2230a_100000210451_100000059175 [0,2,0,0,0,0|1,0,1]=4 7881 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 34a_100000210451_100000059175 [0,2,0,0,0,0|1,0,1]=4 7882 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215052 [0,2,0,0,0,0|1,0,1]=4 7883 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)OC 270004a_100020591295_100011218549 [0,2,0,0,0,0|1,0,1]=4 7884 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 270004a_100015665980_100011218549 [0,2,0,0,0,0|1,0,1]=4 7885 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000759014 [0,2,0,0,0,0|1,0,1]=4 7886 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 2230a_100000210451_100015614560 [0,2,0,0,0,0|1,0,1]=4 7887 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 34a_100000210451_100015614560 [0,2,0,0,0,0|1,0,1]=4 7888 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 2230a_100000210451_100009815848 [0,2,0,0,0,0|0,0,2]=4 7889 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 34a_100000210451_100009815848 [0,2,0,0,0,0|0,0,2]=4 7890 B17R0.195 CCCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215052 [0,2,0,0,0,0|0,0,2]=4 7891 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 34a_100000725409_100000759014 [0,2,0,0,0,0|1,0,0]=3 7892 B17R0.195 CCCCCCCCCCCCOCC(=O)CC 7a_100000210810_100000747405 [0,2,0,0,0,0|1,0,0]=3 7893 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000210810_100000183359 [0,2,0,0,0,0|1,0,0]=3 7894 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000759014 [0,2,0,0,0,0|1,0,0]=3 7895 B17R0.195 CCCCCCCCCCCCOCC(=O)NC 7a_100000210810_100000183359 [0,2,0,0,0,0|1,0,0]=3 7896 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [0,2,0,0,0,0|0,0,0]=2 7897 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [0,2,0,0,0,0|0,0,0]=2 7898 B17R0.195 CCCCCCCCCCCCOCC(C)OC 34a_100000690652_100000759014 [0,2,0,0,0,0|1,0,1]=4 7899 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [0,2,0,0,0,0|1,0,1]=4 7900 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [0,2,0,0,0,0|1,0,1]=4 7901 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [0,2,0,0,0,0|0,0,2]=4 7902 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [0,2,0,0,0,0|0,0,2]=4 7903 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [0,2,0,0,0,0|1,0,1]=4 7904 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [0,2,0,0,0,0|1,0,1]=4 7905 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 34a_100000210810_100015614560 [0,2,0,0,0,0|1,0,1]=4 7906 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 7a_100000210810_100015614560 [0,2,0,0,0,0|1,0,1]=4 7907 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [0,2,0,0,0,0|0,0,2]=4 7908 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [0,2,0,0,0,0|0,0,2]=4 7909 B17R0.195 CCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100000759014 [0,2,0,0,0,0|1,0,0]=3 7910 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [0,2,0,0,0,0|0,0,0]=2 7911 B17R0.195 CCCCCCCCCCCCSCC(O)CO 62a_100011219619_100000759014 [0,2,0,0,0,0|0,0,2]=4 7912 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000759014 [0,2,0,0,0,0|1,0,1]=4 7913 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000759014 [0,2,0,0,0,0|0,0,2]=4 7914 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215454 [0,2,0,0,0,0|1,0,0]=3 7915 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 2230a_200011215754_100000737683 [0,2,0,0,0,0|1,0,0]=3 7916 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100011215454 [0,2,0,0,0,0|1,0,0]=3 7917 B17R0.195 CCCCCCCCCCCNCCC(=O)NC 34a_200011215754_100012179268 [0,2,0,0,0,0|1,0,0]=3 7918 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [0,2,0,0,0,0|0,0,0]=2 7919 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [0,2,0,0,0,0|0,0,0]=2 7920 B17R0.195 CCCCCCCCCCCNCCC(C)CO 2230a_106354213184_100011215454 [0,2,0,0,0,0|1,0,1]=4 7921 B17R0.195 CCCCCCCCCCCNCCC(C)CO 34a_106354213184_100011215454 [0,2,0,0,0,0|1,0,1]=4 7922 B17R0.195 CCCCCCCCCCCOCCC(=NO)N 34a_100000749954_100011215454 [0,2,0,0,0,0|1,0,0]=3 7923 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000210809_100012179268 [0,2,0,0,0,0|1,0,0]=3 7924 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100011215454 [0,2,0,0,0,0|1,0,0]=3 7925 B17R0.195 CCCCCCCCCCCOCCC(=O)NC 7a_100000210809_100000737683 [0,2,0,0,0,0|1,0,0]=3 7926 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [0,2,0,0,0,0|0,0,0]=2 7927 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [0,2,0,0,0,0|0,0,0]=2 7928 B17R0.195 CCCCCCCCCCCOCCC(C)OC 7a_100000764861_100011215454 [0,2,0,0,0,0|1,0,1]=4 7929 B17R0.195 CCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100011215454 [0,2,0,0,0,0|1,0,0]=3 7930 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [0,2,0,0,0,0|0,0,0]=2 7931 B17R0.195 CCCCCCCCCCNC/C=C/C(=O)OC 2230a_100000684558_100000742655 [0,2,0,0,0,0|0,0,2]=4 7932 B17R0.195 CCCCCCCCCCNC/C=C/C(=O)OC 34a_100000684558_100000742655 [0,2,0,0,0,0|0,0,2]=4 7933 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000684558_100000741757 [0,2,0,0,0,0|1,0,0]=3 7934 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210320 [0,2,0,0,0,0|1,0,0]=3 7935 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000684558_100000741757 [0,2,0,0,0,0|1,0,0]=3 7936 B17R0.195 CCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210320 [0,2,0,0,0,0|1,0,0]=3 7937 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [0,2,0,0,0,0|0,0,0]=2 7938 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [0,2,0,0,0,0|0,0,0]=2 7939 B17R0.195 CCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210320 [0,2,0,0,0,0|2,0,0]=4 7940 B17R0.195 CCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210320 [0,2,0,0,0,0|2,0,0]=4 7941 B17R0.195 CCCCCCCCCCNCCOC(=O)NC 34a_100000684558_200011997002 [0,2,0,0,0,0|2,0,0]=4 7942 B17R0.195 CCCCCCCCCCOC/C=C/C(=O)OC 34a_100000210711_100000742655 [0,2,0,0,0,0|0,0,2]=4 7943 B17R0.195 CCCCCCCCCCOC/C=C/C(=O)OC 7a_100000210711_100000742655 [0,2,0,0,0,0|0,0,2]=4 7944 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 34a_100000210711_100000741757 [0,2,0,0,0,0|1,0,0]=3 7945 B17R0.195 CCCCCCCCCCOCCCC(=O)NC 7a_100000210711_100000741757 [0,2,0,0,0,0|1,0,0]=3 7946 B17R0.195 CCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210320 [0,2,0,0,0,0|1,0,0]=3 7947 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [0,2,0,0,0,0|0,0,0]=2 7948 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [0,2,0,0,0,0|0,0,0]=2 7949 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210320 [0,2,0,0,0,0|2,0,0]=4 7950 B17R0.195 CCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210320 [0,2,0,0,0,0|2,0,0]=4 7951 B17R0.195 CCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210320 [0,2,0,0,0,0|1,0,0]=3 7952 B17R0.195 CCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210320 [0,2,0,0,0,0|2,0,0]=4 7953 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 34a_100000210711_200011997002 [0,2,0,0,0,0|2,0,0]=4 7954 B17R0.195 CCCCCCCCCCOCCOC(=O)NC 7a_100000210711_200011997002 [0,2,0,0,0,0|2,0,0]=4 7955 B17R0.195 CCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210320 [0,2,0,0,0,0|1,0,0]=3 7956 B17R0.195 CCCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210320 [0,2,0,0,0,0|0,0,2]=4 7957 B17R0.195 CCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210320 [0,2,0,0,0,0|1,0,0]=3 7958 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [0,2,0,0,0,0|0,0,0]=2 7959 B17R0.195 CCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210320 [0,2,0,0,0,0|2,0,0]=4 7960 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [0,2,0,0,0,0|0,0,0]=2 7961 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [0,2,0,0,0,0|0,0,0]=2 7962 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [0,2,0,0,0,0|1,0,0]=3 7963 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [0,2,0,0,0,0|1,0,0]=3 7964 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [0,2,0,0,0,0|0,0,0]=2 7965 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [0,2,0,0,0,0|0,0,0]=2 7966 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [0,2,0,0,0,0|0,0,0]=2 7967 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [0,2,0,0,0,0|0,0,0]=2 7968 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [0,2,0,0,0,0|1,0,0]=3 7969 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [0,2,0,0,0,0|1,0,0]=3 7970 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [0,2,0,0,0,0|0,0,0]=2 7971 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [0,2,0,0,0,0|1,0,0]=3 7972 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [0,2,0,0,0,0|0,0,0]=2 7973 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [0,2,0,0,0,0|0,0,0]=2 7974 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [0,2,0,0,0,0|0,0,0]=2 7975 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [0,2,0,0,0,0|0,0,0]=2 7976 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [0,2,0,0,0,0|0,0,0]=2 7977 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [0,2,0,0,0,0|0,0,0]=2 7978 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [0,2,0,0,0,0|0,0,0]=2 7979 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [0,2,0,0,0,0|0,0,0]=2 7980 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [0,2,0,0,0,0|0,0,0]=2 7981 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [0,2,0,0,0,0|0,0,0]=2 7982 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [0,2,0,0,0,0|0,0,0]=2 7983 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [0,2,0,0,0,0|0,0,0]=2 7984 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [0,2,0,0,0,0|0,0,0]=2 7985 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [0,2,0,0,0,0|0,0,0]=2 7986 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [0,2,0,0,0,0|0,0,0]=2 7987 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [0,2,0,0,0,0|0,0,0]=2 7988 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [0,2,0,0,0,0|0,0,0]=2 7989 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [0,2,0,0,0,0|0,0,0]=2 7990 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [0,2,0,0,0,0|0,0,0]=2 7991 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [0,2,0,0,0,0|0,0,0]=2 7992 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 34a_100000691444_100000204269 [0,2,0,0,0,0|1,0,0]=3 7993 B17R0.195 CCCCCCOCCOCCCCC(=O)OC 7a_100000691444_100000204269 [0,2,0,0,0,0|1,0,0]=3 7994 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 34a_100000032842_100000747449 [0,2,0,0,0,0|2,0,0]=4 7995 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 34a_100000691444_100000090808 [0,2,0,0,0,0|2,0,0]=4 7996 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 34a_100011023656_100000210314 [0,2,0,0,0,0|2,0,0]=4 7997 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 7a_100000032842_100000747449 [0,2,0,0,0,0|2,0,0]=4 7998 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 7a_100000691444_100000090808 [0,2,0,0,0,0|2,0,0]=4 7999 B17R0.195 CCCCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210314 [0,2,0,0,0,0|2,0,0]=4 8000 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [0,2,0,0,0,0|0,0,0]=2 8001 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [0,2,0,0,0,0|0,0,0]=2 8002 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [0,2,0,0,0,0|0,0,0]=2 8003 B17R0.195 CCCCCNCCOCCCCCC(=O)OC 34a_100000224656_100009816466 [0,2,0,0,0,0|1,0,0]=3 8004 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [0,2,0,0,0,0|0,0,0]=2 8005 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [0,2,0,0,0,0|0,0,0]=2 8006 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [0,2,0,0,0,0|0,0,0]=2 8007 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [0,2,0,0,0,0|0,0,0]=2 8008 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 34a_100011215259_100009816466 [0,2,0,0,0,0|1,0,0]=3 8009 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 7a_100011215259_100009816466 [0,2,0,0,0,0|1,0,0]=3 8010 B17R0.195 CCCCCOCCOCCOCCC(=O)OC 34a_100010982084_100000718602 [0,2,0,0,0,0|2,0,0]=4 8011 B17R0.195 CCCCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210326 [0,2,0,0,0,0|2,0,0]=4 8012 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [0,2,0,0,0,0|0,0,0]=2 8013 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [0,2,0,0,0,0|0,0,0]=2 8014 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [0,2,0,0,0,0|0,0,0]=2 8015 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [0,2,0,0,0,0|0,0,0]=2 8016 B17R0.195 CCCCNCCCCOCCCCC(=O)OC 34a_200011216965_100000204269 [0,2,0,0,0,0|1,0,0]=3 8017 B17R0.195 CCCCNCCCCOCCOCC(=O)OC 34a_200011216965_100000090808 [0,2,0,0,0,0|2,0,0]=4 8018 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [0,2,0,0,0,0|0,0,0]=2 8019 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [0,2,0,0,0,0|0,0,0]=2 8020 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 34a_200000760531_100000204269 [0,2,0,0,0,0|1,0,0]=3 8021 B17R0.195 CCCCOCCCCOCCCCC(=O)OC 7a_200000760531_100000204269 [0,2,0,0,0,0|1,0,0]=3 8022 B17R0.195 CCCCOCCCCOCCOCC(=O)OC 34a_200000760531_100000090808 [0,2,0,0,0,0|2,0,0]=4 8023 B17R0.195 CCCCOCCCCOCCOCC(=O)OC 7a_200000760531_100000090808 [0,2,0,0,0,0|2,0,0]=4 8024 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 2230a_200000211371_100009816466 [0,2,0,0,0,0|1,0,0]=3 8025 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 34a_200000211371_100009816466 [0,2,0,0,0,0|1,0,0]=3 8026 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 34a_200011215613_100009816466 [0,2,0,0,0,0|1,0,0]=3 8027 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 7a_200011215613_100009816466 [0,2,0,0,0,0|1,0,0]=3 8028 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 34a_100000210238_100009815986 [0,2,0,0,0,0|1,0,0]=3 8029 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 34a_100009863599_100000743108 [0,2,0,0,0,0|1,0,0]=3 8030 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 7a_100000210238_100009815986 [0,2,0,0,0,0|1,0,0]=3 8031 B17R0.195 CCCCOCCOCCCCCCC(=O)OC 7a_100009863599_100000743108 [0,2,0,0,0,0|1,0,0]=3 8032 B17R0.195 CCCCOCCOCCOCCCC(=O)OC 34a_100011215186_100000742333 [0,2,0,0,0,0|2,0,0]=4 8033 B17R0.195 CCCCOCCOCCOCCCC(=O)OC 7a_100011215186_100011218270 [0,2,0,0,0,0|2,0,0]=4 8034 B17R0.195 CCCCOCCSCCCCCCC(=O)OC 62a_100000743108_100009815986 [0,2,0,0,0,0|1,0,0]=3 8035 B17R0.195 CCCCOCCSCCCCCCC(=O)OC 62a_100009815986_100000743108 [0,2,0,0,0,0|1,0,0]=3 8036 B17R0.195 CCCCOCOCCCCCCCC(=O)OC 34a_100011022521_100011995733 [0,2,0,0,0,0|1,0,0]=3 8037 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100010004213_100011995733 [0,2,0,0,0,0|1,0,0]=3 8038 B17R0.195 CCCCOCSCCCCCCCC(=O)OC 62a_100011995733_100010004213 [0,2,0,0,0,0|1,0,0]=3 8039 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [0,2,0,0,0,0|0,0,0]=2 8040 B17R0.195 CCCCSCCNCCCCCCC(=O)OC 2230a_100025743550_100009815986 [0,2,0,0,0,0|1,0,0]=3 8041 B17R0.195 CCCCSCCOCCCCCCC(=O)OC 34a_200000230436_100009815986 [0,2,0,0,0,0|1,0,0]=3 8042 B17R0.195 CCCCSCCOCCCCCCC(=O)OC 7a_200000230436_100009815986 [0,2,0,0,0,0|1,0,0]=3 8043 B17R0.195 CCCNN=CCCCCCCCCC(=O)OC 4a_100000740057_200010166605 [0,2,0,0,0,0|1,0,1]=4 8044 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [0,2,0,0,0,0|0,0,0]=2 8045 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [0,2,0,0,0,0|0,0,0]=2 8046 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [0,2,0,0,0,0|0,0,0]=2 8047 B17R0.195 CCCOCCCNCCCCCCC(=O)OC 2230a_100011217757_100009815986 [0,2,0,0,0,0|1,0,0]=3 8048 B17R0.195 CCCOCCCNCCCCCCC(=O)OC 34a_100011217757_100009815986 [0,2,0,0,0,0|1,0,0]=3 8049 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 2230a_100161115042_100010004213 [0,2,0,0,0,0|1,0,0]=3 8050 B17R0.195 CCCOCCNCCCCCCCC(=O)OC 34a_100161115042_100010004213 [0,2,0,0,0,0|1,0,0]=3 8051 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100000752267_100010004213 [0,2,0,0,0,0|1,0,0]=3 8052 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100011215938 [0,2,0,0,0,0|1,0,0]=3 8053 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100000752267_100010004213 [0,2,0,0,0,0|1,0,0]=3 8054 B17R0.195 CCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215938 [0,2,0,0,0,0|1,0,0]=3 8055 B17R0.195 CCCOCCOCCNCCCCC(=O)OC 2230a_200011904461_100000204269 [0,2,0,0,0,0|2,0,0]=4 8056 B17R0.195 CCCOCCOCCNCCCCC(=O)OC 34a_200011904461_100000204269 [0,2,0,0,0,0|2,0,0]=4 8057 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215938 [0,2,0,0,0,0|1,0,0]=3 8058 B17R0.195 CCCOCCSCCCCCCCC(=O)OC 62a_100011215938_100010004213 [0,2,0,0,0,0|1,0,0]=3 8059 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [0,2,0,0,0,0|0,0,0]=2 8060 B17R0.195 CCCSCCNCCCCCCCC(=O)OC 2230a_100020603323_100010004213 [0,2,0,0,0,0|1,0,0]=3 8061 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 34a_200000230433_100010004213 [0,2,0,0,0,0|1,0,0]=3 8062 B17R0.195 CCCSCCOCCCCCCCC(=O)OC 7a_200000230433_100010004213 [0,2,0,0,0,0|1,0,0]=3 8063 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [0,2,0,0,0,0|0,0,0]=2 8064 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [0,2,0,0,0,0|0,0,0]=2 8065 B17R0.195 CCOCCCCCCCCCOCC(=O)CC 7a_100009875440_100000747405 [0,2,0,0,0,0|2,0,0]=4 8066 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 34a_100009875440_100000183359 [0,2,0,0,0,0|2,0,0]=4 8067 B17R0.195 CCOCCCCCCCCCOCC(=O)NC 7a_100009875440_100000183359 [0,2,0,0,0,0|2,0,0]=4 8068 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 34a_100009875440_100000747449 [0,2,0,0,0,0|1,0,0]=3 8069 B17R0.195 CCOCCCCCCCCCOCC(=O)OC 7a_100009875440_100000747449 [0,2,0,0,0,0|1,0,0]=3 8070 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 2230a_100000210961_100010004213 [0,2,0,0,0,0|1,0,0]=3 8071 B17R0.195 CCOCCCNCCCCCCCC(=O)OC 34a_100000210961_100010004213 [0,2,0,0,0,0|1,0,0]=3 8072 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100000757476_100010004213 [0,2,0,0,0,0|1,0,0]=3 8073 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 34a_100011022521_100012232248 [0,2,0,0,0,0|1,0,0]=3 8074 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100000757476_100010004213 [0,2,0,0,0,0|1,0,0]=3 8075 B17R0.195 CCOCCCOCCCCCCCC(=O)OC 7a_100011022521_100012232248 [0,2,0,0,0,0|1,0,0]=3 8076 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100010004213_100012232248 [0,2,0,0,0,0|1,0,0]=3 8077 B17R0.195 CCOCCCSCCCCCCCC(=O)OC 62a_100012232248_100010004213 [0,2,0,0,0,0|1,0,0]=3 8078 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 2230a_102516460346_100010282707 [0,2,0,0,0,0|1,0,0]=3 8079 B17R0.195 CCOCCNCCCCCCCCC(=O)OC 34a_102516460346_100010282707 [0,2,0,0,0,0|1,0,0]=3 8080 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210147 [0,2,0,0,0,0|1,0,0]=3 8081 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 34a_100000210136_100010282707 [0,2,0,0,0,0|1,0,0]=3 8082 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215890 [0,2,0,0,0,0|1,0,0]=3 8083 B17R0.195 CCOCCOCCCCCCCCC(=O)OC 7a_100000210136_100010282707 [0,2,0,0,0,0|1,0,0]=3 8084 B17R0.195 CCOCCOCCNCCCCCC(=O)OC 2230a_100102712874_100009816466 [0,2,0,0,0,0|2,0,0]=4 8085 B17R0.195 CCOCCOCCNCCCCCC(=O)OC 34a_100102712874_100009816466 [0,2,0,0,0,0|2,0,0]=4 8086 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 34a_100000074720_100011211534 [0,2,0,0,0,0|2,0,0]=4 8087 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 34a_100000210240_100009816466 [0,2,0,0,0,0|2,0,0]=4 8088 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 7a_100000074720_100011211534 [0,2,0,0,0,0|2,0,0]=4 8089 B17R0.195 CCOCCOCCOCCCCCC(=O)OC 7a_100000210240_100009816466 [0,2,0,0,0,0|2,0,0]=4 8090 B17R0.195 CCOCCOCCSCCCCCC(=O)OC 62a_100009816466_100011211534 [0,2,0,0,0,0|2,0,0]=4 8091 B17R0.195 CCOCCOCCSCCCCCC(=O)OC 62a_100011211534_100009816466 [0,2,0,0,0,0|2,0,0]=4 8092 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100000210147_100010282707 [0,2,0,0,0,0|1,0,0]=3 8093 B17R0.195 CCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215890 [0,2,0,0,0,0|1,0,0]=3 8094 B17R0.195 CCOCSCCCCCCCCCC(=O)OC 62a_100000739092_100009813843 [0,2,0,0,0,0|1,0,0]=3 8095 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [0,2,0,0,0,0|0,0,0]=2 8096 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 34a_100011216438_100010004213 [0,2,0,0,0,0|1,0,0]=3 8097 B17R0.195 CCSCCCOCCCCCCCC(=O)OC 7a_100011216438_100010004213 [0,2,0,0,0,0|1,0,0]=3 8098 B17R0.195 CCSCCNCCCCCCCCC(=O)OC 2230a_100000106463_100010282707 [0,2,0,0,0,0|1,0,0]=3 8099 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000035544_100000757381 [0,2,0,0,0,0|1,0,0]=3 8100 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 34a_100000212035_100010282707 [0,2,0,0,0,0|1,0,0]=3 8101 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000035544_100000757381 [0,2,0,0,0,0|1,0,0]=3 8102 B17R0.195 CCSCCOCCCCCCCCC(=O)OC 7a_100000212035_100010282707 [0,2,0,0,0,0|1,0,0]=3 8103 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100000757381_100010282707 [0,2,0,0,0,0|1,0,0]=3 8104 B17R0.195 CCSCCSCCCCCCCCC(=O)OC 62a_100010282707_100000757381 [0,2,0,0,0,0|1,0,0]=3 8105 B17R0.195 CNC(=O)CCCCCCCCCCCCCO 240690a_100102657272_100020644313 [0,2,0,0,0,0|1,0,0]=3 8106 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100000741757 [0,2,0,0,0,0|2,0,0]=4 8107 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 2230a_100000740002_100009813782 [0,2,0,0,0,0|2,0,0]=4 8108 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000741757 [0,2,0,0,0,0|2,0,0]=4 8109 B17R0.195 CNC(=O)CCCNCCCCCCCCCO 34a_100000740002_100009813782 [0,2,0,0,0,0|2,0,0]=4 8110 B17R0.195 CNC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000741757 [0,2,0,0,0,0|2,0,0]=4 8111 B17R0.195 CNC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100000741757 [0,2,0,0,0,0|2,0,0]=4 8112 B17R0.195 CNC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000741757 [0,2,0,0,0,0|2,0,0]=4 8113 B17R0.195 CNC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100000741757 [0,2,0,0,0,0|2,0,0]=4 8114 B17R0.195 CNC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000741757 [0,2,0,0,0,0|2,0,0]=4 8115 B17R0.195 CNC(=O)CCCSCCCCCCCCCO 62a_100000741757_100009813782 [0,2,0,0,0,0|2,0,0]=4 8116 B17R0.195 CNC(=O)CCCSCCCCCCCCCO 62a_100009813782_100000741757 [0,2,0,0,0,0|2,0,0]=4 8117 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000737683 [0,2,0,0,0,0|2,0,0]=4 8118 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 2230a_100000738227_100009813290 [0,2,0,0,0,0|2,0,0]=4 8119 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 34a_100000066964_100012179268 [0,2,0,0,0,0|2,0,0]=4 8120 B17R0.195 CNC(=O)CCNCCCCCCCCCCO 34a_100000738227_100009813290 [0,2,0,0,0,0|2,0,0]=4 8121 B17R0.195 CNC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100012179268 [0,2,0,0,0,0|2,0,0]=4 8122 B17R0.195 CNC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000737683 [0,2,0,0,0,0|2,0,0]=4 8123 B17R0.195 CNC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100012179268 [0,2,0,0,0,0|2,0,0]=4 8124 B17R0.195 CNC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000737683 [0,2,0,0,0,0|2,0,0]=4 8125 B17R0.195 CNC(=O)CCOCCCCCCCCCCN 34a_100000066964_100012179268 [0,2,0,0,0,0|2,0,0]=4 8126 B17R0.195 CNC(=O)CCOCCCCCCCCCCO 34a_100000754576_100009813290 [0,2,0,0,0,0|2,0,0]=4 8127 B17R0.195 CNC(=O)CCSCCCCCCCCCCO 62a_100000737683_200000033068 [0,2,0,0,0,0|2,0,0]=4 8128 B17R0.195 CNC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000737683 [0,2,0,0,0,0|2,0,0]=4 8129 B17R0.195 CNC(=O)CNCCCCCCCCCCCO 2230a_100000693194_100009812471 [0,2,0,0,0,0|2,0,0]=4 8130 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000183359 [0,2,0,0,0,0|2,0,0]=4 8131 B17R0.195 CNC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000183359 [0,2,0,0,0,0|2,0,0]=4 8132 B17R0.195 CNC(=O)COCCCCCCCCCCCO 34a_100000750040_100009812471 [0,2,0,0,0,0|2,0,0]=4 8133 B17R0.195 CNC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000183359 [0,2,0,0,0,0|2,0,0]=4 8134 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100000066677_106832991635 [0,2,0,0,0,0|2,0,0]=4 8135 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 2708a_100102657272_100000066677 [0,2,0,0,0,0|2,0,0]=4 8136 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100000066677_100102657272 [0,2,0,0,0,0|2,0,0]=4 8137 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 273464a_100102657272_100000066677 [0,2,0,0,0,0|2,0,0]=4 8138 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_100000066677_100102657272 [0,2,0,0,0,0|2,0,0]=4 8139 B17R0.195 CNC(=O)NCCCCCCCCCCCCO 512a_106832991638_100000066677 [0,2,0,0,0,0|2,0,0]=4 8140 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [0,2,0,0,0,0|0,0,0]=2 8141 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [0,2,0,0,0,0|0,0,0]=2 8142 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [0,2,0,0,0,0|0,0,0]=2 8143 B17R0.195 CNCCCCCOCCCCCCC(=O)OC 34a_100000722520_100009815986 [0,2,0,0,0,0|1,0,0]=3 8144 B17R0.195 CNCCCOCCCCCCCCC(=O)OC 34a_100000213112_100010282707 [0,2,0,0,0,0|1,0,0]=3 8145 B17R0.195 CNCCOCCOCCCCCCC(=O)OC 34a_100000228057_100009815986 [0,2,0,0,0,0|2,0,0]=4 8146 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [0,2,0,0,0,0|0,0,0]=2 8147 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [0,2,0,0,0,0|0,0,0]=2 8148 B17R0.195 COC(=O)CCCCCCCCCCCSCF 62a_100015361967_100010983606 [0,2,0,0,0,0|1,0,0]=3 8149 B17R0.195 COC(=O)CCCCCCCCCCNCCF 34a_100000724931_100009812566 [0,2,0,0,0,0|1,0,0]=3 8150 B17R0.195 COC(=O)CCCCCCCCCCNCCO 2230a_100016997473_100009812566 [0,2,0,0,0,0|1,0,0]=3 8151 B17R0.195 COC(=O)CCCCCCCCCCNCCO 34a_100016990907_100009812566 [0,2,0,0,0,0|1,0,0]=3 8152 B17R0.195 COC(=O)CCCCCCCCCCOCC#N 7a_100011003013_100011215382 [0,2,0,0,0,0|1,0,1]=4 8153 B17R0.195 COC(=O)CCCCCCCCCCOCC=O 34a_100011003013_200009817547 [0,2,0,0,0,0|1,0,1]=4 8154 B17R0.195 COC(=O)CCCCCCCCCCOCC=O 7a_100011003013_200015260668 [0,2,0,0,0,0|1,0,1]=4 8155 B17R0.195 COC(=O)CCCCCCCCCCOCCBr 34a_100000211926_100009812566 [0,2,0,0,0,0|1,0,0]=3 8156 B17R0.195 COC(=O)CCCCCCCCCCOCCF 34a_100011003013_100011217306 [0,2,0,0,0,0|1,0,0]=3 8157 B17R0.195 COC(=O)CCCCCCCCCCOCCF 7a_100011003013_100011217306 [0,2,0,0,0,0|1,0,0]=3 8158 B17R0.195 COC(=O)CCCCCCCCCCOCCN 34a_100000210304_100009812566 [0,2,0,0,0,0|1,0,0]=3 8159 B17R0.195 COC(=O)CCCCCCCCCCOCCO 34a_100011003013_100000211926 [0,2,0,0,0,0|1,0,0]=3 8160 B17R0.195 COC(=O)CCCCCCCCCCOCCO 7a_100011003013_100000211926 [0,2,0,0,0,0|1,0,0]=3 8161 B17R0.195 COC(=O)CCCCCCCCCCOCSC 34a_100011003013_100011218213 [0,2,0,0,0,0|1,0,0]=3 8162 B17R0.195 COC(=O)CCCCCCCCCCSCC#N 62a_100011215382_100009812566 [0,2,0,0,0,0|1,0,1]=4 8163 B17R0.195 COC(=O)CCCCCCCCCCSCC=O 62a_200015260668_100009812566 [0,2,0,0,0,0|1,0,1]=4 8164 B17R0.195 COC(=O)CCCCCCCCCCSCCF 62a_100011217306_100009812566 [0,2,0,0,0,0|1,0,0]=3 8165 B17R0.195 COC(=O)CCCCCCCCCCSCCO 62a_100000211926_100009812566 [0,2,0,0,0,0|1,0,0]=3 8166 B17R0.195 COC(=O)CCCCCCCCCCSCSC 62a_100011218213_100009812566 [0,2,0,0,0,0|1,0,0]=3 8167 B17R0.195 COC(=O)CCCCCCCCCNCCCF 2230a_100015189416_100009813843 [0,2,0,0,0,0|1,0,0]=3 8168 B17R0.195 COC(=O)CCCCCCCCCNCCCF 34a_100015189416_100009813843 [0,2,0,0,0,0|1,0,0]=3 8169 B17R0.195 COC(=O)CCCCCCCCCNCCSC 2230a_100020590264_100009813843 [0,2,0,0,0,0|1,0,0]=3 8170 B17R0.195 COC(=O)CCCCCCCCCOCCCBr 34a_100011217188_100009813843 [0,2,0,0,0,0|1,0,0]=3 8171 B17R0.195 COC(=O)CCCCCCCCCOCCCCl 34a_100000230001_100009813843 [0,2,0,0,0,0|1,0,0]=3 8172 B17R0.195 COC(=O)CCCCCCCCCOCCCF 34a_100000759539_100009813843 [0,2,0,0,0,0|1,0,0]=3 8173 B17R0.195 COC(=O)CCCCCCCCCOCCCN 34a_100000182051_100009813843 [0,2,0,0,0,0|1,0,0]=3 8174 B17R0.195 COC(=O)CCCCCCCCCOCCON 34a_100000700252_100009813843 [0,2,0,0,0,0|2,0,0]=4 8175 B17R0.195 COC(=O)CCCCCCCCCOCCSC 34a_100000230434_100009813843 [0,2,0,0,0,0|1,0,0]=3 8176 B17R0.195 COC(=O)CCCCCCCCCOCCSC 7a_100000230434_100009813843 [0,2,0,0,0,0|1,0,0]=3 8177 B17R0.195 COC(=O)CCCCCCCCCSCCC#N 62a_100011215226_100009813843 [0,2,0,0,0,0|1,0,1]=4 8178 B17R0.195 COC(=O)CCCCCCCCCSCCCF 62a_100011934791_100009813843 [0,2,0,0,0,0|1,0,0]=3 8179 B17R0.195 COC(=O)CCCCCCCCCSCCCO 62a_100011215043_100009813843 [0,2,0,0,0,0|1,0,0]=3 8180 B17R0.195 COC(=O)CCCCCCCCCSCCSC 62a_100000212216_100009813843 [0,2,0,0,0,0|1,0,0]=3 8181 B17R0.195 COC(=O)CCCCCCCCNCCCCO 2230a_100000750430_100010282707 [0,2,0,0,0,0|1,0,0]=3 8182 B17R0.195 COC(=O)CCCCCCCCNCCCCO 34a_100000750430_100010282707 [0,2,0,0,0,0|1,0,0]=3 8183 B17R0.195 COC(=O)CCCCCCCCNCCCSC 2230a_100000749238_100010282707 [0,2,0,0,0,0|1,0,0]=3 8184 B17R0.195 COC(=O)CCCCCCCCOCCCC#N 7a_100000035544_100000687738 [0,2,0,0,0,0|1,0,1]=4 8185 B17R0.195 COC(=O)CCCCCCCCOCCCC=O 7a_100000035544_200011292268 [0,2,0,0,0,0|1,0,1]=4 8186 B17R0.195 COC(=O)CCCCCCCCOCCCCBr 34a_100011216708_100010282707 [0,2,0,0,0,0|1,0,0]=3 8187 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 34a_100000210776_100010282707 [0,2,0,0,0,0|1,0,0]=3 8188 B17R0.195 COC(=O)CCCCCCCCOCCCCCl 7a_100000210776_100010282707 [0,2,0,0,0,0|1,0,0]=3 8189 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100000035544_100000729493 [0,2,0,0,0,0|1,0,0]=3 8190 B17R0.195 COC(=O)CCCCCCCCOCCCCF 34a_100011995726_100010282707 [0,2,0,0,0,0|1,0,0]=3 8191 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100000035544_100000729493 [0,2,0,0,0,0|1,0,0]=3 8192 B17R0.195 COC(=O)CCCCCCCCOCCCCF 7a_100011995726_100010282707 [0,2,0,0,0,0|1,0,0]=3 8193 B17R0.195 COC(=O)CCCCCCCCOCCCCI 34a_200012148704_100010282707 [0,2,0,0,0,0|1,0,0]=3 8194 B17R0.195 COC(=O)CCCCCCCCOCCCCN 34a_100000750430_100010282707 [0,2,0,0,0,0|1,0,0]=3 8195 B17R0.195 COC(=O)CCCCCCCCOCCCCO 34a_100000035544_100011216708 [0,2,0,0,0,0|1,0,0]=3 8196 B17R0.195 COC(=O)CCCCCCCCOCCCCO 7a_100000035544_100000210776 [0,2,0,0,0,0|1,0,0]=3 8197 B17R0.195 COC(=O)CCCCCCCCOCCCSC 34a_100000690336_100010282707 [0,2,0,0,0,0|1,0,0]=3 8198 B17R0.195 COC(=O)CCCCCCCCOCCCSC 7a_100000690336_100010282707 [0,2,0,0,0,0|1,0,0]=3 8199 B17R0.195 COC(=O)CCCCCCCCSCCCC#N 62a_100000687738_100010282707 [0,2,0,0,0,0|1,0,1]=4 8200 B17R0.195 COC(=O)CCCCCCCCSCCCC#N 62a_100010282707_100000687738 [0,2,0,0,0,0|1,0,1]=4 8201 B17R0.195 COC(=O)CCCCCCCCSCCCC=O 62a_100010282707_200011292268 [0,2,0,0,0,0|1,0,1]=4 8202 B17R0.195 COC(=O)CCCCCCCCSCCCC=O 62a_200011292268_100010282707 [0,2,0,0,0,0|1,0,1]=4 8203 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100000729493_100010282707 [0,2,0,0,0,0|1,0,0]=3 8204 B17R0.195 COC(=O)CCCCCCCCSCCCCF 62a_100010282707_100000729493 [0,2,0,0,0,0|1,0,0]=3 8205 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100000210776_100010282707 [0,2,0,0,0,0|1,0,0]=3 8206 B17R0.195 COC(=O)CCCCCCCCSCCCCO 62a_100010282707_100000210776 [0,2,0,0,0,0|1,0,0]=3 8207 B17R0.195 COC(=O)CCCCCCCNCCCCCO 2230a_100000762737_100010004213 [0,2,0,0,0,0|1,0,0]=3 8208 B17R0.195 COC(=O)CCCCCCCNCCCCCO 34a_100000762737_100010004213 [0,2,0,0,0,0|1,0,0]=3 8209 B17R0.195 COC(=O)CCCCCCCNCCOCCO 2230a_100000211614_100010004213 [0,2,0,0,0,0|2,0,0]=4 8210 B17R0.195 COC(=O)CCCCCCCNCCOCCO 34a_100000211614_100010004213 [0,2,0,0,0,0|2,0,0]=4 8211 B17R0.195 COC(=O)CCCCCCCNCCSCCO 2230a_100011219999_100010004213 [0,2,0,0,0,0|2,0,0]=4 8212 B17R0.195 COC(=O)CCCCCCCOCCCCC#N 7a_100011022521_100000211819 [0,2,0,0,0,0|1,0,1]=4 8213 B17R0.195 COC(=O)CCCCCCCOCCCCC=O 7a_100011022521_100000139335 [0,2,0,0,0,0|1,0,1]=4 8214 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 34a_100000746331_100010004213 [0,2,0,0,0,0|1,0,0]=3 8215 B17R0.195 COC(=O)CCCCCCCOCCCCCBr 7a_100000746331_100010004213 [0,2,0,0,0,0|1,0,0]=3 8216 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 34a_100000746330_100010004213 [0,2,0,0,0,0|1,0,0]=3 8217 B17R0.195 COC(=O)CCCCCCCOCCCCCCl 7a_100000746330_100010004213 [0,2,0,0,0,0|1,0,0]=3 8218 B17R0.195 COC(=O)CCCCCCCOCCCCCF 34a_100011022521_100000729378 [0,2,0,0,0,0|1,0,0]=3 8219 B17R0.195 COC(=O)CCCCCCCOCCCCCF 7a_100011022521_100000729378 [0,2,0,0,0,0|1,0,0]=3 8220 B17R0.195 COC(=O)CCCCCCCOCCCCCI 34a_200012148887_100010004213 [0,2,0,0,0,0|1,0,0]=3 8221 B17R0.195 COC(=O)CCCCCCCOCCCCCI 7a_200012148887_100010004213 [0,2,0,0,0,0|1,0,0]=3 8222 B17R0.195 COC(=O)CCCCCCCOCCCCCN 34a_100000762737_100010004213 [0,2,0,0,0,0|1,0,0]=3 8223 B17R0.195 COC(=O)CCCCCCCOCCCCCO 34a_100011022521_100000746330 [0,2,0,0,0,0|1,0,0]=3 8224 B17R0.195 COC(=O)CCCCCCCOCCCCCO 7a_100011022521_100000746330 [0,2,0,0,0,0|1,0,0]=3 8225 B17R0.195 COC(=O)CCCCCCCOCCCCSC 34a_100011217163_100010004213 [0,2,0,0,0,0|1,0,0]=3 8226 B17R0.195 COC(=O)CCCCCCCOCCCCSC 7a_100011217163_100010004213 [0,2,0,0,0,0|1,0,0]=3 8227 B17R0.195 COC(=O)CCCCCCCOCCOCCBr 34a_100000692535_100010004213 [0,2,0,0,0,0|2,0,0]=4 8228 B17R0.195 COC(=O)CCCCCCCOCCOCCBr 7a_100000692535_100010004213 [0,2,0,0,0,0|2,0,0]=4 8229 B17R0.195 COC(=O)CCCCCCCOCCOCCCl 34a_100011215305_100010004213 [0,2,0,0,0,0|2,0,0]=4 8230 B17R0.195 COC(=O)CCCCCCCOCCOCCCl 7a_100011215305_100010004213 [0,2,0,0,0,0|2,0,0]=4 8231 B17R0.195 COC(=O)CCCCCCCOCCOCCF 34a_200015357709_100010004213 [0,2,0,0,0,0|2,0,0]=4 8232 B17R0.195 COC(=O)CCCCCCCOCCOCCF 7a_200015357709_100010004213 [0,2,0,0,0,0|2,0,0]=4 8233 B17R0.195 COC(=O)CCCCCCCOCCOCCI 34a_100012149058_100010004213 [0,2,0,0,0,0|2,0,0]=4 8234 B17R0.195 COC(=O)CCCCCCCOCCOCCI 7a_100012149058_100010004213 [0,2,0,0,0,0|2,0,0]=4 8235 B17R0.195 COC(=O)CCCCCCCOCCOCCN 34a_100000211614_100010004213 [0,2,0,0,0,0|2,0,0]=4 8236 B17R0.195 COC(=O)CCCCCCCOCCOCCO 34a_100011022521_100000692535 [0,2,0,0,0,0|2,0,0]=4 8237 B17R0.195 COC(=O)CCCCCCCOCCOCCO 7a_100011022521_100011215305 [0,2,0,0,0,0|2,0,0]=4 8238 B17R0.195 COC(=O)CCCCCCCSCCCCC#N 62a_100010004213_100000211819 [0,2,0,0,0,0|1,0,1]=4 8239 B17R0.195 COC(=O)CCCCCCCSCCCCC#N 62a_100011219923_100010004213 [0,2,0,0,0,0|1,0,1]=4 8240 B17R0.195 COC(=O)CCCCCCCSCCCCC=O 62a_100000139335_100010004213 [0,2,0,0,0,0|1,0,1]=4 8241 B17R0.195 COC(=O)CCCCCCCSCCCCC=O 62a_100010004213_100000139335 [0,2,0,0,0,0|1,0,1]=4 8242 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100000729378_100010004213 [0,2,0,0,0,0|1,0,0]=3 8243 B17R0.195 COC(=O)CCCCCCCSCCCCCF 62a_100010004213_100000729378 [0,2,0,0,0,0|1,0,0]=3 8244 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100000746330_100010004213 [0,2,0,0,0,0|1,0,0]=3 8245 B17R0.195 COC(=O)CCCCCCCSCCCCCO 62a_100010004213_100000746330 [0,2,0,0,0,0|1,0,0]=3 8246 B17R0.195 COC(=O)CCCCCCCSCCOCCO 62a_100010004213_100011215305 [0,2,0,0,0,0|2,0,0]=4 8247 B17R0.195 COC(=O)CCCCCCCSCCOCCO 62a_100011215305_100010004213 [0,2,0,0,0,0|2,0,0]=4 8248 B17R0.195 COC(=O)CCCCCCNCCCCCCO 2230a_100000686447_100009815986 [0,2,0,0,0,0|1,0,0]=3 8249 B17R0.195 COC(=O)CCCCCCNCCCCCCO 34a_100000686447_100009815986 [0,2,0,0,0,0|1,0,0]=3 8250 B17R0.195 COC(=O)CCCCCCOCCCCCC#N 7a_100009863599_100009813376 [0,2,0,0,0,0|1,0,1]=4 8251 B17R0.195 COC(=O)CCCCCCOCCCCCC=O 7a_100009863599_100000139337 [0,2,0,0,0,0|1,0,1]=4 8252 B17R0.195 COC(=O)CCCCCCOCCCCCCBr 34a_100011215345_100009815986 [0,2,0,0,0,0|1,0,0]=3 8253 B17R0.195 COC(=O)CCCCCCOCCCCCCBr 7a_100011215345_100009815986 [0,2,0,0,0,0|1,0,0]=3 8254 B17R0.195 COC(=O)CCCCCCOCCCCCCCl 34a_100000766143_100009815986 [0,2,0,0,0,0|1,0,0]=3 8255 B17R0.195 COC(=O)CCCCCCOCCCCCCCl 7a_100000766143_100009815986 [0,2,0,0,0,0|1,0,0]=3 8256 B17R0.195 COC(=O)CCCCCCOCCCCCCF 34a_100000732779_100009815986 [0,2,0,0,0,0|1,0,0]=3 8257 B17R0.195 COC(=O)CCCCCCOCCCCCCF 34a_100009863599_100015922095 [0,2,0,0,0,0|1,0,0]=3 8258 B17R0.195 COC(=O)CCCCCCOCCCCCCF 7a_100000732779_100009815986 [0,2,0,0,0,0|1,0,0]=3 8259 B17R0.195 COC(=O)CCCCCCOCCCCCCF 7a_100009863599_100015922095 [0,2,0,0,0,0|1,0,0]=3 8260 B17R0.195 COC(=O)CCCCCCOCCCCCCN 34a_100000686447_100009815986 [0,2,0,0,0,0|1,0,0]=3 8261 B17R0.195 COC(=O)CCCCCCOCCCCCCO 34a_100009863599_100000766143 [0,2,0,0,0,0|1,0,0]=3 8262 B17R0.195 COC(=O)CCCCCCOCCCCCCO 7a_100009863599_100000766143 [0,2,0,0,0,0|1,0,0]=3 8263 B17R0.195 COC(=O)CCCCCCSCCCCCC#N 62a_100009813376_100009815986 [0,2,0,0,0,0|1,0,1]=4 8264 B17R0.195 COC(=O)CCCCCCSCCCCCC#N 62a_100009815986_100009813376 [0,2,0,0,0,0|1,0,1]=4 8265 B17R0.195 COC(=O)CCCCCCSCCCCCC=O 62a_100000139337_100009815986 [0,2,0,0,0,0|1,0,1]=4 8266 B17R0.195 COC(=O)CCCCCCSCCCCCC=O 62a_100009815986_100000139337 [0,2,0,0,0,0|1,0,1]=4 8267 B17R0.195 COC(=O)CCCCCCSCCCCCCF 62a_100009815986_100015922095 [0,2,0,0,0,0|1,0,0]=3 8268 B17R0.195 COC(=O)CCCCCCSCCCCCCF 62a_100015922095_100009815986 [0,2,0,0,0,0|1,0,0]=3 8269 B17R0.195 COC(=O)CCCCCCSCCCCCCO 62a_100000766143_100009815986 [0,2,0,0,0,0|1,0,0]=3 8270 B17R0.195 COC(=O)CCCCCCSCCCCCCO 62a_100009815986_100000766143 [0,2,0,0,0,0|1,0,0]=3 8271 B17R0.195 COC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009816466 [0,2,0,0,0,0|1,0,0]=3 8272 B17R0.195 COC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009816466 [0,2,0,0,0,0|1,0,0]=3 8273 B17R0.195 COC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009816466 [0,2,0,0,0,0|2,0,0]=4 8274 B17R0.195 COC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009816466 [0,2,0,0,0,0|2,0,0]=4 8275 B17R0.195 COC(=O)CCCCCOCCCCCCC#N 7a_100000074720_100009813337 [0,2,0,0,0,0|1,0,1]=4 8276 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009816466 [0,2,0,0,0,0|1,0,0]=3 8277 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009816466 [0,2,0,0,0,0|1,0,0]=3 8278 B17R0.195 COC(=O)CCCCCOCCCCCCCN 34a_100011996573_100009816466 [0,2,0,0,0,0|1,0,0]=3 8279 B17R0.195 COC(=O)CCCCCOCCCCCCCO 34a_100000074720_100000760002 [0,2,0,0,0,0|1,0,0]=3 8280 B17R0.195 COC(=O)CCCCCOCCCCCCCO 7a_100000074720_100000760002 [0,2,0,0,0,0|1,0,0]=3 8281 B17R0.195 COC(=O)CCCCCOCCCOCCCN 34a_100011310245_100009816466 [0,2,0,0,0,0|2,0,0]=4 8282 B17R0.195 COC(=O)CCCCCSCCCCCCC#N 62a_100009813337_100009816466 [0,2,0,0,0,0|1,0,1]=4 8283 B17R0.195 COC(=O)CCCCCSCCCCCCC#N 62a_100009816466_100009813337 [0,2,0,0,0,0|1,0,1]=4 8284 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009816466 [0,2,0,0,0,0|1,0,0]=3 8285 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100009816466_100000760002 [0,2,0,0,0,0|1,0,0]=3 8286 B17R0.195 COC(=O)CCCCNCCCCCCCCO 2230a_102515433106_100000204269 [0,2,0,0,0,0|1,0,0]=3 8287 B17R0.195 COC(=O)CCCCNCCCCCCCCO 34a_102515433106_100000204269 [0,2,0,0,0,0|1,0,0]=3 8288 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100000204269 [0,2,0,0,0,0|1,0,0]=3 8289 B17R0.195 COC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000204269 [0,2,0,0,0,0|1,0,0]=3 8290 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100000204269 [0,2,0,0,0,0|1,0,0]=3 8291 B17R0.195 COC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000204269 [0,2,0,0,0,0|1,0,0]=3 8292 B17R0.195 COC(=O)CCCCOCCCCCCCCN 34a_102515433106_100000204269 [0,2,0,0,0,0|1,0,0]=3 8293 B17R0.195 COC(=O)CCCCOCCCCCCCCO 34a_100000059025_100000033203 [0,2,0,0,0,0|1,0,0]=3 8294 B17R0.195 COC(=O)CCCCOCCCCCCCCO 7a_100000059025_100000033203 [0,2,0,0,0,0|1,0,0]=3 8295 B17R0.195 COC(=O)CCCCOCCCCCNCCN 34a_103619048469_100000204269 [0,2,0,0,0,0|2,0,0]=4 8296 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000204269 [0,2,0,0,0,0|1,0,0]=3 8297 B17R0.195 COC(=O)CCCCSCCCCCCCCO 62a_100000204269_100000033203 [0,2,0,0,0,0|1,0,0]=3 8298 B17R0.195 COC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100011218270 [0,2,0,0,0,0|1,0,0]=3 8299 B17R0.195 COC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000742333 [0,2,0,0,0,0|1,0,0]=3 8300 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000742333 [0,2,0,0,0,0|1,0,0]=3 8301 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011218270 [0,2,0,0,0,0|1,0,0]=3 8302 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000742333 [0,2,0,0,0,0|1,0,0]=3 8303 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011218270 [0,2,0,0,0,0|1,0,0]=3 8304 B17R0.195 COC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000742333 [0,2,0,0,0,0|1,0,0]=3 8305 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011218270 [0,2,0,0,0,0|1,0,0]=3 8306 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100011218270_100009813782 [0,2,0,0,0,0|1,0,0]=3 8307 B17R0.195 COC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000204255 [0,2,0,0,0,0|1,0,0]=3 8308 B17R0.195 COC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000742370 [0,2,0,0,0,0|1,0,0]=3 8309 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000742370 [0,2,0,0,0,0|1,0,0]=3 8310 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000204255 [0,2,0,0,0,0|1,0,0]=3 8311 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000742370 [0,2,0,0,0,0|1,0,0]=3 8312 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000204255 [0,2,0,0,0,0|1,0,0]=3 8313 B17R0.195 COC(=O)CCOCCCCCCCCCCN 34a_100000066964_100000742370 [0,2,0,0,0,0|1,0,0]=3 8314 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100000204255_200000033068 [0,2,0,0,0,0|1,0,0]=3 8315 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000204255 [0,2,0,0,0,0|1,0,0]=3 8316 B17R0.195 COC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000747449 [0,2,0,0,0,0|1,0,0]=3 8317 B17R0.195 COC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000747449 [0,2,0,0,0,0|1,0,0]=3 8318 B17R0.195 COC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000090808 [0,2,0,0,0,0|2,0,0]=4 8319 B17R0.195 COC(=O)COCCNCCCCCCCCO 34a_102515433106_100000090808 [0,2,0,0,0,0|2,0,0]=4 8320 B17R0.195 COC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000090808 [0,2,0,0,0,0|2,0,0]=4 8321 B17R0.195 COC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000090808 [0,2,0,0,0,0|2,0,0]=4 8322 B17R0.195 COC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000090808 [0,2,0,0,0,0|2,0,0]=4 8323 B17R0.195 COC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000090808 [0,2,0,0,0,0|2,0,0]=4 8324 B17R0.195 COC(=O)COCCOCCCCCCCCN 34a_102515433106_100000090808 [0,2,0,0,0,0|2,0,0]=4 8325 B17R0.195 COC(=O)COCCSCCCCCCCCO 62a_100000033203_100000090808 [0,2,0,0,0,0|2,0,0]=4 8326 B17R0.195 COC(=O)COCCSCCCCCCCCO 62a_100000090808_100000033203 [0,2,0,0,0,0|2,0,0]=4 8327 B17R0.195 COC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747449 [0,2,0,0,0,0|1,0,0]=3 8328 B17R0.195 COC(=O)NCCOCCCCCCCCCO 34a_100000757965_100009813782 [0,2,0,0,0,0|2,0,0]=4 8329 B17R0.195 COC(=O)OCCOCCCCCCCCCO 34a_100010262106_100009813782 [0,2,0,0,0,0|2,0,0]=4 8330 B17R0.195 COC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000139417 [0,2,0,0,0,0|2,0,0]=4 8331 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [0,2,0,0,0,0|0,0,0]=2 8332 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011998445 [0,2,0,0,0,0|1,0,0]=3 8333 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_200012092642_100009816466 [0,2,0,0,0,0|1,0,0]=3 8334 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_100000074720_100011998445 [0,2,0,0,0,0|1,0,0]=3 8335 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_200012092642_100009816466 [0,2,0,0,0,0|1,0,0]=3 8336 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100009816466_100011998445 [0,2,0,0,0,0|1,0,0]=3 8337 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100011998445_100009816466 [0,2,0,0,0,0|1,0,0]=3 8338 B17R0.195 COCCCCCNCCCCCCC(=O)OC 2230a_100000747528_100009815986 [0,2,0,0,0,0|1,0,0]=3 8339 B17R0.195 COCCCCCNCCCCCCC(=O)OC 34a_100000747528_100009815986 [0,2,0,0,0,0|1,0,0]=3 8340 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100000740925_100010004213 [0,2,0,0,0,0|1,0,0]=3 8341 B17R0.195 COCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000755781 [0,2,0,0,0,0|1,0,0]=3 8342 B17R0.195 COCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000730899 [0,2,0,0,0,0|1,0,0]=3 8343 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100000730899_100010004213 [0,2,0,0,0,0|1,0,0]=3 8344 B17R0.195 COCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000730899 [0,2,0,0,0,0|1,0,0]=3 8345 B17R0.195 COCCCNCCCCCCCCC(=O)OC 34a_100150723488_100010282707 [0,2,0,0,0,0|1,0,0]=3 8346 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000740836 [0,2,0,0,0,0|1,0,0]=3 8347 B17R0.195 COCCCOCCCCCCCCC(=O)OC 34a_100000740835_100010282707 [0,2,0,0,0,0|1,0,0]=3 8348 B17R0.195 COCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000740836 [0,2,0,0,0,0|1,0,0]=3 8349 B17R0.195 COCCCOCCCOCCCCC(=O)OC 34a_200011215475_100000204269 [0,2,0,0,0,0|2,0,0]=4 8350 B17R0.195 COCCCOCCCOCCCCC(=O)OC 7a_200011215475_100000204269 [0,2,0,0,0,0|2,0,0]=4 8351 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100000709357_100010282707 [0,2,0,0,0,0|1,0,0]=3 8352 B17R0.195 COCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000709357 [0,2,0,0,0,0|1,0,0]=3 8353 B17R0.195 COCCNCCCCCCCCCC(=O)OC 2230a_100000209980_100009813843 [0,2,0,0,0,0|1,0,0]=3 8354 B17R0.195 COCCOCCCCCCCCCC(=O)OC 34a_100000210237_100009813843 [0,2,0,0,0,0|1,0,0]=3 8355 B17R0.195 COCCOCCCNCCCCCC(=O)OC 2230a_100000206027_100009816466 [0,2,0,0,0,0|2,0,0]=4 8356 B17R0.195 COCCOCCCNCCCCCC(=O)OC 34a_100000206027_100009816466 [0,2,0,0,0,0|2,0,0]=4 8357 B17R0.195 COCCOCCCOCCCCCC(=O)OC 34a_100000074720_100011216529 [0,2,0,0,0,0|2,0,0]=4 8358 B17R0.195 COCCOCCCOCCCCCC(=O)OC 7a_100000074720_100011216529 [0,2,0,0,0,0|2,0,0]=4 8359 B17R0.195 COCCOCCCSCCCCCC(=O)OC 62a_100009816466_100011216529 [0,2,0,0,0,0|2,0,0]=4 8360 B17R0.195 COCCOCCCSCCCCCC(=O)OC 62a_100011216529_100009816466 [0,2,0,0,0,0|2,0,0]=4 8361 B17R0.195 COCCOCCNCCCCCCC(=O)OC 2230a_100000745349_100009815986 [0,2,0,0,0,0|2,0,0]=4 8362 B17R0.195 COCCOCCNCCCCCCC(=O)OC 34a_100000745349_100009815986 [0,2,0,0,0,0|2,0,0]=4 8363 B17R0.195 COCCOCCOCCCCCCC(=O)OC 34a_100009863599_100000695917 [0,2,0,0,0,0|2,0,0]=4 8364 B17R0.195 COCCOCCOCCCCCCC(=O)OC 34a_100011215163_100009815986 [0,2,0,0,0,0|2,0,0]=4 8365 B17R0.195 COCCOCCOCCCCCCC(=O)OC 7a_100009863599_100000695917 [0,2,0,0,0,0|2,0,0]=4 8366 B17R0.195 COCCOCCOCCCCCCC(=O)OC 7a_100011215163_100009815986 [0,2,0,0,0,0|2,0,0]=4 8367 B17R0.195 COCCOCCSCCCCCCC(=O)OC 62a_100000695917_100009815986 [0,2,0,0,0,0|2,0,0]=4 8368 B17R0.195 COCCOCCSCCCCCCC(=O)OC 62a_100009815986_100000695917 [0,2,0,0,0,0|2,0,0]=4 8369 B17R0.195 COCCOCSCCCCCCCC(=O)OC 62a_100000231047_100010004213 [0,2,0,0,0,0|2,0,0]=4 8370 B17R0.195 COCCOCSCCCCCCCC(=O)OC 62a_100010004213_100000231047 [0,2,0,0,0,0|2,0,0]=4 8371 B17R0.195 COCCSCCCCCCCCCC(=O)OC 62a_100000233755_100009813843 [0,2,0,0,0,0|1,0,0]=3 8372 B17R0.195 COCSCCCCCCCCCCC(=O)OC 62a_100000766300_100009812566 [0,2,0,0,0,0|1,0,0]=3 8373 B17R0.195 NC(=NO)CCOCCCCCCCCCCO 34a_100000749954_100009813290 [0,2,0,0,0,0|2,0,0]=4 8374 B17R0.195 NNC(=O)CCCOCCCCCCCCCO 34a_100000211488_100009813782 [0,2,0,0,0,0|2,0,0]=4 8375 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [0,2,0,0,0,0|0,0,0]=2 8376 B17R0.195 O=C(CO)NCCCCCCCCCCCCO 240690a_100000066677_100000210174 [0,2,0,0,0,0|1,0,0]=3 8377 B17R0.250 C#CCC(=O)CCCCCCCCCCCCO 1458a_100011220946_100009813331 [0,2,0,0,0,0|2,0,0]=4 8378 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100011220946 [0,2,0,0,0,0|2,0,0]=4 8379 B17R0.250 C#CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100011220946 [0,2,0,0,0,0|2,0,0]=4 8380 B17R0.250 C=CCC(=O)CCCCCCCCCCCCO 1458a_100000210193_100009813331 [0,2,0,0,0,0|2,0,0]=4 8381 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210193 [0,2,0,0,0,0|2,0,0]=4 8382 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210193 [0,2,0,0,0,0|2,0,0]=4 8383 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210193 [0,2,0,0,0,0|2,0,0]=4 8384 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100000210193 [0,2,0,0,0,0|2,0,0]=4 8385 B17R0.250 C=CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_102130925996 [0,2,0,0,0,0|0,0,2]=4 8386 B17R0.250 C=CCCCCCCCCCCCC(=O)COC 1458a_100000210968_102130925996 [0,2,0,0,0,0|0,0,2]=4 8387 B17R0.250 C=COC(=O)CNCCCCCCCCCCC 2230a_200011215754_100000036128 [0,2,0,0,0,0|1,0,0]=3 8388 B17R0.250 C=COC(=O)CNCCCCCCCCCCC 34a_200011215754_100000036128 [0,2,0,0,0,0|1,0,0]=3 8389 B17R0.250 C=COC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000036128 [0,2,0,0,0,0|2,0,0]=4 8390 B17R0.250 C=COC(=O)CNCCCCCCCCCCO 34a_100000066964_100000036128 [0,2,0,0,0,0|2,0,0]=4 8391 B17R0.250 C=COC(=O)COCCCCCCCCCCBr 34a_100009813290_100000036128 [0,2,0,0,0,0|2,0,0]=4 8392 B17R0.250 C=COC(=O)COCCCCCCCCCCC 34a_100000210809_100000036128 [0,2,0,0,0,0|1,0,0]=3 8393 B17R0.250 C=COC(=O)COCCCCCCCCCCCl 34a_200000033068_100000036128 [0,2,0,0,0,0|2,0,0]=4 8394 B17R0.250 C=COC(=O)COCCCCCCCCCCN 34a_100000066964_100000036128 [0,2,0,0,0,0|2,0,0]=4 8395 B17R0.250 C=COC(=O)CSCCCCCCCCCCC 62a_100000036128_100011215454 [0,2,0,0,0,0|1,0,0]=3 8396 B17R0.250 C=COC(=O)CSCCCCCCCCCCO 62a_100000036128_200000033068 [0,2,0,0,0,0|2,0,0]=4 8397 B17R0.250 C=COC(=O)CSCCCCCCCCCCO 62a_100009813290_100000036128 [0,2,0,0,0,0|2,0,0]=4 8398 B17R0.250 CC#CC(=O)CCCCCCCCCCCCO 1458a_100000763181_100009813331 [0,2,0,0,0,0|2,0,0]=4 8399 B17R0.250 CC=CC(=O)CCCCCCCCCCCCO 1458a_100000210699_100009813331 [0,2,0,0,0,0|2,0,0]=4 8400 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210699 [0,2,0,0,0,0|2,0,0]=4 8401 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210699 [0,2,0,0,0,0|2,0,0]=4 8402 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210699 [0,2,0,0,0,0|2,0,0]=4 8403 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [0,2,0,0,0,0|2,0,0]=4 8404 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [0,2,0,0,0,0|0,0,0]=2 8405 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [0,2,0,0,0,0|0,0,0]=2 8406 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [0,2,0,0,0,0|0,0,0]=2 8407 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000756256 [0,2,0,0,0,0|1,0,0]=3 8408 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000756256 [0,2,0,0,0,0|1,0,0]=3 8409 B17R0.250 CCCCCCCCCCCCCC(=O)NNC 22a_100016993582_100000756256 [0,2,0,0,0,0|1,0,0]=3 8410 B17R0.250 CCCCCCCCCCCCCN(C)CCO 2230a_100000210263_100000210684 [0,2,0,0,0,0|2,0,0]=4 8411 B17R0.250 CCCCCCCCCCCCCN(C)CCO 269982a_100000210263_100000210684 [0,2,0,0,0,0|2,0,0]=4 8412 B17R0.250 CCCCCCCCCCCCCN(C)CCO 270004a_100000210263_200011215488 [0,2,0,0,0,0|2,0,0]=4 8413 B17R0.250 CCCCCCCCCCCCNC(=O)C=CBr 1626a_100000210451_100016273825 [0,2,0,0,0,0|2,0,0]=4 8414 B17R0.250 CCCCCCCCCCCCNC(=O)C=CBr 240690a_100000210451_100016273825 [0,2,0,0,0,0|2,0,0]=4 8415 B17R0.250 CCCCCCCCCCCCNC(=O)C=CCl 11a_100000210451_200016279998 [0,2,0,0,0,0|2,0,0]=4 8416 B17R0.250 CCCCCCCCCCCCNC(=O)C=CCl 1626a_100000210451_200016279998 [0,2,0,0,0,0|2,0,0]=4 8417 B17R0.250 CCCCCCCCCCCCNC(=O)C=CCl 240690a_100000210451_200016279998 [0,2,0,0,0,0|2,0,0]=4 8418 B17R0.250 CCCCCCCCCCCCNC(=O)C=CI 1626a_100000210451_100016256311 [0,2,0,0,0,0|2,0,0]=4 8419 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 1626a_100000210451_100051588842 [0,2,0,0,0,0|2,0,0]=4 8420 B17R0.250 CCCCCCCCCCCCNC(=O)CC#N 240690a_100000210451_100051588842 [0,2,0,0,0,0|2,0,0]=4 8421 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 11a_100000210451_100000211992 [0,2,0,0,0,0|2,0,0]=4 8422 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 1626a_100000210451_100000211992 [0,2,0,0,0,0|2,0,0]=4 8423 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 240690a_100000210451_100000211992 [0,2,0,0,0,0|2,0,0]=4 8424 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 527a_100000210451_100000211992 [0,2,0,0,0,0|2,0,0]=4 8425 B17R0.250 CCCCCCCCCCCCNC(=O)CCO 240690a_100000210451_100011216618 [0,2,0,0,0,0|1,0,0]=3 8426 B17R0.250 CCCCCCCCCCCCNC(=O)COC 11a_100000210451_100000210968 [0,2,0,0,0,0|1,0,0]=3 8427 B17R0.250 CCCCCCCCCCCCNC(=O)COC 1626a_100000210451_100000210968 [0,2,0,0,0,0|1,0,0]=3 8428 B17R0.250 CCCCCCCCCCCCNC(=O)COC 240690a_100000210451_100000210968 [0,2,0,0,0,0|1,0,0]=3 8429 B17R0.250 CCCCCCCCCCCCNC(=O)COC 527a_100000210451_100000210968 [0,2,0,0,0,0|1,0,0]=3 8430 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 11a_100000210451_100000184570 [0,2,0,0,0,0|1,1,0]=4 8431 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 1626a_100000210451_100000184570 [0,2,0,0,0,0|1,1,0]=4 8432 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 240690a_100000210451_100000184570 [0,2,0,0,0,0|1,1,0]=4 8433 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 527a_100000210451_100000184570 [0,2,0,0,0,0|1,1,0]=4 8434 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100000210451_100015525214 [0,2,0,0,0,0|2,0,0]=4 8435 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000210451 [0,2,0,0,0,0|2,0,0]=4 8436 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100000210451_100015525214 [0,2,0,0,0,0|2,0,0]=4 8437 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000210451 [0,2,0,0,0,0|2,0,0]=4 8438 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100000210451_100015525214 [0,2,0,0,0,0|2,0,0]=4 8439 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100000210451 [0,2,0,0,0,0|2,0,0]=4 8440 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 273464a_100000210451_100016993582 [0,2,0,0,0,0|2,0,0]=4 8441 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100000210451_100016993582 [0,2,0,0,0,0|2,0,0]=4 8442 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100000210451 [0,2,0,0,0,0|2,0,0]=4 8443 B17R0.250 CCCCCCCCCCCNCC(=O)CCC 2230a_200011215754_100000747444 [0,2,0,0,0,0|2,0,0]=4 8444 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011215454 [0,2,0,0,0,0|2,0,0]=4 8445 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_200011215754_100000183381 [0,2,0,0,0,0|2,0,0]=4 8446 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 34a_200011215754_100000183381 [0,2,0,0,0,0|2,0,0]=4 8447 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 2230a_200011215754_100000185155 [0,2,0,0,0,0|1,0,0]=3 8448 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 34a_200011215754_100000185155 [0,2,0,0,0,0|1,0,0]=3 8449 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 2230a_200011215754_100000188475 [0,2,0,0,0,0|1,0,0]=3 8450 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 34a_200011215754_100000188475 [0,2,0,0,0,0|1,0,0]=3 8451 B17R0.250 CCCCCCCCCCCOCC(=O)CCC 7a_100000210809_100000747444 [0,2,0,0,0,0|2,0,0]=4 8452 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 34a_100000210809_100000183381 [0,2,0,0,0,0|2,0,0]=4 8453 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 7a_100000210809_100000183381 [0,2,0,0,0,0|2,0,0]=4 8454 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 34a_100000210809_100000185155 [0,2,0,0,0,0|1,0,0]=3 8455 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 7a_100000210809_100000185155 [0,2,0,0,0,0|1,0,0]=3 8456 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 34a_100000210809_100000188475 [0,2,0,0,0,0|1,0,0]=3 8457 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 7a_100000210809_100000188475 [0,2,0,0,0,0|1,0,0]=3 8458 B17R0.250 CCCCCCCCCCCSCC(=O)NCC 62a_100000183381_100011215454 [0,2,0,0,0,0|2,0,0]=4 8459 B17R0.250 CCCCCCCCCCCSCC(=O)NCO 62a_100000185155_100011215454 [0,2,0,0,0,0|1,0,0]=3 8460 B17R0.250 CCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100011215454 [0,2,0,0,0,0|1,0,0]=3 8461 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 2230a_100000684558_100000737597 [0,2,0,0,0,0|2,0,0]=4 8462 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210320 [0,2,0,0,0,0|2,0,0]=4 8463 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [0,2,0,0,0,0|1,0,0]=3 8464 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [0,2,0,0,0,0|1,0,0]=3 8465 B17R0.250 CCCCCCCCCCOCCC(=O)NCC 7a_100000210711_100000737597 [0,2,0,0,0,0|2,0,0]=4 8466 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [0,2,0,0,0,0|1,0,0]=3 8467 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [0,2,0,0,0,0|1,0,0]=3 8468 B17R0.250 CCCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210320 [0,2,0,0,0,0|2,0,0]=4 8469 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [0,2,0,0,0,0|1,0,0]=3 8470 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [0,2,0,0,0,0|1,0,0]=3 8471 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [0,2,0,0,0,0|1,0,0]=3 8472 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [0,2,0,0,0,0|1,0,0]=3 8473 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [0,2,0,0,0,0|1,0,0]=3 8474 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [0,2,0,0,0,0|1,0,0]=3 8475 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100011214924 [0,2,0,0,0,0|2,0,0]=4 8476 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 7a_100000210712_200011445536 [0,2,0,0,0,0|2,0,0]=4 8477 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [0,2,0,0,0,0|1,0,0]=3 8478 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [0,2,0,0,0,0|1,0,0]=3 8479 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [0,2,0,0,0,0|1,0,0]=3 8480 B17R0.250 CCCCCCCCNCCOCC(=O)OCC 2230a_100000229939_100000088970 [0,2,0,0,0,0|2,0,0]=4 8481 B17R0.250 CCCCCCCCNCCOCC(=O)OCC 34a_100000229939_100000088970 [0,2,0,0,0,0|2,0,0]=4 8482 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [0,2,0,0,0,0|1,0,0]=3 8483 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [0,2,0,0,0,0|1,0,0]=3 8484 B17R0.250 CCCCCCCCOCCOCC(=O)OCC 34a_100000210232_100000088970 [0,2,0,0,0,0|2,0,0]=4 8485 B17R0.250 CCCCCCCCOCCOCC(=O)OCC 7a_100000210232_100000088970 [0,2,0,0,0,0|2,0,0]=4 8486 B17R0.250 CCCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210759 [0,2,0,0,0,0|2,0,0]=4 8487 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [0,2,0,0,0,0|1,0,0]=3 8488 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [0,2,0,0,0,0|1,0,0]=3 8489 B17R0.250 CCCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210317 [0,2,0,0,0,0|2,0,0]=4 8490 B17R0.250 CCCCCCCCSCCOCC(=O)OCC 62a_100000210759_100000088970 [0,2,0,0,0,0|2,0,0]=4 8491 B17R0.250 CCCCCCCNCCCCCC(=O)OCC 2230a_100000229938_100000755133 [0,2,0,0,0,0|1,0,0]=3 8492 B17R0.250 CCCCCCCNCCCOCC(=O)OCC 2230a_100000229938_100009893628 [0,2,0,0,0,0|2,0,0]=4 8493 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 34a_100000210272_100000755133 [0,2,0,0,0,0|1,0,0]=3 8494 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100000210272_100000755133 [0,2,0,0,0,0|1,0,0]=3 8495 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210614 [0,2,0,0,0,0|1,0,0]=3 8496 B17R0.250 CCCCCCCOCCCOCC(=O)OCC 34a_100000210272_100009893628 [0,2,0,0,0,0|2,0,0]=4 8497 B17R0.250 CCCCCCCOCCCOCC(=O)OCC 7a_100000210272_100009893628 [0,2,0,0,0,0|2,0,0]=4 8498 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000210614_100000755133 [0,2,0,0,0,0|1,0,0]=3 8499 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210316 [0,2,0,0,0,0|1,0,0]=3 8500 B17R0.250 CCCCCCCSCCCOCC(=O)OCC 62a_100000210614_100009893628 [0,2,0,0,0,0|2,0,0]=4 8501 B17R0.250 CCCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210316 [0,2,0,0,0,0|2,0,0]=4 8502 B17R0.250 CCCCCCNCCCCCCC(=O)OCC 2230a_100000210581_100009814379 [0,2,0,0,0,0|1,0,0]=3 8503 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 34a_100000210259_100009814379 [0,2,0,0,0,0|1,0,0]=3 8504 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 7a_100000210259_100009814379 [0,2,0,0,0,0|1,0,0]=3 8505 B17R0.250 CCCCCCOCCOCCCC(=O)OCC 34a_100000691444_100009991533 [0,2,0,0,0,0|2,0,0]=4 8506 B17R0.250 CCCCCCOCCOCCCC(=O)OCC 7a_100000691444_100011215271 [0,2,0,0,0,0|2,0,0]=4 8507 B17R0.250 CCCCCCSCCCCCCC(=O)OCC 62a_100000210314_100009814379 [0,2,0,0,0,0|1,0,0]=3 8508 B17R0.250 CCCCCNCCCCCCCC(=O)OCC 2230a_100000209983_100009991516 [0,2,0,0,0,0|1,0,0]=3 8509 B17R0.250 CCCCCNCCOCCCCC(=O)OCC 34a_100000224656_100000750268 [0,2,0,0,0,0|2,0,0]=4 8510 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 34a_100000210253_100009991516 [0,2,0,0,0,0|1,0,0]=3 8511 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 7a_100000210253_100009991516 [0,2,0,0,0,0|1,0,0]=3 8512 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 34a_100011215259_100000750268 [0,2,0,0,0,0|2,0,0]=4 8513 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 7a_100011215259_100000750268 [0,2,0,0,0,0|2,0,0]=4 8514 B17R0.250 CCCCCSCCCCCCCC(=O)OCC 62a_100000210326_100009991516 [0,2,0,0,0,0|1,0,0]=3 8515 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 2230a_100000102301_100010175975 [0,2,0,0,0,0|1,0,0]=3 8516 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 7a_106832991798_100010175975 [0,2,0,0,0,0|1,0,0]=3 8517 B17R0.250 CCCCNCCCCOCCCC(=O)OCC 34a_200011216965_100009991533 [0,2,0,0,0,0|2,0,0]=4 8518 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 34a_100000210227_100010175975 [0,2,0,0,0,0|1,0,0]=3 8519 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 7a_100000210227_100010175975 [0,2,0,0,0,0|1,0,0]=3 8520 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 34a_200000760531_100009991533 [0,2,0,0,0,0|2,0,0]=4 8521 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 7a_200000760531_100011215271 [0,2,0,0,0,0|2,0,0]=4 8522 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 2230a_200000211371_100000750268 [0,2,0,0,0,0|2,0,0]=4 8523 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 34a_200000211371_100000750268 [0,2,0,0,0,0|2,0,0]=4 8524 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 34a_200011215613_100000750268 [0,2,0,0,0,0|2,0,0]=4 8525 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 7a_200011215613_100000750268 [0,2,0,0,0,0|2,0,0]=4 8526 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 34a_100000210238_100000755133 [0,2,0,0,0,0|2,0,0]=4 8527 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100000210238_100000755133 [0,2,0,0,0,0|2,0,0]=4 8528 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100011214988_100000743108 [0,2,0,0,0,0|2,0,0]=4 8529 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000743108_100000755133 [0,2,0,0,0,0|2,0,0]=4 8530 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000755133_100000743108 [0,2,0,0,0,0|2,0,0]=4 8531 B17R0.250 CCCCOCSCCCCCCC(=O)OCC 62a_100011995733_100009814379 [0,2,0,0,0,0|2,0,0]=4 8532 B17R0.250 CCCCSCCCCCCCCC(=O)OCC 62a_100000210211_100010175975 [0,2,0,0,0,0|1,0,0]=3 8533 B17R0.250 CCCCSCCNCCCCCC(=O)OCC 2230a_100025743550_100000755133 [0,2,0,0,0,0|2,0,0]=4 8534 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 34a_200000230436_100000755133 [0,2,0,0,0,0|2,0,0]=4 8535 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 7a_200000230436_100000755133 [0,2,0,0,0,0|2,0,0]=4 8536 B17R0.250 CCCOCCCCCCCCCC(=O)OCC 34a_100000210258_100009828014 [0,2,0,0,0,0|1,0,0]=3 8537 B17R0.250 CCCOCCCNCCCCCC(=O)OCC 2230a_100011217757_100000755133 [0,2,0,0,0,0|2,0,0]=4 8538 B17R0.250 CCCOCCCNCCCCCC(=O)OCC 34a_100011217757_100000755133 [0,2,0,0,0,0|2,0,0]=4 8539 B17R0.250 CCCOCCNCCCCCCC(=O)OCC 2230a_100161115042_100009814379 [0,2,0,0,0,0|2,0,0]=4 8540 B17R0.250 CCCOCCNCCCCCCC(=O)OCC 34a_100161115042_100009814379 [0,2,0,0,0,0|2,0,0]=4 8541 B17R0.250 CCCOCCOCCCCCCC(=O)OCC 34a_100000752267_100009814379 [0,2,0,0,0,0|2,0,0]=4 8542 B17R0.250 CCCOCCOCCCCCCC(=O)OCC 7a_100000752267_100009814379 [0,2,0,0,0,0|2,0,0]=4 8543 B17R0.250 CCCOCCSCCCCCCC(=O)OCC 62a_100011215938_100009814379 [0,2,0,0,0,0|2,0,0]=4 8544 B17R0.250 CCCSCCCCCCCCCC(=O)OCC 62a_100000210303_100009828014 [0,2,0,0,0,0|1,0,0]=3 8545 B17R0.250 CCCSCCNCCCCCCC(=O)OCC 2230a_100020603323_100009814379 [0,2,0,0,0,0|2,0,0]=4 8546 B17R0.250 CCCSCCOCCCCCCC(=O)OCC 34a_200000230433_100009814379 [0,2,0,0,0,0|2,0,0]=4 8547 B17R0.250 CCCSCCOCCCCCCC(=O)OCC 7a_200000230433_100009814379 [0,2,0,0,0,0|2,0,0]=4 8548 B17R0.250 CCNC(=O)CCCCCCCCCCCCO 240690a_100015525214_100102582631 [0,2,0,0,0,0|2,0,0]=4 8549 B17R0.250 CCNCCCCCCCCCCC(=O)OCC 2230a_100015525214_100009827693 [0,2,0,0,0,0|1,0,0]=3 8550 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 2230a_106832991635_100103168309 [0,2,0,0,0,0|1,0,0]=3 8551 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 34a_100102657272_100103168309 [0,2,0,0,0,0|1,0,0]=3 8552 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 7a_106832991635_100103168309 [0,2,0,0,0,0|1,0,0]=3 8553 B17R0.250 CCOC(=O)CCCCCCCCCCCOC 34a_100138415774_100103168309 [0,2,0,0,0,0|1,0,0]=3 8554 B17R0.250 CCOC(=O)CCCCCCCCCCCSC 62a_200000210301_100103168309 [0,2,0,0,0,0|1,0,0]=3 8555 B17R0.250 CCOC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100103168309 [0,2,0,0,0,0|1,0,0]=3 8556 B17R0.250 CCOC(=O)CCCCCCCCCCSCC 62a_100000210202_100009827693 [0,2,0,0,0,0|1,0,0]=3 8557 B17R0.250 CCOC(=O)CCCCCCCCCCSCF 62a_100015361967_100009827693 [0,2,0,0,0,0|2,0,0]=4 8558 B17R0.250 CCOC(=O)CCCCCCCCCNCCF 34a_100000724931_100009828014 [0,2,0,0,0,0|2,0,0]=4 8559 B17R0.250 CCOC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009828014 [0,2,0,0,0,0|2,0,0]=4 8560 B17R0.250 CCOC(=O)CCCCCCCCCNCCO 34a_100016990907_100009828014 [0,2,0,0,0,0|2,0,0]=4 8561 B17R0.250 CCOC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009828014 [0,2,0,0,0,0|2,0,0]=4 8562 B17R0.250 CCOC(=O)CCCCCCCCCOCCN 34a_100000210304_100009828014 [0,2,0,0,0,0|2,0,0]=4 8563 B17R0.250 CCOC(=O)CCCCCCCCCSCCF 62a_100011217306_100009828014 [0,2,0,0,0,0|2,0,0]=4 8564 B17R0.250 CCOC(=O)CCCCCCCCCSCCO 62a_100000211926_100009828014 [0,2,0,0,0,0|2,0,0]=4 8565 B17R0.250 CCOC(=O)CCCCCCCCCSCOC 62a_100000766300_100009828014 [0,2,0,0,0,0|2,0,0]=4 8566 B17R0.250 CCOC(=O)CCCCCCCCCSCSC 62a_100011218213_100009828014 [0,2,0,0,0,0|2,0,0]=4 8567 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010175975 [0,2,0,0,0,0|2,0,0]=4 8568 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 34a_100015189416_100010175975 [0,2,0,0,0,0|2,0,0]=4 8569 B17R0.250 CCOC(=O)CCCCCCCCNCCOC 2230a_100000209980_100010175975 [0,2,0,0,0,0|2,0,0]=4 8570 B17R0.250 CCOC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010175975 [0,2,0,0,0,0|2,0,0]=4 8571 B17R0.250 CCOC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010175975 [0,2,0,0,0,0|2,0,0]=4 8572 B17R0.250 CCOC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010175975 [0,2,0,0,0,0|2,0,0]=4 8573 B17R0.250 CCOC(=O)CCCCCCCCOCCCF 34a_100000759539_100010175975 [0,2,0,0,0,0|2,0,0]=4 8574 B17R0.250 CCOC(=O)CCCCCCCCOCCCN 34a_100000182051_100010175975 [0,2,0,0,0,0|2,0,0]=4 8575 B17R0.250 CCOC(=O)CCCCCCCCOCCOC 34a_100000210237_100010175975 [0,2,0,0,0,0|2,0,0]=4 8576 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 34a_100000230434_100010175975 [0,2,0,0,0,0|2,0,0]=4 8577 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 7a_100000230434_100010175975 [0,2,0,0,0,0|2,0,0]=4 8578 B17R0.250 CCOC(=O)CCCCCCCCSCCCF 62a_100011934791_100010175975 [0,2,0,0,0,0|2,0,0]=4 8579 B17R0.250 CCOC(=O)CCCCCCCCSCCCO 62a_100011215043_100010175975 [0,2,0,0,0,0|2,0,0]=4 8580 B17R0.250 CCOC(=O)CCCCCCCCSCCOC 62a_100000233755_100010175975 [0,2,0,0,0,0|2,0,0]=4 8581 B17R0.250 CCOC(=O)CCCCCCCCSCCSC 62a_100000212216_100010175975 [0,2,0,0,0,0|2,0,0]=4 8582 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 2230a_100000750430_100009991516 [0,2,0,0,0,0|2,0,0]=4 8583 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 34a_100000750430_100009991516 [0,2,0,0,0,0|2,0,0]=4 8584 B17R0.250 CCOC(=O)CCCCCCCNCCCOC 34a_100150723488_100009991516 [0,2,0,0,0,0|2,0,0]=4 8585 B17R0.250 CCOC(=O)CCCCCCCNCCCSC 2230a_100000749238_100009991516 [0,2,0,0,0,0|2,0,0]=4 8586 B17R0.250 CCOC(=O)CCCCCCCNCCSCC 2230a_100000106463_100009991516 [0,2,0,0,0,0|2,0,0]=4 8587 B17R0.250 CCOC(=O)CCCCCCCOCCCCBr 34a_100011216708_100009991516 [0,2,0,0,0,0|2,0,0]=4 8588 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 34a_100000210776_100009991516 [0,2,0,0,0,0|2,0,0]=4 8589 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 7a_100000210776_100009991516 [0,2,0,0,0,0|2,0,0]=4 8590 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 34a_100011995726_100009991516 [0,2,0,0,0,0|2,0,0]=4 8591 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 7a_100011995726_100009991516 [0,2,0,0,0,0|2,0,0]=4 8592 B17R0.250 CCOC(=O)CCCCCCCOCCCCI 34a_200012148704_100009991516 [0,2,0,0,0,0|2,0,0]=4 8593 B17R0.250 CCOC(=O)CCCCCCCOCCCCN 34a_100000750430_100009991516 [0,2,0,0,0,0|2,0,0]=4 8594 B17R0.250 CCOC(=O)CCCCCCCOCCCNC 34a_100000213112_100009991516 [0,2,0,0,0,0|2,0,0]=4 8595 B17R0.250 CCOC(=O)CCCCCCCOCCCOC 34a_100000740835_100009991516 [0,2,0,0,0,0|2,0,0]=4 8596 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 34a_100000690336_100009991516 [0,2,0,0,0,0|2,0,0]=4 8597 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 7a_100000690336_100009991516 [0,2,0,0,0,0|2,0,0]=4 8598 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 34a_100000212035_100009991516 [0,2,0,0,0,0|2,0,0]=4 8599 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 7a_100000212035_100009991516 [0,2,0,0,0,0|2,0,0]=4 8600 B17R0.250 CCOC(=O)CCCCCCCSCCCCF 62a_100000729493_100009991516 [0,2,0,0,0,0|2,0,0]=4 8601 B17R0.250 CCOC(=O)CCCCCCCSCCCCO 62a_100000210776_100009991516 [0,2,0,0,0,0|2,0,0]=4 8602 B17R0.250 CCOC(=O)CCCCCCCSCCCOC 62a_100000709357_100009991516 [0,2,0,0,0,0|2,0,0]=4 8603 B17R0.250 CCOC(=O)CCCCCCCSCCSCC 62a_100000757381_100009991516 [0,2,0,0,0,0|2,0,0]=4 8604 B17R0.250 CCOC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009814379 [0,2,0,0,0,0|2,0,0]=4 8605 B17R0.250 CCOC(=O)CCCCCCNCCCCCO 34a_100000762737_100009814379 [0,2,0,0,0,0|2,0,0]=4 8606 B17R0.250 CCOC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009814379 [0,2,0,0,0,0|2,0,0]=4 8607 B17R0.250 CCOC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009814379 [0,2,0,0,0,0|2,0,0]=4 8608 B17R0.250 CCOC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009814379 [0,2,0,0,0,0|2,0,0]=4 8609 B17R0.250 CCOC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009814379 [0,2,0,0,0,0|2,0,0]=4 8610 B17R0.250 CCOC(=O)CCCCCCOCCCCCI 34a_200012148887_100009814379 [0,2,0,0,0,0|2,0,0]=4 8611 B17R0.250 CCOC(=O)CCCCCCOCCCCCI 7a_200012148887_100009814379 [0,2,0,0,0,0|2,0,0]=4 8612 B17R0.250 CCOC(=O)CCCCCCOCCCCCN 34a_100000762737_100009814379 [0,2,0,0,0,0|2,0,0]=4 8613 B17R0.250 CCOC(=O)CCCCCCOCCCCOC 34a_100000740925_100009814379 [0,2,0,0,0,0|2,0,0]=4 8614 B17R0.250 CCOC(=O)CCCCCCOCCCCSC 34a_100011217163_100009814379 [0,2,0,0,0,0|2,0,0]=4 8615 B17R0.250 CCOC(=O)CCCCCCOCCCCSC 7a_100011217163_100009814379 [0,2,0,0,0,0|2,0,0]=4 8616 B17R0.250 CCOC(=O)CCCCCCOCCCSCC 34a_100011216438_100009814379 [0,2,0,0,0,0|2,0,0]=4 8617 B17R0.250 CCOC(=O)CCCCCCOCCCSCC 7a_100011216438_100009814379 [0,2,0,0,0,0|2,0,0]=4 8618 B17R0.250 CCOC(=O)CCCCCCSCCCCCF 62a_100000729378_100009814379 [0,2,0,0,0,0|2,0,0]=4 8619 B17R0.250 CCOC(=O)CCCCCCSCCCCCO 62a_100000746330_100009814379 [0,2,0,0,0,0|2,0,0]=4 8620 B17R0.250 CCOC(=O)CCCCCCSCCCCOC 62a_100000730899_100009814379 [0,2,0,0,0,0|2,0,0]=4 8621 B17R0.250 CCOC(=O)CCCCCNCCCCCCO 2230a_100000686447_100000755133 [0,2,0,0,0,0|2,0,0]=4 8622 B17R0.250 CCOC(=O)CCCCCNCCCCCCO 34a_100000686447_100000755133 [0,2,0,0,0,0|2,0,0]=4 8623 B17R0.250 CCOC(=O)CCCCCNCCCCCOC 2230a_100000747528_100000755133 [0,2,0,0,0,0|2,0,0]=4 8624 B17R0.250 CCOC(=O)CCCCCNCCCCCOC 34a_100000747528_100000755133 [0,2,0,0,0,0|2,0,0]=4 8625 B17R0.250 CCOC(=O)CCCCCOCCCCCCBr 34a_100011215345_100000755133 [0,2,0,0,0,0|2,0,0]=4 8626 B17R0.250 CCOC(=O)CCCCCOCCCCCCBr 7a_100011215345_100000755133 [0,2,0,0,0,0|2,0,0]=4 8627 B17R0.250 CCOC(=O)CCCCCOCCCCCCCl 34a_100000766143_100000755133 [0,2,0,0,0,0|2,0,0]=4 8628 B17R0.250 CCOC(=O)CCCCCOCCCCCCCl 7a_100000766143_100000755133 [0,2,0,0,0,0|2,0,0]=4 8629 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 34a_100000732779_100000755133 [0,2,0,0,0,0|2,0,0]=4 8630 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 7a_100000732779_100000755133 [0,2,0,0,0,0|2,0,0]=4 8631 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 7a_100011214988_100015922095 [0,2,0,0,0,0|2,0,0]=4 8632 B17R0.250 CCOC(=O)CCCCCOCCCCCCN 34a_100000686447_100000755133 [0,2,0,0,0,0|2,0,0]=4 8633 B17R0.250 CCOC(=O)CCCCCOCCCCCCO 7a_100011214988_100000766143 [0,2,0,0,0,0|2,0,0]=4 8634 B17R0.250 CCOC(=O)CCCCCOCCCCCNC 34a_100000722520_100000755133 [0,2,0,0,0,0|2,0,0]=4 8635 B17R0.250 CCOC(=O)CCCCCSCCCCCCF 62a_100000755133_100015922095 [0,2,0,0,0,0|2,0,0]=4 8636 B17R0.250 CCOC(=O)CCCCCSCCCCCCF 62a_100015922095_100000755133 [0,2,0,0,0,0|2,0,0]=4 8637 B17R0.250 CCOC(=O)CCCCCSCCCCCCO 62a_100000755133_100000766143 [0,2,0,0,0,0|2,0,0]=4 8638 B17R0.250 CCOC(=O)CCCCCSCCCCCCO 62a_100000766143_100000755133 [0,2,0,0,0,0|2,0,0]=4 8639 B17R0.250 CCOC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000750268 [0,2,0,0,0,0|2,0,0]=4 8640 B17R0.250 CCOC(=O)CCCCNCCCCCCCO 34a_100011996573_100000750268 [0,2,0,0,0,0|2,0,0]=4 8641 B17R0.250 CCOC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000750268 [0,2,0,0,0,0|2,0,0]=4 8642 B17R0.250 CCOC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000750268 [0,2,0,0,0,0|2,0,0]=4 8643 B17R0.250 CCOC(=O)CCCCOCCCCCCCN 34a_100011996573_100000750268 [0,2,0,0,0,0|2,0,0]=4 8644 B17R0.250 CCOC(=O)CCCCOCCCCCCOC 34a_200012092642_100000750268 [0,2,0,0,0,0|2,0,0]=4 8645 B17R0.250 CCOC(=O)CCCCOCCCCCCOC 7a_200012092642_100000750268 [0,2,0,0,0,0|2,0,0]=4 8646 B17R0.250 CCOC(=O)CCCCSCCCCCCCO 62a_100000750268_100000760002 [0,2,0,0,0,0|2,0,0]=4 8647 B17R0.250 CCOC(=O)CCCCSCCCCCCCO 62a_100000760002_100000750268 [0,2,0,0,0,0|2,0,0]=4 8648 B17R0.250 CCOC(=O)CCCCSCCCCCCOC 62a_100000750268_100011998445 [0,2,0,0,0,0|2,0,0]=4 8649 B17R0.250 CCOC(=O)CCCCSCCCCCCOC 62a_100011998445_100000750268 [0,2,0,0,0,0|2,0,0]=4 8650 B17R0.250 CCOC(=O)CCCNCCCCCCCCO 2230a_102515433106_100009991533 [0,2,0,0,0,0|2,0,0]=4 8651 B17R0.250 CCOC(=O)CCCNCCCCCCCCO 34a_102515433106_100009991533 [0,2,0,0,0,0|2,0,0]=4 8652 B17R0.250 CCOC(=O)CCCOCCCCCCCCBr 34a_100009813846_100009991533 [0,2,0,0,0,0|2,0,0]=4 8653 B17R0.250 CCOC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215271 [0,2,0,0,0,0|2,0,0]=4 8654 B17R0.250 CCOC(=O)CCCOCCCCCCCCCl 34a_100000033203_100009991533 [0,2,0,0,0,0|2,0,0]=4 8655 B17R0.250 CCOC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215271 [0,2,0,0,0,0|2,0,0]=4 8656 B17R0.250 CCOC(=O)CCCOCCCCCCCCN 34a_102515433106_100009991533 [0,2,0,0,0,0|2,0,0]=4 8657 B17R0.250 CCOC(=O)CCCOCCCCCCCCO 7a_100012001163_100000033203 [0,2,0,0,0,0|2,0,0]=4 8658 B17R0.250 CCOC(=O)CCCSCCCCCCCCO 62a_100000033203_100009991533 [0,2,0,0,0,0|2,0,0]=4 8659 B17R0.250 CCOC(=O)CCCSCCCCCCCCO 62a_100009991533_100000033203 [0,2,0,0,0,0|2,0,0]=4 8660 B17R0.250 CCOC(=O)CCNCCCCCCCCCO 2230a_100000078944_100011206558 [0,2,0,0,0,0|2,0,0]=4 8661 B17R0.250 CCOC(=O)CCNCCCCCCCCCO 34a_100000078944_100000765890 [0,2,0,0,0,0|2,0,0]=4 8662 B17R0.250 CCOC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000765890 [0,2,0,0,0,0|2,0,0]=4 8663 B17R0.250 CCOC(=O)CCOCCCCCCCCCBr 7a_100009813782_100011206558 [0,2,0,0,0,0|2,0,0]=4 8664 B17R0.250 CCOC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000765890 [0,2,0,0,0,0|2,0,0]=4 8665 B17R0.250 CCOC(=O)CCOCCCCCCCCCCl 7a_100009868337_100011206558 [0,2,0,0,0,0|2,0,0]=4 8666 B17R0.250 CCOC(=O)CCOCCCCCCCCCN 34a_100000078944_100000765890 [0,2,0,0,0,0|2,0,0]=4 8667 B17R0.250 CCOC(=O)CCSCCCCCCCCCO 62a_100000765890_100009813782 [0,2,0,0,0,0|2,0,0]=4 8668 B17R0.250 CCOC(=O)CCSCCCCCCCCCO 62a_100009813782_100000765890 [0,2,0,0,0,0|2,0,0]=4 8669 B17R0.250 CCOC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000188475 [0,2,0,0,0,0|2,0,0]=4 8670 B17R0.250 CCOC(=O)CNCCCCCCCCCCO 34a_100000066964_100000188475 [0,2,0,0,0,0|2,0,0]=4 8671 B17R0.250 CCOC(=O)COCCCCCCCCCCBr 34a_100009813290_100000188475 [0,2,0,0,0,0|2,0,0]=4 8672 B17R0.250 CCOC(=O)COCCCCCCCCCCBr 7a_100009813290_100000188475 [0,2,0,0,0,0|2,0,0]=4 8673 B17R0.250 CCOC(=O)COCCCCCCCCCCCl 34a_200000033068_100000188475 [0,2,0,0,0,0|2,0,0]=4 8674 B17R0.250 CCOC(=O)COCCCCCCCCCCCl 7a_200000033068_100000188475 [0,2,0,0,0,0|2,0,0]=4 8675 B17R0.250 CCOC(=O)COCCCCCCCCCCN 34a_100000066964_100000188475 [0,2,0,0,0,0|2,0,0]=4 8676 B17R0.250 CCOC(=O)CSCCCCCCCCCCO 62a_100000188475_200000033068 [0,2,0,0,0,0|2,0,0]=4 8677 B17R0.250 CCOC(=O)CSCCCCCCCCCCO 62a_100009813290_100000188475 [0,2,0,0,0,0|2,0,0]=4 8678 B17R0.250 CCOCCCCCCCCCCC(=O)OCC 34a_100121572206_100009827693 [0,2,0,0,0,0|1,0,0]=3 8679 B17R0.250 CCOCCCNCCCCCCC(=O)OCC 2230a_100000210961_100009814379 [0,2,0,0,0,0|2,0,0]=4 8680 B17R0.250 CCOCCCNCCCCCCC(=O)OCC 34a_100000210961_100009814379 [0,2,0,0,0,0|2,0,0]=4 8681 B17R0.250 CCOCCCOCCCCCCC(=O)OCC 34a_100000757476_100009814379 [0,2,0,0,0,0|2,0,0]=4 8682 B17R0.250 CCOCCCOCCCCCCC(=O)OCC 7a_100000757476_100009814379 [0,2,0,0,0,0|2,0,0]=4 8683 B17R0.250 CCOCCCSCCCCCCC(=O)OCC 62a_100012232248_100009814379 [0,2,0,0,0,0|2,0,0]=4 8684 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 2230a_102516460346_100009991516 [0,2,0,0,0,0|2,0,0]=4 8685 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 34a_102516460346_100009991516 [0,2,0,0,0,0|2,0,0]=4 8686 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 34a_100000210136_100009991516 [0,2,0,0,0,0|2,0,0]=4 8687 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 7a_100000210136_100009991516 [0,2,0,0,0,0|2,0,0]=4 8688 B17R0.250 CCOCCSCCCCCCCC(=O)OCC 62a_100000210147_100009991516 [0,2,0,0,0,0|2,0,0]=4 8689 B17R0.250 CCOCSCCCCCCCCC(=O)OCC 62a_100000739092_100010175975 [0,2,0,0,0,0|2,0,0]=4 8690 B17R0.250 CNNC(=O)CCCCCCCCCCCCO 22a_100016993582_100102582631 [0,2,0,0,0,0|2,0,0]=4 8691 B17R0.250 COCC(=O)CCCCCCCCCCCCO 1458a_100000210968_100009813331 [0,2,0,0,0,0|1,0,0]=3 8692 B17R0.250 COCC(=O)CCCCCCOCCCCCO 1458a_100000210968_200132310570 [0,2,0,0,0,0|2,0,0]=4 8693 B17R0.250 CSCC(=O)CCCCCCCCCCCCO 1458a_100000184570_100009813331 [0,2,0,0,0,0|1,1,0]=4 8694 B17R0.250 N#CCC(=O)CCCCCCCCCCCCO 1458a_100051588842_100009813331 [0,2,0,0,0,0|2,0,0]=4 8695 B17R0.250 NCCCCCCCCCCOCC(=O)NCO 34a_100000066964_100000185155 [0,2,0,0,0,0|2,0,0]=4 8696 B17R0.250 O=C(C=CBr)CCCCCCCCCCCCO 1458a_100016273825_100009813331 [0,2,0,0,0,0|2,0,0]=4 8697 B17R0.250 O=C(C=CCl)CCCCCCCCCCCCO 1458a_200016279998_100009813331 [0,2,0,0,0,0|2,0,0]=4 8698 B17R0.250 O=C(C=CI)CCCCCCCCCCCCO 1458a_100016256311_100009813331 [0,2,0,0,0,0|2,0,0]=4 8699 B17R0.250 O=C(CCO)CCCCCCCCCCCCO 1458a_100011216618_100009813331 [0,2,0,0,0,0|1,0,0]=3 8700 B17R0.250 O=C(CCO)CCCCCCOCCCCCO 1458a_100011216618_200132310570 [0,2,0,0,0,0|2,0,0]=4 8701 B17R0.250 O=C(CNCCCCCCCCCCO)NCO 2230a_100000066964_100000185155 [0,2,0,0,0,0|2,0,0]=4 8702 B17R0.250 O=C(CNCCCCCCCCCCO)NCO 34a_100000066964_100000185155 [0,2,0,0,0,0|2,0,0]=4 8703 B17R0.250 O=C(COCCCCCCCCCCBr)NCO 34a_100009813290_100000185155 [0,2,0,0,0,0|2,0,0]=4 8704 B17R0.250 O=C(COCCCCCCCCCCBr)NCO 7a_100009813290_100000185155 [0,2,0,0,0,0|2,0,0]=4 8705 B17R0.250 O=C(COCCCCCCCCCCCl)NCO 34a_200000033068_100000185155 [0,2,0,0,0,0|2,0,0]=4 8706 B17R0.250 O=C(COCCCCCCCCCCCl)NCO 7a_200000033068_100000185155 [0,2,0,0,0,0|2,0,0]=4 8707 B17R0.250 O=C(CSCCCCCCCCCCO)NCO 62a_100000185155_200000033068 [0,2,0,0,0,0|2,0,0]=4 8708 B17R0.250 O=C(CSCCCCCCCCCCO)NCO 62a_100009813290_100000185155 [0,2,0,0,0,0|2,0,0]=4 8709 B17R0.3062 CCCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210326 [0,2,0,0,0,0|0,0,1]=3 8710 B17R0.3062 CCCCCC(=O)CCCCCCCC(=O)OC 1458a_100000212188_100010004213 [0,2,0,0,0,0|0,0,1]=3 8711 B17R0.3062 CCCCCC(=O)COCCCCCC(=O)OC 34a_100000074720_200012276598 [0,2,0,0,0,0|1,0,1]=4 8712 B17R0.3062 CCCCCC(=O)COCCCCCC(=O)OC 7a_100000074720_200012276598 [0,2,0,0,0,0|1,0,1]=4 8713 B17R0.3062 CCCCCC(=O)CSCCCCCC(=O)OC 62a_100009816466_200012276598 [0,2,0,0,0,0|1,0,1]=4 8714 B17R0.3062 CCCCCC(=O)CSCCCCCC(=O)OC 62a_200012276598_100009816466 [0,2,0,0,0,0|1,0,1]=4 8715 B17R0.3062 CCCCCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000212188 [0,2,0,0,0,0|1,0,1]=4 8716 B17R0.3062 CCCCCC(C)NCCCCCCC(=O)OC 2230a_100000211957_100009815986 [0,2,0,0,0,0|1,0,0]=3 8717 B17R0.3062 CCCCCC(C)OCCCCCCC(=O)OC 34a_100009863599_200011218191 [0,2,0,0,0,0|1,0,0]=3 8718 B17R0.3062 CCCCCC(C)OCCCCCCC(=O)OC 34a_100011215632_100009815986 [0,2,0,0,0,0|1,0,0]=3 8719 B17R0.3062 CCCCCC(C)OCCCCCCC(=O)OC 7a_100009863599_200011218191 [0,2,0,0,0,0|1,0,0]=3 8720 B17R0.3062 CCCCCC(C)OCCCCCCC(=O)OC 7a_100011215632_100009815986 [0,2,0,0,0,0|1,0,0]=3 8721 B17R0.3062 CCCCCC(C)SCCCCCCC(=O)OC 62a_100009815986_200011218191 [0,2,0,0,0,0|1,0,0]=3 8722 B17R0.3062 CCCCCC(C)SCCCCCCC(=O)OC 62a_200011218191_100009815986 [0,2,0,0,0,0|1,0,0]=3 8723 B17R0.3062 CCCCCN(C)CCCCCCCC(=O)OC 2230a_100000223495_100010004213 [0,2,0,0,0,0|1,0,0]=3 8724 B17R0.3062 CCCCCN(C)CCCCCCCC(=O)OC 269982a_100000223495_100010004213 [0,2,0,0,0,0|1,0,0]=3 8725 B17R0.3062 CCCCNC(=O)CCCCCCCC(=O)OC 11a_100000102301_100000033222 [0,2,0,0,0,0|1,0,1]=4 8726 B17R0.3062 CCCCNC(=O)CCCCCCCC(=O)OC 1626a_100000102301_100000033222 [0,2,0,0,0,0|1,0,1]=4 8727 B17R0.3062 CCCCNC(=O)CCCCCCCC(=O)OC 240690a_100000102301_100000033222 [0,2,0,0,0,0|1,0,1]=4 8728 B17R0.3062 CCCOCC(=O)CCCCCCCC(=O)OC 1458a_100000745993_100010004213 [0,2,0,0,0,0|1,0,1]=4 8729 B17R0.3062 CCCSCC(=O)CCCCCCCC(=O)OC 1458a_100000217233_100010004213 [0,2,0,0,0,0|1,0,1]=4 8730 B17R0.3062 CCOCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100011215890 [0,2,0,0,0,0|1,0,1]=4 8731 B17R0.3062 CCOCCC(=O)CCCCCCCC(=O)OC 1458a_100000749530_100010004213 [0,2,0,0,0,0|1,0,1]=4 8732 B17R0.3062 CCSCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000757381 [0,2,0,0,0,0|1,0,1]=4 8733 B17R0.3062 CCSCCC(=O)CCCCCCCC(=O)OC 1458a_100000230768_100010004213 [0,2,0,0,0,0|1,0,1]=4 8734 B17R0.3062 COC(=O)CCCCCCCC(=O)CCCCF 1458a_100000033222_100000729493 [0,2,0,0,0,0|1,0,1]=4 8735 B17R0.3062 COC(=O)CCCCCCCC(=O)CCCCO 1458a_100000033222_100000210776 [0,2,0,0,0,0|1,0,1]=4 8736 B17R0.3062 COC(=O)CCCCCCCC(=O)CCCCO 1458a_100000695505_100010004213 [0,2,0,0,0,0|1,0,1]=4 8737 B17R0.3062 COC(=O)CCCCCCCC(=O)CCCSC 1458a_100000173376_100010004213 [0,2,0,0,0,0|1,0,1]=4 8738 B17R0.3062 COC(=O)CCCCCCCN(C)CCCCO 2230a_100000717598_100010004213 [0,2,0,0,0,0|2,0,0]=4 8739 B17R0.3062 COC(=O)CCCCCCCN(C)CCCCO 269982a_100000717598_100010004213 [0,2,0,0,0,0|2,0,0]=4 8740 B17R0.3062 COC(=O)CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100009816466 [0,2,0,0,0,0|2,0,0]=4 8741 B17R0.3062 COCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000740836 [0,2,0,0,0,0|1,0,1]=4 8742 B17R0.3062 COCCCC(=O)CCCCCCCC(=O)OC 1458a_100000741012_100010004213 [0,2,0,0,0,0|1,0,1]=4 8743 B17R0.3062 COCCCC(C)OCCCCCCC(=O)OC 34a_200011539412_100009815986 [0,2,0,0,0,0|2,0,0]=4 8744 B17R0.3062 COCCCC(C)OCCCCCCC(=O)OC 7a_200011539412_100009815986 [0,2,0,0,0,0|2,0,0]=4 8745 B17R0.3062 COCCCN(C)CCCCCCCC(=O)OC 2230a_100000224831_100010004213 [0,2,0,0,0,0|2,0,0]=4 8746 B17R0.3062 COCCCN(C)CCCCCCCC(=O)OC 269982a_100000224831_100010004213 [0,2,0,0,0,0|2,0,0]=4 8747 B17R0.3112 C=C(CNCCCCCCCCCC)C(=O)OC 34a_100000684558_100009813391 [0,2,0,0,0,0|1,0,1]=4 8748 B17R0.3112 C=C(COCCCCCCCCCC)C(=O)OC 34a_100000210711_100009813391 [0,2,0,0,0,0|1,0,1]=4 8749 B17R0.3112 C=C(CSCCCCCCCCCC)C(=O)OC 62a_100009813391_100000210320 [0,2,0,0,0,0|1,0,1]=4 8750 B17R0.3112 C=CC(=O)N(C)CCCCCCCCCCCC 1626a_100000227908_100000185746 [0,2,0,0,0,0|2,0,0]=4 8751 B17R0.3112 C=CC(=O)N(C)CCCCCCCCCCCC 240690a_100000227908_200121576911 [0,2,0,0,0,0|2,0,0]=4 8752 B17R0.3112 CCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000759014 [0,2,0,0,0,0|1,0,1]=4 8753 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CO 1458a_100000210174_200011217028 [0,2,0,0,0,0|0,0,0]=2 8754 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 11a_100000227908_100000210414 [0,2,0,0,0,0|2,0,0]=4 8755 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 1626a_100000227908_100000210414 [0,2,0,0,0,0|2,0,0]=4 8756 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 240690a_100000227908_100000210414 [0,2,0,0,0,0|2,0,0]=4 8757 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 527a_100000227908_100000210414 [0,2,0,0,0,0|2,0,0]=4 8758 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 240690a_100000227908_100000210174 [0,2,0,0,0,0|1,0,0]=3 8759 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 527a_100000227908_100000210174 [0,2,0,0,0,0|1,0,0]=3 8760 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000227908 [0,2,0,0,0,0|2,0,0]=4 8761 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000227908 [0,2,0,0,0,0|2,0,0]=4 8762 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 11a_200011215754_100000024059 [0,2,0,0,0,0|1,0,1]=4 8763 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 1626a_200011215754_100000024059 [0,2,0,0,0,0|1,0,1]=4 8764 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 240690a_200011215754_100000024059 [0,2,0,0,0,0|1,0,1]=4 8765 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 527a_200011215754_100000024059 [0,2,0,0,0,0|1,0,1]=4 8766 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)CC 2230a_200011215754_100000742827 [0,2,0,0,0,0|2,0,0]=4 8767 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)NC 2230a_200011215754_100000731044 [0,2,0,0,0,0|2,0,0]=4 8768 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)NC 34a_200011215754_100000731044 [0,2,0,0,0,0|2,0,0]=4 8769 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)OC 2230a_200011215754_100000211248 [0,2,0,0,0,0|1,0,0]=3 8770 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)OC 34a_200011215754_100000211248 [0,2,0,0,0,0|1,0,0]=3 8771 B17R0.3112 CCCCCCCCCCCNC(F)C(=O)NC 2230a_200011215754_100009813575 [0,2,0,0,0,0|2,0,0]=4 8772 B17R0.3112 CCCCCCCCCCCNC(F)C(=O)NC 34a_200011215754_100009813575 [0,2,0,0,0,0|2,0,0]=4 8773 B17R0.3112 CCCCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215454 [0,2,0,0,0,0|2,0,0]=4 8774 B17R0.3112 CCCCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011215454 [0,2,0,0,0,0|2,0,0]=4 8775 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)CC 7a_100000210809_100000742827 [0,2,0,0,0,0|2,0,0]=4 8776 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)NC 34a_100000210809_100000731044 [0,2,0,0,0,0|2,0,0]=4 8777 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)NC 7a_100000210809_100000209862 [0,2,0,0,0,0|2,0,0]=4 8778 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100011215454 [0,2,0,0,0,0|2,0,0]=4 8779 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)OC 34a_100000210809_100000211248 [0,2,0,0,0,0|1,0,0]=3 8780 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011215454 [0,2,0,0,0,0|1,0,0]=3 8781 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)OC 7a_100000210809_100000211248 [0,2,0,0,0,0|1,0,0]=3 8782 B17R0.3112 CCCCCCCCCCCOC(F)C(=O)NC 34a_100000210809_100009813575 [0,2,0,0,0,0|2,0,0]=4 8783 B17R0.3112 CCCCCCCCCCCOC(F)C(=O)NC 7a_100000210809_100009813575 [0,2,0,0,0,0|2,0,0]=4 8784 B17R0.3112 CCCCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100011215454 [0,2,0,0,0,0|2,0,0]=4 8785 B17R0.3112 CCCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100011215454 [0,2,0,0,0,0|1,0,0]=3 8786 B17R0.3112 CCCCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100011215454 [0,2,0,0,0,0|2,0,0]=4 8787 B17R0.3112 CCCCCCCCCCNCC(=O)C(=O)OC 34a_100000684558_100011610305 [0,2,0,0,0,0|1,0,1]=4 8788 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210320 [0,2,0,0,0,0|2,0,0]=4 8789 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210320 [0,2,0,0,0,0|2,0,0]=4 8790 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)OC 34a_100000684558_100000698445 [0,2,0,0,0,0|1,0,0]=3 8791 B17R0.3112 CCCCCCCCCCOCC(=O)C(=O)OC 34a_100000210711_100011610305 [0,2,0,0,0,0|1,0,1]=4 8792 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 34a_100000210711_100000698445 [0,2,0,0,0,0|1,0,0]=3 8793 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210320 [0,2,0,0,0,0|1,0,0]=3 8794 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210320 [0,2,0,0,0,0|1,0,0]=3 8795 B17R0.3112 CCCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210320 [0,2,0,0,0,0|1,0,0]=3 8796 B17R0.3112 CCCCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210320 [0,2,0,0,0,0|2,0,0]=4 8797 B17R0.3112 CCCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210320 [0,2,0,0,0,0|1,0,0]=3 8798 B17R0.3112 CCCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210320 [0,2,0,0,0,0|1,0,1]=4 8799 B17R0.3112 CCCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210320 [0,2,0,0,0,0|1,0,0]=3 8800 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 2230a_100000212291_100000034942 [0,2,0,0,0,0|1,0,0]=3 8801 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 34a_100000212291_100000034942 [0,2,0,0,0,0|1,0,0]=3 8802 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 34a_100000210712_100000034942 [0,2,0,0,0,0|1,0,0]=3 8803 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 7a_100000210712_100000034942 [0,2,0,0,0,0|1,0,0]=3 8804 B17R0.3112 CCCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210670 [0,2,0,0,0,0|1,0,0]=3 8805 B17R0.3112 CCCCCCOCCOCCC(C)C(=O)OC 34a_100000691444_100000034942 [0,2,0,0,0,0|2,0,0]=4 8806 B17R0.3112 CCCCCCOCCOCCC(C)C(=O)OC 7a_100000691444_100000034942 [0,2,0,0,0,0|2,0,0]=4 8807 B17R0.3112 CCCCNCCCCOCCC(C)C(=O)OC 34a_200011216965_100000034942 [0,2,0,0,0,0|2,0,0]=4 8808 B17R0.3112 CCCCOCCCCOCCC(C)C(=O)OC 34a_200000760531_100000034942 [0,2,0,0,0,0|2,0,0]=4 8809 B17R0.3112 CCCCOCCCCOCCC(C)C(=O)OC 7a_200000760531_100000034942 [0,2,0,0,0,0|2,0,0]=4 8810 B17R0.3112 COC(=O)C(C)CCNCCCCCCCCO 2230a_102515433106_100000034942 [0,2,0,0,0,0|2,0,0]=4 8811 B17R0.3112 COC(=O)C(C)CCNCCCCCCCCO 34a_102515433106_100000034942 [0,2,0,0,0,0|2,0,0]=4 8812 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCBr 34a_100009813846_100000034942 [0,2,0,0,0,0|2,0,0]=4 8813 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCBr 7a_100009813846_100000034942 [0,2,0,0,0,0|2,0,0]=4 8814 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCCl 34a_100000033203_100000034942 [0,2,0,0,0,0|2,0,0]=4 8815 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCCl 7a_100000033203_100000034942 [0,2,0,0,0,0|2,0,0]=4 8816 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCN 34a_102515433106_100000034942 [0,2,0,0,0,0|2,0,0]=4 8817 B17R0.3112 COC(=O)C(C)CCSCCCCCCCCO 62a_100000033203_100000034942 [0,2,0,0,0,0|2,0,0]=4 8818 B17R0.3112 COC(=O)C(C)CCSCCCCCCCCO 62a_100000034942_100000033203 [0,2,0,0,0,0|2,0,0]=4 8819 B17R0.3112 COC(=O)C(C)CNCCCCCCCCCO 34a_100000078944_100000698445 [0,2,0,0,0,0|2,0,0]=4 8820 B17R0.3112 COC(=O)C(C)COCCCCCCCCCBr 34a_100009813782_100000698445 [0,2,0,0,0,0|2,0,0]=4 8821 B17R0.3112 COC(=O)C(C)COCCCCCCCCCCl 34a_100009868337_100000698445 [0,2,0,0,0,0|2,0,0]=4 8822 B17R0.3112 COC(=O)C(C)COCCCCCCCCCN 34a_100000078944_100000698445 [0,2,0,0,0,0|2,0,0]=4 8823 B17R0.3112 COC(=O)C(C)COCCCCCCCCCO 34a_100000749362_100009813782 [0,2,0,0,0,0|2,0,0]=4 8824 B17R0.3112 COC(=O)C(C)COCCCCCCCCCO 7a_100000749362_100009813782 [0,2,0,0,0,0|2,0,0]=4 8825 B17R0.3112 COC(=O)C(C)CSCCCCCCCCCO 62a_100000698445_100009813782 [0,2,0,0,0,0|2,0,0]=4 8826 B17R0.3112 COC(=O)C(C)CSCCCCCCCCCO 62a_100009813782_100000698445 [0,2,0,0,0,0|2,0,0]=4 8827 B17R0.3112 COC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100000211248 [0,2,0,0,0,0|2,0,0]=4 8828 B17R0.3112 COC(=O)C(C)NCCCCCCCCCCO 34a_100000066964_100000211248 [0,2,0,0,0,0|2,0,0]=4 8829 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCBr 34a_100009813290_100000211248 [0,2,0,0,0,0|2,0,0]=4 8830 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000211248 [0,2,0,0,0,0|2,0,0]=4 8831 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCCl 34a_200000033068_100000211248 [0,2,0,0,0,0|2,0,0]=4 8832 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000211248 [0,2,0,0,0,0|2,0,0]=4 8833 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCN 34a_100000066964_100000211248 [0,2,0,0,0,0|2,0,0]=4 8834 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCO 34a_100011215400_100009813290 [0,2,0,0,0,0|2,0,0]=4 8835 B17R0.3112 COC(=O)C(C)SCCCCCCCCCCO 62a_100000211248_200000033068 [0,2,0,0,0,0|2,0,0]=4 8836 B17R0.3112 COC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100000211248 [0,2,0,0,0,0|2,0,0]=4 8837 B17R0.3112 COC(=O)C(F)COCCCCCCCCCO 34a_200009849844_100009813782 [0,2,0,0,0,0|2,0,0]=4 8838 B17R0.3112 COC(=O)[C@H](N)COCCCCCCCCCO 34a_100000003586_100009813782 [0,2,0,0,0,0|2,0,0]=4 8839 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210558_100000741757 [0,2,0,0,0,0|1,0,1]=4 8840 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210558_100011218270 [0,2,0,0,0,0|0,0,1]=3 8841 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210670 [0,2,0,0,0,0|0,0,1]=3 8842 B17R0.8798 CCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210670 [0,2,0,0,0,0|1,0,1]=4 8843 B17R0.8798 CCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210558 [0,2,0,0,0,0|1,0,1]=4 8844 B17R0.8798 CCCCCCCCCC(C)CNCC(=O)NC 270004a_100000693194_200011218516 [0,2,0,0,0,0|2,0,0]=4 8845 B17R0.8798 CCCCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100011215753 [0,2,0,0,0,0|2,0,0]=4 8846 B17R0.8798 CCCCCCCCCC(C)OCCC(=O)NC 34a_100011218016_100012179268 [0,2,0,0,0,0|2,0,0]=4 8847 B17R0.8798 CCCCCCCCCC(C)OCCC(=O)NC 7a_100011218016_100000737683 [0,2,0,0,0,0|2,0,0]=4 8848 B17R0.8798 CCCCCCCCCC(C)OCCC(=O)OC 34a_100011218016_100000742370 [0,2,0,0,0,0|1,0,0]=3 8849 B17R0.8798 CCCCCCCCCC(C)OCCC(=O)OC 7a_100011218016_100000204255 [0,2,0,0,0,0|1,0,0]=3 8850 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)NC 2230a_100000232482_100000741757 [0,2,0,0,0,0|2,0,0]=4 8851 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)NC 269982a_100000232482_100000741757 [0,2,0,0,0,0|2,0,0]=4 8852 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 2230a_100000232482_100011218270 [0,2,0,0,0,0|1,0,0]=3 8853 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 269982a_100000232482_100011218270 [0,2,0,0,0,0|1,0,0]=3 8854 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210670 [0,2,0,0,0,0|1,0,0]=3 8855 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 11a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 8856 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 8857 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 8858 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 527a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 8859 B17R0.8798 COC(=O)CCCC(=O)CCCCCCCCO 1458a_100000239890_100000033203 [0,2,0,0,0,0|1,0,1]=4 8860 B17R0.8798 COC(=O)CCCN(C)CCCCCCCCO 269982a_100000739225_100000033203 [0,2,0,0,0,0|2,0,0]=4 8861 B17R0.12415 CCCCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210319 [0,2,0,0,0,0|1,0,1]=4 8862 B17R0.12415 CCCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210319 [0,2,0,0,0,0|0,0,1]=3 8863 B17R0.12415 CCCCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210319 [0,2,0,0,0,0|1,0,1]=4 8864 B17R0.12415 CCCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210375 [0,2,0,0,0,0|1,0,1]=4 8865 B17R0.12415 CCCCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_200011219864 [0,2,0,0,0,0|2,0,0]=4 8866 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)CC 7a_100011215000_100000747405 [0,2,0,0,0,0|2,0,0]=4 8867 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)NC 34a_100011215000_100000183359 [0,2,0,0,0,0|2,0,0]=4 8868 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)NC 7a_100011215000_100000183359 [0,2,0,0,0,0|2,0,0]=4 8869 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)OC 34a_100011215000_100000747449 [0,2,0,0,0,0|1,0,0]=3 8870 B17R0.12415 CCCCCCCCCCC(C)OCC(=O)OC 7a_100011215000_100000747449 [0,2,0,0,0,0|1,0,0]=3 8871 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 2230a_100000207566_100000737683 [0,2,0,0,0,0|2,0,0]=4 8872 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210320 [0,2,0,0,0,0|2,0,0]=4 8873 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 269982a_100000207566_100000737683 [0,2,0,0,0,0|2,0,0]=4 8874 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210320 [0,2,0,0,0,0|2,0,0]=4 8875 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 2230a_100000207566_100000204255 [0,2,0,0,0,0|1,0,0]=3 8876 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 269982a_100000207566_100000204255 [0,2,0,0,0,0|1,0,0]=3 8877 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210320 [0,2,0,0,0,0|1,0,0]=3 8878 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 11a_100000212291_100000187943 [0,2,0,0,0,0|1,0,1]=4 8879 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 1626a_100000212291_100000187943 [0,2,0,0,0,0|1,0,1]=4 8880 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 240690a_100000212291_100000187943 [0,2,0,0,0,0|1,0,1]=4 8881 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 527a_100000212291_100000187943 [0,2,0,0,0,0|1,0,1]=4 8882 B17R0.12415 CCCCCCCCNCC(=O)CCC(=O)OC 2230a_100000229939_100000691467 [0,2,0,0,0,0|1,0,1]=4 8883 B17R0.12415 CCCCCCCCNCC(=O)CCC(=O)OC 34a_100000229939_100000691467 [0,2,0,0,0,0|1,0,1]=4 8884 B17R0.12415 CCCCCCCCOCC(=O)CCC(=O)OC 34a_100000210232_100000691467 [0,2,0,0,0,0|1,0,1]=4 8885 B17R0.12415 CCCCCCCCOCC(=O)CCC(=O)OC 7a_100000210232_100000691467 [0,2,0,0,0,0|1,0,1]=4 8886 B17R0.12415 CCCCCCCCSCC(=O)CCC(=O)OC 62a_100000210759_100000691467 [0,2,0,0,0,0|1,0,1]=4 8887 B17R0.12415 CCCCCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210317 [0,2,0,0,0,0|1,0,1]=4 8888 B17R0.12415 COC(=O)CCC(=O)CCCCCCCCCO 1458a_100000187943_100009813782 [0,2,0,0,0,0|1,0,1]=4 8889 B17R0.12415 COC(=O)CCN(C)CCCCCCCCCO 269982a_100025711912_100009813782 [0,2,0,0,0,0|2,0,0]=4 8890 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [0,2,0,0,0,0|1,0,1]=4 8891 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210736_100000183359 [0,2,0,0,0,0|1,0,1]=4 8892 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210736_100000747449 [0,2,0,0,0,0|0,0,1]=3 8893 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215454 [0,2,0,0,0,0|0,0,1]=3 8894 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_100000082106 [0,2,0,0,0,0|1,0,0]=3 8895 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_100000082106 [0,2,0,0,0,0|1,0,0]=3 8896 B17R0.13601 CCCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215454 [0,2,0,0,0,0|2,0,0]=4 8897 B17R0.13601 CCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215454 [0,2,0,0,0,0|1,0,0]=3 8898 B17R0.13601 CCCCCCCCCCNC(=O)CC(=O)OC 240690a_100000684558_100000211351 [0,2,0,0,0,0|1,0,1]=4 8899 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 2230a_100000684558_100009817358 [0,2,0,0,0,0|1,0,0]=3 8900 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 34a_100000684558_100009817358 [0,2,0,0,0,0|1,0,0]=3 8901 B17R0.13601 CCCCCCCCCCOC(=O)CC(=O)CO 1458a_100000210174_100000210668 [0,2,0,0,0,0|1,0,1]=4 8902 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 34a_100000210711_100009817358 [0,2,0,0,0,0|1,0,0]=3 8903 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 7a_100000210711_100009817358 [0,2,0,0,0,0|1,0,0]=3 8904 B17R0.13601 CCCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210320 [0,2,0,0,0,0|1,0,0]=3 8905 B17R0.13601 CCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000212291_100000754131 [0,2,0,0,0,0|1,0,0]=3 8906 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210712_100000754131 [0,2,0,0,0,0|1,0,0]=3 8907 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210712_100000754131 [0,2,0,0,0,0|1,0,0]=3 8908 B17R0.13601 CCCCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210670 [0,2,0,0,0,0|1,0,1]=4 8909 B17R0.13601 CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210670 [0,2,0,0,0,0|1,0,0]=3 8910 B17R0.13601 CCCCCCOCCOC[C@H](O)CC(=O)OC 34a_100000691444_100000754131 [0,2,0,0,0,0|2,0,0]=4 8911 B17R0.13601 CCCCCCOCCOC[C@H](O)CC(=O)OC 7a_100000691444_100000754131 [0,2,0,0,0,0|2,0,0]=4 8912 B17R0.13601 CCCCNCCCCOC[C@H](O)CC(=O)OC 34a_200011216965_100000754131 [0,2,0,0,0,0|2,0,0]=4 8913 B17R0.13601 CCCCOCCCCOC[C@H](O)CC(=O)OC 34a_200000760531_100000754131 [0,2,0,0,0,0|2,0,0]=4 8914 B17R0.13601 CCCCOCCCCOC[C@H](O)CC(=O)OC 7a_200000760531_100000754131 [0,2,0,0,0,0|2,0,0]=4 8915 B17R0.13601 COC(=O)CC(=O)CCCCCCCCCCO 1458a_100000211351_100009813290 [0,2,0,0,0,0|1,0,1]=4 8916 B17R0.13601 COC(=O)CC(C)NCCCCCCCCCO 2230a_100000078944_100009817358 [0,2,0,0,0,0|2,0,0]=4 8917 B17R0.13601 COC(=O)CC(C)NCCCCCCCCCO 34a_100000078944_100009817358 [0,2,0,0,0,0|2,0,0]=4 8918 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCBr 34a_100009813782_100009817358 [0,2,0,0,0,0|2,0,0]=4 8919 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCBr 7a_100009813782_100009817358 [0,2,0,0,0,0|2,0,0]=4 8920 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCCl 34a_100009868337_100009817358 [0,2,0,0,0,0|2,0,0]=4 8921 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCCl 7a_100009868337_100009817358 [0,2,0,0,0,0|2,0,0]=4 8922 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCN 34a_100000078944_100009817358 [0,2,0,0,0,0|2,0,0]=4 8923 B17R0.13601 COC(=O)CC(C)SCCCCCCCCCO 62a_100009813782_100009817358 [0,2,0,0,0,0|2,0,0]=4 8924 B17R0.13601 COC(=O)CC(C)SCCCCCCCCCO 62a_100009817358_100009813782 [0,2,0,0,0,0|2,0,0]=4 8925 B17R0.13601 COC(=O)CN(C)CCCCCCCCCCO 2230a_100000198492_100009813290 [0,2,0,0,0,0|2,0,0]=4 8926 B17R0.13601 COC(=O)C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100000754131 [0,2,0,0,0,0|2,0,0]=4 8927 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100000754131 [0,2,0,0,0,0|2,0,0]=4 8928 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100000754131 [0,2,0,0,0,0|2,0,0]=4 8929 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100000754131 [0,2,0,0,0,0|2,0,0]=4 8930 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100000754131 [0,2,0,0,0,0|2,0,0]=4 8931 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCN 34a_102515433106_100000754131 [0,2,0,0,0,0|2,0,0]=4 8932 B17R0.13601 COC(=O)C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100000754131 [0,2,0,0,0,0|2,0,0]=4 8933 B17R0.13601 COC(=O)C[C@@H](O)CSCCCCCCCCO 62a_100000754131_100000033203 [0,2,0,0,0,0|2,0,0]=4 8934 B17R0.14245 C=C(Br)C(=O)NCCCCCCCCCCCC 11a_100000210451_100009813364 [0,2,0,0,0,0|2,0,0]=4 8935 B17R0.14245 C=C(Br)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100009813364 [0,2,0,0,0,0|2,0,0]=4 8936 B17R0.14245 C=C(C)C(=O)CCCCCCCCCCCCO 1458a_100000185857_100009813331 [0,2,0,0,0,0|2,0,0]=4 8937 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000185857 [0,2,0,0,0,0|2,0,0]=4 8938 B17R0.14245 C=C(C)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185857 [0,2,0,0,0,0|2,0,0]=4 8939 B17R0.14245 C=C(Cl)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000039160 [0,2,0,0,0,0|2,0,0]=4 8940 B17R0.14245 C=C(Cl)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000039160 [0,2,0,0,0,0|2,0,0]=4 8941 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC 11a_100000210451_100000036797 [0,2,0,0,0,0|2,0,0]=4 8942 B17R0.14245 C=C(F)C(=O)NCCCCCCCCCCCC 1626a_100000210451_100000036797 [0,2,0,0,0,0|2,0,0]=4 8943 B17R0.14245 C=CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_102130925996 [0,2,0,0,0,0|0,0,2]=4 8944 B17R0.14245 C=CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_102130925996 [0,2,0,0,0,0|0,0,2]=4 8945 B17R0.14245 C=CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_102130925996 [0,2,0,0,0,0|0,0,2]=4 8946 B17R0.14245 C=CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011093070 [0,2,0,0,0,0|0,0,2]=4 8947 B17R0.14245 C=CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100009814027 [0,2,0,0,0,0|0,0,2]=4 8948 B17R0.14245 C=CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100009814027 [0,2,0,0,0,0|0,0,2]=4 8949 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 34a_100000032740_100009813290 [0,2,0,0,0,0|2,0,0]=4 8950 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 7a_100000032740_100009813290 [0,2,0,0,0,0|2,0,0]=4 8951 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCBr 7a_100009812471_100000179758 [0,2,0,0,0,0|2,0,0]=4 8952 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCO 34a_100000212229_100009812471 [0,2,0,0,0,0|2,0,0]=4 8953 B17R0.14245 CC(=O)C(C)SCCCCCCCCCCCO 62a_100009812471_100009814033 [0,2,0,0,0,0|2,0,0]=4 8954 B17R0.14245 CC(C)C(=O)CCCCCCCCCCCCO 1458a_100000210198_100009813331 [0,2,0,0,0,0|2,0,0]=4 8955 B17R0.14245 CC(CNCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813290 [0,2,0,0,0,0|1,0,0]=3 8956 B17R0.14245 CC(F)C(=O)CCCCCCCCCCCCO 1458a_100000062450_100009813331 [0,2,0,0,0,0|2,0,0]=4 8957 B17R0.14245 CC(OCCCCCCCCCCCBr)C(=O)N 34a_100009812471_100000702099 [0,2,0,0,0,0|2,0,0]=4 8958 B17R0.14245 CC(OCCCCCCCCCCCBr)C(=O)N 7a_100009812471_100000702099 [0,2,0,0,0,0|2,0,0]=4 8959 B17R0.14245 CC(SCCCCCCCCCCCO)C(=O)N 62a_100009812471_100000702099 [0,2,0,0,0,0|2,0,0]=4 8960 B17R0.14245 CCCCC#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000043322 [0,2,0,0,0,0|0,0,2]=4 8961 B17R0.14245 CCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210684 [0,2,0,0,0,0|0,0,0]=2 8962 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000756256 [0,2,0,0,0,0|1,0,0]=3 8963 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000756256 [0,2,0,0,0,0|1,0,0]=3 8964 B17R0.14245 CCCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000756256 [0,2,0,0,0,0|1,0,0]=3 8965 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210684 [0,2,0,0,0,0|0,0,0]=2 8966 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210684 [0,2,0,0,0,0|0,0,0]=2 8967 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N 240690a_100000210451_100011215815 [0,2,0,0,0,0|1,0,1]=4 8968 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 11a_100000210451_100000210198 [0,2,0,0,0,0|2,0,0]=4 8969 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 1626a_100000210451_100000210198 [0,2,0,0,0,0|2,0,0]=4 8970 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 240690a_100000210451_100000210198 [0,2,0,0,0,0|2,0,0]=4 8971 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)C 527a_100000210451_100000210198 [0,2,0,0,0,0|2,0,0]=4 8972 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 11a_100000210451_100000062450 [0,2,0,0,0,0|2,0,0]=4 8973 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 1626a_100000210451_100000062450 [0,2,0,0,0,0|2,0,0]=4 8974 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 240690a_100000210451_100000062450 [0,2,0,0,0,0|2,0,0]=4 8975 B17R0.14245 CCCCCCCCCCCCNC(=O)C(C)F 527a_100000210451_100000062450 [0,2,0,0,0,0|2,0,0]=4 8976 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 11a_100000210451_100000210393 [0,2,0,0,0,0|2,0,0]=4 8977 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 1626a_100000210451_100000210393 [0,2,0,0,0,0|2,0,0]=4 8978 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 240690a_100000210451_100000210393 [0,2,0,0,0,0|2,0,0]=4 8979 B17R0.14245 CCCCCCCCCCCCNC(=O)C(F)F 527a_100000210451_100000210393 [0,2,0,0,0,0|2,0,0]=4 8980 B17R0.14245 CCCCCCCCCCCCNC(=O)C(O)O 240690a_100000210451_100000233687 [0,2,0,0,0,0|1,0,0]=3 8981 B17R0.14245 CCCCCCCCCCCCNC(=O)N(C)C 2708a_100000210451_100102631434 [0,2,0,0,0,0|2,0,0]=4 8982 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000210451_100000717761 [0,2,0,0,0,0|1,0,0]=3 8983 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000210451_217856618621 [0,2,0,0,0,0|1,0,0]=3 8984 B17R0.14245 CCCCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000210451_217856618621 [0,2,0,0,0,0|1,0,0]=3 8985 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)C 2230a_100000210451_100009814033 [0,2,0,0,0,0|1,0,0]=3 8986 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 2230a_100000210451_100000702099 [0,2,0,0,0,0|1,0,0]=3 8987 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 34a_100000210451_100000702099 [0,2,0,0,0,0|1,0,0]=3 8988 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 2230a_100000210451_100009813875 [0,2,0,0,0,0|1,0,0]=3 8989 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 34a_100000210451_100009813875 [0,2,0,0,0,0|1,0,0]=3 8990 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100000210451_100020610796 [0,2,0,0,0,0|0,0,1]=3 8991 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [0,2,0,0,0,0|0,0,0]=2 8992 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215052 [0,2,0,0,0,0|1,0,0]=3 8993 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_100011218549 [0,2,0,0,0,0|1,0,0]=3 8994 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000759014 [0,2,0,0,0,0|1,0,0]=3 8995 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000759014 [0,2,0,0,0,0|1,0,0]=3 8996 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 7a_100000210810_100000179758 [0,2,0,0,0,0|1,0,0]=3 8997 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 34a_100000210810_100000702099 [0,2,0,0,0,0|1,0,0]=3 8998 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 7a_100000210810_100000702099 [0,2,0,0,0,0|1,0,0]=3 8999 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 34a_100000210810_100009813875 [0,2,0,0,0,0|1,0,0]=3 9000 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 7a_100000210810_100009813875 [0,2,0,0,0,0|1,0,0]=3 9001 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210810_100020610796 [0,2,0,0,0,0|0,0,1]=3 9002 B17R0.14245 CCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000759014 [0,2,0,0,0,0|0,0,1]=3 9003 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000759014 [0,2,0,0,0,0|1,0,0]=3 9004 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000759014 [0,2,0,0,0,0|1,0,0]=3 9005 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000759014 [0,2,0,0,0,0|1,0,0]=3 9006 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000759014 [0,2,0,0,0,0|1,0,0]=3 9007 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000759014 [0,2,0,0,0,0|0,0,1]=3 9008 B17R0.14245 CCCCCCCCCCCNCC(=O)C(=O)C 34a_200011215754_100011261029 [0,2,0,0,0,0|1,0,1]=4 9009 B17R0.14245 CCCCCCCCCCCNCC(=O)C(C)C 2230a_200011215754_100000753385 [0,2,0,0,0,0|2,0,0]=4 9010 B17R0.14245 CCCCCCCCCCCNCC(=O)C(C)C 34a_200011215754_100000753385 [0,2,0,0,0,0|2,0,0]=4 9011 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215454 [0,2,0,0,0,0|2,0,0]=4 9012 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 2230a_200011215754_100000185267 [0,2,0,0,0,0|2,0,0]=4 9013 B17R0.14245 CCCCCCCCCCCNCC(=O)N(C)C 34a_200011215754_100000692301 [0,2,0,0,0,0|2,0,0]=4 9014 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [0,2,0,0,0,0|0,0,0]=2 9015 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [0,2,0,0,0,0|0,0,0]=2 9016 B17R0.14245 CCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210809_100011261029 [0,2,0,0,0,0|1,0,1]=4 9017 B17R0.14245 CCCCCCCCCCCOCC(=O)C(C)C 34a_100000210809_100000753385 [0,2,0,0,0,0|2,0,0]=4 9018 B17R0.14245 CCCCCCCCCCCOCC(=O)C(C)C 7a_100000210809_100000753385 [0,2,0,0,0,0|2,0,0]=4 9019 B17R0.14245 CCCCCCCCCCCOCC(=O)N(C)C 34a_100000210809_100000692301 [0,2,0,0,0,0|2,0,0]=4 9020 B17R0.14245 CCCCCCCCCCCOCC(=O)N(C)C 7a_100000210809_100000692301 [0,2,0,0,0,0|2,0,0]=4 9021 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011215454 [0,2,0,0,0,0|1,0,0]=3 9022 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100011215454 [0,2,0,0,0,0|1,0,0]=3 9023 B17R0.14245 CCCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011215454 [0,2,0,0,0,0|1,0,1]=4 9024 B17R0.14245 CCCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100011215454 [0,2,0,0,0,0|1,0,1]=4 9025 B17R0.14245 CCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215454 [0,2,0,0,0,0|1,0,0]=3 9026 B17R0.14245 CCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215454 [0,2,0,0,0,0|1,0,1]=4 9027 B17R0.14245 CCCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100011215454 [0,2,0,0,0,0|2,0,0]=4 9028 B17R0.14245 CCCCCCCCCCNCCC(=O)N(C)C 2230a_100000684558_100000737620 [0,2,0,0,0,0|2,0,0]=4 9029 B17R0.14245 CCCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210320 [0,2,0,0,0,0|2,0,0]=4 9030 B17R0.14245 CCCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210320 [0,2,0,0,0,0|2,0,0]=4 9031 B17R0.14245 CCCCCCCCCCOCCC(=O)N(C)C 7a_100000210711_100000737620 [0,2,0,0,0,0|2,0,0]=4 9032 B17R0.14245 CCCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210320 [0,2,0,0,0,0|2,0,0]=4 9033 B17R0.14245 CCCCCCCCCNCCCC(=O)N(C)C 2230a_100000212291_100000737642 [0,2,0,0,0,0|2,0,0]=4 9034 B17R0.14245 CCCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100011214924 [0,2,0,0,0,0|2,0,0]=4 9035 B17R0.14245 CCCCCCCCCOCCCC(=O)N(C)C 7a_100000210712_100000737642 [0,2,0,0,0,0|2,0,0]=4 9036 B17R0.14245 CCCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210670 [0,2,0,0,0,0|2,0,0]=4 9037 B17R0.14245 CCCCCCCCNCCCCC(=O)N(C)C 34a_100000229939_100000752486 [0,2,0,0,0,0|2,0,0]=4 9038 B17R0.14245 CCCCCCCCOCCCCC(=O)N(C)C 34a_100000210232_100000752486 [0,2,0,0,0,0|2,0,0]=4 9039 B17R0.14245 CCCCCCCCOCCCCC(=O)N(C)C 7a_100000210232_100000752486 [0,2,0,0,0,0|2,0,0]=4 9040 B17R0.14245 CCCCCCCCSCCCCC(=O)N(C)C 62a_100000210759_100000752486 [0,2,0,0,0,0|2,0,0]=4 9041 B17R0.14245 CCCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210317 [0,2,0,0,0,0|2,0,0]=4 9042 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)C 7a_100009875440_100000179758 [0,2,0,0,0,0|2,0,0]=4 9043 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)N 34a_100009875440_100000702099 [0,2,0,0,0,0|2,0,0]=4 9044 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)N 7a_100009875440_100000702099 [0,2,0,0,0,0|2,0,0]=4 9045 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)N 34a_100009875440_100009813875 [0,2,0,0,0,0|2,0,0]=4 9046 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)N 7a_100009875440_100009813875 [0,2,0,0,0,0|2,0,0]=4 9047 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)[O-] 34a_100009875440_100020610796 [0,2,0,0,0,0|1,0,1]=4 9048 B17R0.14245 CN(C)C(=O)CCCCCCCCCCCCO 240690a_100102631434_100102582631 [0,2,0,0,0,0|2,0,0]=4 9049 B17R0.14245 C[C@@H](NCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009812471 [0,2,0,0,0,0|2,0,0]=4 9050 B17R0.14245 C[C@@H](NCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009812471 [0,2,0,0,0,0|2,0,0]=4 9051 B17R0.14245 C[C@@H](O)C(=O)CCCCCCCCCCCCO 1458a_100000717761_100009813331 [0,2,0,0,0,0|1,0,0]=3 9052 B17R0.14245 C[C@@H](O)C(=O)CCCCCCOCCCCCO 1458a_100000717761_200132310570 [0,2,0,0,0,0|2,0,0]=4 9053 B17R0.14245 C[C@@H](OCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009812471 [0,2,0,0,0,0|2,0,0]=4 9054 B17R0.14245 C[C@@H](OCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009812471 [0,2,0,0,0,0|2,0,0]=4 9055 B17R0.14245 C[C@H](NCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009812471 [0,2,0,0,0,0|1,0,0]=3 9056 B17R0.14245 C[C@H](O)C(=O)CCCCCCCCCCCCO 1458a_217856618621_100009813331 [0,2,0,0,0,0|1,0,0]=3 9057 B17R0.14245 C[C@H](O)C(=O)CCCCCCOCCCCCO 1458a_217856618621_200132310570 [0,2,0,0,0,0|2,0,0]=4 9058 B17R0.14245 C[C@H](OCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009812471 [0,2,0,0,0,0|1,0,1]=4 9059 B17R0.14245 NC(=O)C(F)OCCCCCCCCCCCBr 34a_100009812471_100009813875 [0,2,0,0,0,0|2,0,0]=4 9060 B17R0.14245 NC(=O)C(F)OCCCCCCCCCCCBr 7a_100009812471_100009813875 [0,2,0,0,0,0|2,0,0]=4 9061 B17R0.14245 NC(=O)C(F)SCCCCCCCCCCCO 62a_100009812471_100009813875 [0,2,0,0,0,0|2,0,0]=4 9062 B17R0.14245 NC(=O)[C@@H](N)COCCCCCCCCCCO 34a_100000729942_100009813290 [0,2,0,0,0,0|2,0,0]=4 9063 B17R0.14245 O=C(CCCCCCCCCCCCO)C(O)O 1458a_100000233687_100009813331 [0,2,0,0,0,0|1,0,0]=3 9064 B17R0.14245 O=C(CCCCCCOCCCCCO)C(O)O 1458a_100000233687_200132310570 [0,2,0,0,0,0|2,0,0]=4 9065 B17R0.14245 O=C(O)C(F)CNCCCCCCCCCCO 269956a_100000084737_100009813290 [0,2,0,0,0,0|1,0,0]=3 9066 B17R0.14245 O=C([O-])C(F)OCCCCCCCCCCCBr 34a_100009812471_100020610796 [0,2,0,0,0,0|1,0,1]=4 9067 B17R0.14245 O=C([O-])C(F)SCCCCCCCCCCCO 62a_100009812471_100020610796 [0,2,0,0,0,0|1,0,1]=4 9068 B17R0.14363 C#CC(C)NCCCCCCCCCCC(=O)N 2230a_100000707721_200010167045 [0,2,0,0,0,0|2,0,0]=4 9069 B17R0.14363 C#CC(C)NCCCCCCCCCCC(=O)N 34a_100000707721_200010167045 [0,2,0,0,0,0|2,0,0]=4 9070 B17R0.14363 C#CC(C)SCCCCCCCCCCC(=O)N 62a_200000035995_200010167045 [0,2,0,0,0,0|2,0,0]=4 9071 B17R0.14363 C#C[C@@H](C)OCCCCCCCCCCC(=O)N 34a_100009815206_200010167045 [0,2,0,0,0,0|2,0,0]=4 9072 B17R0.14363 C#C[C@@H](C)OCCCCCCCCCCC(=O)N 7a_100009815206_200010167045 [0,2,0,0,0,0|2,0,0]=4 9073 B17R0.14363 C=C(C)CCOCCCCCCCCC(=O)OC 34a_100000035544_100000730704 [0,2,0,0,0,0|1,0,1]=4 9074 B17R0.14363 C=C(C)CCOCCCCCCCCC(=O)OC 34a_100000764851_100010282707 [0,2,0,0,0,0|1,0,1]=4 9075 B17R0.14363 C=C(C)CCOCCCCCCCCC(=O)OC 7a_100000035544_100000730704 [0,2,0,0,0,0|1,0,1]=4 9076 B17R0.14363 C=C(C)CCSCCCCCCCCC(=O)OC 62a_100000730704_100010282707 [0,2,0,0,0,0|1,0,1]=4 9077 B17R0.14363 C=C(C)CCSCCCCCCCCC(=O)OC 62a_100010282707_100000730704 [0,2,0,0,0,0|1,0,1]=4 9078 B17R0.14363 C=C(C)COCCCCCCCCCC(=O)OC 34a_100000210245_100009813843 [0,2,0,0,0,0|1,0,1]=4 9079 B17R0.14363 C=C(C)CSCCCCCCCCCC(=O)OC 62a_100000748629_100009813843 [0,2,0,0,0,0|1,0,1]=4 9080 B17R0.14363 C=CC(C)OCCCCCCCCCCC(=O)N 34a_100000695699_200010167045 [0,2,0,0,0,0|2,0,0]=4 9081 B17R0.14363 C=CC(C)SCCCCCCCCCCC(=O)N 62a_100011215867_200010167045 [0,2,0,0,0,0|2,0,0]=4 9082 B17R0.14363 CC(C#N)NCCCCCCCCCCC(=O)N 2230a_100000737613_200010167045 [0,2,0,0,0,0|2,0,0]=4 9083 B17R0.14363 CC(C#N)OCCCCCCCCCCC(=O)N 34a_100011218135_200010167045 [0,2,0,0,0,0|2,0,0]=4 9084 B17R0.14363 CC(C#N)SCCCCCCCCCCC(=O)N 62a_100000703298_200010167045 [0,2,0,0,0,0|2,0,0]=4 9085 B17R0.14363 CC(C#N)SCCCCCCCCCCC(=O)N 62a_200010167045_100000703298 [0,2,0,0,0,0|2,0,0]=4 9086 B17R0.14363 CC(CF)OCCCCCCCCCCC(=O)N 34a_100016041109_200010167045 [0,2,0,0,0,0|2,0,0]=4 9087 B17R0.14363 CC(CF)OCCCCCCCCCCC(=O)N 7a_100016041109_200010167045 [0,2,0,0,0,0|2,0,0]=4 9088 B17R0.14363 CC(CN)OCCCCCCCCCCC(=O)N 34a_100000210904_200010167045 [0,2,0,0,0,0|2,0,0]=4 9089 B17R0.14363 CC(CO)SCCCCCCCCCCC(=O)N 62a_100012180447_200010167045 [0,2,0,0,0,0|2,0,0]=4 9090 B17R0.14363 CCC(C)CCCCCOCCCCCB(O)O 7a_200000035636_200009817188 [0,2,0,0,0,0|1,0,1]=4 9091 B17R0.14363 CCC(C)CCCCCOCCCCCC(=O)N 7a_200000035636_100009817443 [0,2,0,0,0,0|1,0,0]=3 9092 B17R0.14363 CCC(C)CCCCCOCCCCOC(=O)C 7a_200000035636_100000033659 [0,2,0,0,0,0|2,0,0]=4 9093 B17R0.14363 CCC(C)CCCCCOCCCCSC(=O)C 7a_200000035636_200010402107 [0,2,0,0,0,0|2,0,0]=4 9094 B17R0.14363 CCC(C)NCCCCCCCCCCC(=O)N 2230a_100000209981_200010167045 [0,2,0,0,0,0|1,0,0]=3 9095 B17R0.14363 CCC(C)OCCCCCCCCCCC(=O)N 7a_100000210228_200010167045 [0,2,0,0,0,0|1,0,0]=3 9096 B17R0.14363 CCC(C)SCCCCCCCCCCC(=O)N 62a_100000758301_200010167045 [0,2,0,0,0,0|1,0,0]=3 9097 B17R0.14363 CCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000758301 [0,2,0,0,0,0|1,0,0]=3 9098 B17R0.14363 CNC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000741757 [0,2,0,0,0,0|2,0,0]=4 9099 B17R0.14363 CNC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100000741757 [0,2,0,0,0,0|2,0,0]=4 9100 B17R0.14363 COC(=O)CCCCCCCCCCCC(=O)C 1458a_100000070787_100010983606 [0,2,0,0,0,0|0,0,1]=3 9101 B17R0.14363 COC(=O)CCCCCCCCCCCN(C)C 2230a_100102631434_100010983606 [0,2,0,0,0,0|1,0,0]=3 9102 B17R0.14363 COC(=O)CCCCCCCCCCCN(C)C 269982a_100102631434_100010983606 [0,2,0,0,0,0|1,0,0]=3 9103 B17R0.14363 COC(=O)CCCCCCCCCCNC(=O)C 188690a_202495363284_100015343762 [0,2,0,0,0,0|1,0,1]=4 9104 B17R0.14363 COC(=O)CCCCCCCCCCNC(C)C 2230a_100138425928_100009812566 [0,2,0,0,0,0|1,0,0]=3 9105 B17R0.14363 COC(=O)CCCCCCCCCCNC(C)C 34a_100138425928_100009812566 [0,2,0,0,0,0|1,0,0]=3 9106 B17R0.14363 COC(=O)CCCCCCCCCCOC(C)C 34a_100000212225_100009812566 [0,2,0,0,0,0|1,0,0]=3 9107 B17R0.14363 COC(=O)CCCCCCCCCCOC(C)C 34a_100011003013_100000210206 [0,2,0,0,0,0|1,0,0]=3 9108 B17R0.14363 COC(=O)CCCCCCCCCCOC(C)C 7a_100011003013_100000210206 [0,2,0,0,0,0|1,0,0]=3 9109 B17R0.14363 COC(=O)CCCCCCCCCCSC(C)C 62a_100000210206_100009812566 [0,2,0,0,0,0|1,0,0]=3 9110 B17R0.14363 COC(=O)CCCCCCCCCNCC(=O)O 269956a_100016091260_100009813843 [0,2,0,0,0,0|1,0,1]=4 9111 B17R0.14363 COC(=O)CCCCCCCCCNCC(C)C 2230a_100000210953_100009813843 [0,2,0,0,0,0|1,0,0]=3 9112 B17R0.14363 COC(=O)CCCCCCCCCNCC(C)C 34a_100000210953_100009813843 [0,2,0,0,0,0|1,0,0]=3 9113 B17R0.14363 COC(=O)CCCCCCCCCNCC(C)O 2230a_100000210904_100009813843 [0,2,0,0,0,0|1,0,0]=3 9114 B17R0.14363 COC(=O)CCCCCCCCCNCC(C)O 34a_100000210904_100009813843 [0,2,0,0,0,0|1,0,0]=3 9115 B17R0.14363 COC(=O)CCCCCCCCCNCC(F)F 34a_100000765723_100009813843 [0,2,0,0,0,0|2,0,0]=4 9116 B17R0.14363 COC(=O)CCCCCCCCCOCC(=O)C 34a_100000211253_100009813843 [0,2,0,0,0,0|1,0,1]=4 9117 B17R0.14363 COC(=O)CCCCCCCCCOCC(C)Br 34a_100012180447_100009813843 [0,2,0,0,0,0|1,0,0]=3 9118 B17R0.14363 COC(=O)CCCCCCCCCOCC(C)C 34a_100000210257_100009813843 [0,2,0,0,0,0|1,0,0]=3 9119 B17R0.14363 COC(=O)CCCCCCCCCOCC(C)F 34a_100015925927_100009813843 [0,2,0,0,0,0|1,0,0]=3 9120 B17R0.14363 COC(=O)CCCCCCCCCOCC(F)F 34a_100000743014_100009813843 [0,2,0,0,0,0|2,0,0]=4 9121 B17R0.14363 COC(=O)CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100009813843 [0,2,0,0,0,0|1,0,0]=3 9122 B17R0.14363 COC(=O)CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100009813843 [0,2,0,0,0,0|1,0,0]=3 9123 B17R0.14363 COC(=O)CCCCCCCCCSCC(C)C 62a_100000210624_100009813843 [0,2,0,0,0,0|1,0,0]=3 9124 B17R0.14363 COC(=O)CCCCCCCCCSCC(C)O 62a_100011218427_100009813843 [0,2,0,0,0,0|1,0,0]=3 9125 B17R0.14363 COC(=O)CCCCCCCCCSCC(F)F 62a_100011934356_100009813843 [0,2,0,0,0,0|2,0,0]=4 9126 B17R0.14363 COC(=O)CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100009813843 [0,2,0,0,0,0|1,0,0]=3 9127 B17R0.14363 COC(=O)CCCCCCCCNCCC(C)O 2230a_200000755665_100010282707 [0,2,0,0,0,0|1,0,0]=3 9128 B17R0.14363 COC(=O)CCCCCCCCOCCC(=O)C 34a_100000759926_100010282707 [0,2,0,0,0,0|1,0,1]=4 9129 B17R0.14363 COC(=O)CCCCCCCCOCCC(=O)C 7a_100000035544_100000053229 [0,2,0,0,0,0|1,0,1]=4 9130 B17R0.14363 COC(=O)CCCCCCCCOCCC(=O)C 7a_100000759926_100010282707 [0,2,0,0,0,0|1,0,1]=4 9131 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)Br 34a_100009893172_100010282707 [0,2,0,0,0,0|1,0,0]=3 9132 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)C 34a_100000035544_100000210312 [0,2,0,0,0,0|1,0,0]=3 9133 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)C 34a_100000210254_100010282707 [0,2,0,0,0,0|1,0,0]=3 9134 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)C 7a_100000035544_100000210626 [0,2,0,0,0,0|1,0,0]=3 9135 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)C 7a_100000210254_100010282707 [0,2,0,0,0,0|1,0,0]=3 9136 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)O 34a_100000035544_100012276601 [0,2,0,0,0,0|1,0,0]=3 9137 B17R0.14363 COC(=O)CCCCCCCCOCCC(C)O 7a_100000035544_100012276601 [0,2,0,0,0,0|1,0,0]=3 9138 B17R0.14363 COC(=O)CCCCCCCCOCCC(F)F 34a_100103093639_100010282707 [0,2,0,0,0,0|2,0,0]=4 9139 B17R0.14363 COC(=O)CCCCCCCCOCCN(C)C 7a_100000035544_100000755713 [0,2,0,0,0,0|2,0,0]=4 9140 B17R0.14363 COC(=O)CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100010282707 [0,2,0,0,0,0|1,0,0]=3 9141 B17R0.14363 COC(=O)CCCCCCCCOCOC(C)C 34a_100000035544_100000709892 [0,2,0,0,0,0|2,0,0]=4 9142 B17R0.14363 COC(=O)CCCCCCCCSCCC(=O)C 62a_100000053229_100010282707 [0,2,0,0,0,0|1,0,1]=4 9143 B17R0.14363 COC(=O)CCCCCCCCSCCC(=O)C 62a_100010282707_100000053229 [0,2,0,0,0,0|1,0,1]=4 9144 B17R0.14363 COC(=O)CCCCCCCCSCCC(C)C 62a_100000210312_100010282707 [0,2,0,0,0,0|1,0,0]=3 9145 B17R0.14363 COC(=O)CCCCCCCCSCCC(C)C 62a_100010282707_100000210312 [0,2,0,0,0,0|1,0,0]=3 9146 B17R0.14363 COC(=O)CCCCCCCCSCCC(C)O 62a_100010282707_100012276601 [0,2,0,0,0,0|1,0,0]=3 9147 B17R0.14363 COC(=O)CCCCCCCCSCCC(C)O 62a_100012276601_100010282707 [0,2,0,0,0,0|1,0,0]=3 9148 B17R0.14363 COC(=O)CCCCCCCCSCCN(C)C 62a_100010282707_100000755713 [0,2,0,0,0,0|2,0,0]=4 9149 B17R0.14363 COC(=O)CCCCCCCCSCOC(C)C 62a_100000709892_100010282707 [0,2,0,0,0,0|2,0,0]=4 9150 B17R0.14363 COC(=O)CCCCCCCCSCOC(C)C 62a_100010282707_100000709892 [0,2,0,0,0,0|2,0,0]=4 9151 B17R0.14363 COC(=O)CCCCCCCNCCCC(C)C 2230a_200000737386_100010004213 [0,2,0,0,0,0|1,0,0]=3 9152 B17R0.14363 COC(=O)CCCCCCCNCCCC(C)C 34a_200000737386_100010004213 [0,2,0,0,0,0|1,0,0]=3 9153 B17R0.14363 COC(=O)CCCCCCCNCCCS(=O)C 2230a_200000753449_100010004213 [0,2,0,0,0,0|2,0,0]=4 9154 B17R0.14363 COC(=O)CCCCCCCNCCOC(C)C 2230a_100000701111_100010004213 [0,2,0,0,0,0|2,0,0]=4 9155 B17R0.14363 COC(=O)CCCCCCCNCCOC(C)C 34a_100000701111_100010004213 [0,2,0,0,0,0|2,0,0]=4 9156 B17R0.14363 COC(=O)CCCCCCCNCCSC(C)C 2230a_100000731138_100010004213 [0,2,0,0,0,0|2,0,0]=4 9157 B17R0.14363 COC(=O)CCCCCCCNCCSC(C)C 34a_100000731138_100010004213 [0,2,0,0,0,0|2,0,0]=4 9158 B17R0.14363 COC(=O)CCCCCCCOCCCC(=O)C 34a_100000759063_100010004213 [0,2,0,0,0,0|1,0,1]=4 9159 B17R0.14363 COC(=O)CCCCCCCOCCCC(=O)C 34a_100011022521_100000685027 [0,2,0,0,0,0|1,0,1]=4 9160 B17R0.14363 COC(=O)CCCCCCCOCCCC(=O)C 7a_100000759063_100010004213 [0,2,0,0,0,0|1,0,1]=4 9161 B17R0.14363 COC(=O)CCCCCCCOCCCC(=O)C 7a_100011022521_100011215641 [0,2,0,0,0,0|1,0,1]=4 9162 B17R0.14363 COC(=O)CCCCCCCOCCCC(C)C 34a_100000210774_100010004213 [0,2,0,0,0,0|1,0,0]=3 9163 B17R0.14363 COC(=O)CCCCCCCOCCCC(C)C 34a_100011022521_100011214892 [0,2,0,0,0,0|1,0,0]=3 9164 B17R0.14363 COC(=O)CCCCCCCOCCCC(C)C 7a_100000210774_100010004213 [0,2,0,0,0,0|1,0,0]=3 9165 B17R0.14363 COC(=O)CCCCCCCOCCCC(C)C 7a_100011022521_100011214892 [0,2,0,0,0,0|1,0,0]=3 9166 B17R0.14363 COC(=O)CCCCCCCOCCCC(C)O 34a_100011022521_200000718107 [0,2,0,0,0,0|1,0,0]=3 9167 B17R0.14363 COC(=O)CCCCCCCOCCCC(C)O 7a_100011022521_200000718107 [0,2,0,0,0,0|1,0,0]=3 9168 B17R0.14363 COC(=O)CCCCCCCOCCCN(C)C 7a_100011022521_100000757444 [0,2,0,0,0,0|2,0,0]=4 9169 B17R0.14363 COC(=O)CCCCCCCOCCNC(C)C 34a_100000224655_100010004213 [0,2,0,0,0,0|2,0,0]=4 9170 B17R0.14363 COC(=O)CCCCCCCOCCOC(C)C 34a_100000211219_100010004213 [0,2,0,0,0,0|2,0,0]=4 9171 B17R0.14363 COC(=O)CCCCCCCOCCOC(C)C 34a_100011022521_100000211751 [0,2,0,0,0,0|2,0,0]=4 9172 B17R0.14363 COC(=O)CCCCCCCOCCOC(C)C 7a_100000211219_100010004213 [0,2,0,0,0,0|2,0,0]=4 9173 B17R0.14363 COC(=O)CCCCCCCOCCOC(C)C 7a_100011022521_100000211751 [0,2,0,0,0,0|2,0,0]=4 9174 B17R0.14363 COC(=O)CCCCCCCOCCSC(C)C 34a_100011022521_100000730970 [0,2,0,0,0,0|2,0,0]=4 9175 B17R0.14363 COC(=O)CCCCCCCOCCSC(C)C 34a_200011212901_100010004213 [0,2,0,0,0,0|2,0,0]=4 9176 B17R0.14363 COC(=O)CCCCCCCOCCSC(C)C 7a_100011022521_100000730970 [0,2,0,0,0,0|2,0,0]=4 9177 B17R0.14363 COC(=O)CCCCCCCOCCSC(C)C 7a_200011212901_100010004213 [0,2,0,0,0,0|2,0,0]=4 9178 B17R0.14363 COC(=O)CCCCCCCSCCCC(=O)C 62a_100010004213_100011215641 [0,2,0,0,0,0|1,0,1]=4 9179 B17R0.14363 COC(=O)CCCCCCCSCCCC(=O)C 62a_100011215641_100010004213 [0,2,0,0,0,0|1,0,1]=4 9180 B17R0.14363 COC(=O)CCCCCCCSCCCC(C)C 62a_100010004213_100011214892 [0,2,0,0,0,0|1,0,0]=3 9181 B17R0.14363 COC(=O)CCCCCCCSCCCC(C)C 62a_100011214892_100010004213 [0,2,0,0,0,0|1,0,0]=3 9182 B17R0.14363 COC(=O)CCCCCCCSCCCC(C)O 62a_100010004213_200000718107 [0,2,0,0,0,0|1,0,0]=3 9183 B17R0.14363 COC(=O)CCCCCCCSCCCC(C)O 62a_200000718107_100010004213 [0,2,0,0,0,0|1,0,0]=3 9184 B17R0.14363 COC(=O)CCCCCCCSCCCN(C)C 62a_100010004213_100000757444 [0,2,0,0,0,0|2,0,0]=4 9185 B17R0.14363 COC(=O)CCCCCCCSCCOC(C)C 62a_100000211751_100010004213 [0,2,0,0,0,0|2,0,0]=4 9186 B17R0.14363 COC(=O)CCCCCCCSCCOC(C)C 62a_100010004213_100000211751 [0,2,0,0,0,0|2,0,0]=4 9187 B17R0.14363 COC(=O)CCCCCCCSCCSC(C)C 62a_100000730970_100010004213 [0,2,0,0,0,0|2,0,0]=4 9188 B17R0.14363 COC(=O)CCCCCCCSCCSC(C)C 62a_100010004213_100000730970 [0,2,0,0,0,0|2,0,0]=4 9189 B17R0.14363 COC(=O)CCCCCCNCCCOC(C)C 2230a_100000737246_100009815986 [0,2,0,0,0,0|2,0,0]=4 9190 B17R0.14363 COC(=O)CCCCCCNCCCOC(C)C 34a_100000737246_100009815986 [0,2,0,0,0,0|2,0,0]=4 9191 B17R0.14363 COC(=O)CCCCCCOCCCCC(=O)C 34a_100009863599_100009817362 [0,2,0,0,0,0|1,0,1]=4 9192 B17R0.14363 COC(=O)CCCCCCOCCCCC(=O)C 7a_100009863599_100000735457 [0,2,0,0,0,0|1,0,1]=4 9193 B17R0.14363 COC(=O)CCCCCCOCCCCC(C)C 34a_100009863599_100011216152 [0,2,0,0,0,0|1,0,0]=3 9194 B17R0.14363 COC(=O)CCCCCCOCCCCC(C)C 34a_100011214890_100009815986 [0,2,0,0,0,0|1,0,0]=3 9195 B17R0.14363 COC(=O)CCCCCCOCCCCC(C)C 7a_100009863599_100011216152 [0,2,0,0,0,0|1,0,0]=3 9196 B17R0.14363 COC(=O)CCCCCCOCCCCC(C)C 7a_100011214890_100009815986 [0,2,0,0,0,0|1,0,0]=3 9197 B17R0.14363 COC(=O)CCCCCCOCCCNC(C)C 34a_100000182298_100009815986 [0,2,0,0,0,0|2,0,0]=4 9198 B17R0.14363 COC(=O)CCCCCCOCCNCC(C)C 34a_100015185251_100009815986 [0,2,0,0,0,0|2,0,0]=4 9199 B17R0.14363 COC(=O)CCCCCCOCCOCC(C)C 34a_100000703358_100009815986 [0,2,0,0,0,0|2,0,0]=4 9200 B17R0.14363 COC(=O)CCCCCCOCCOCC(C)C 7a_100000703358_100009815986 [0,2,0,0,0,0|2,0,0]=4 9201 B17R0.14363 COC(=O)CCCCCCOCCSCC(C)C 34a_200000230437_100009815986 [0,2,0,0,0,0|2,0,0]=4 9202 B17R0.14363 COC(=O)CCCCCCOCCSCC(C)C 7a_200000230437_100009815986 [0,2,0,0,0,0|2,0,0]=4 9203 B17R0.14363 COC(=O)CCCCCCSCCCCC(=O)C 62a_100000735457_100009815986 [0,2,0,0,0,0|1,0,1]=4 9204 B17R0.14363 COC(=O)CCCCCCSCCCCC(=O)C 62a_100009815986_100000735457 [0,2,0,0,0,0|1,0,1]=4 9205 B17R0.14363 COC(=O)CCCCCCSCCCCC(C)C 62a_100009815986_100011216152 [0,2,0,0,0,0|1,0,0]=3 9206 B17R0.14363 COC(=O)CCCCCCSCCCCC(C)C 62a_100011216152_100009815986 [0,2,0,0,0,0|1,0,0]=3 9207 B17R0.14363 COC(=O)CCCCCCSCCCCN(C)C 62a_100009815986_100000690147 [0,2,0,0,0,0|2,0,0]=4 9208 B17R0.14363 COC(=O)CCCCCNCCCCCC(C)C 2230a_100011290863_100009816466 [0,2,0,0,0,0|1,0,0]=3 9209 B17R0.14363 COC(=O)CCCCCNCCCCCC(C)C 34a_100011290863_100009816466 [0,2,0,0,0,0|1,0,0]=3 9210 B17R0.14363 COC(=O)CCCCCNCCCOCC(C)C 2230a_100000205972_100009816466 [0,2,0,0,0,0|2,0,0]=4 9211 B17R0.14363 COC(=O)CCCCCNCCCOCC(C)C 34a_100000205972_100009816466 [0,2,0,0,0,0|2,0,0]=4 9212 B17R0.14363 COC(=O)CCCCCOCCCCCC(C)C 34a_100000074720_100000210682 [0,2,0,0,0,0|1,0,0]=3 9213 B17R0.14363 COC(=O)CCCCCOCCCCCC(C)C 34a_100011995859_100009816466 [0,2,0,0,0,0|1,0,0]=3 9214 B17R0.14363 COC(=O)CCCCCOCCCCCC(C)C 7a_100000074720_100000210682 [0,2,0,0,0,0|1,0,0]=3 9215 B17R0.14363 COC(=O)CCCCCOCCCCCC(C)C 7a_100011995859_100009816466 [0,2,0,0,0,0|1,0,0]=3 9216 B17R0.14363 COC(=O)CCCCCOCCCCNC(C)C 34a_100011521146_100009816466 [0,2,0,0,0,0|2,0,0]=4 9217 B17R0.14363 COC(=O)CCCCCSCCCCCC(C)C 62a_100000210682_100009816466 [0,2,0,0,0,0|1,0,0]=3 9218 B17R0.14363 COC(=O)CCCCCSCCCCCC(C)C 62a_100009816466_100000210682 [0,2,0,0,0,0|1,0,0]=3 9219 B17R0.14363 COC(=O)CCCCNCCCCCCC(C)C 2230a_100000211014_100000204269 [0,2,0,0,0,0|1,0,0]=3 9220 B17R0.14363 COC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100000204269 [0,2,0,0,0,0|1,0,0]=3 9221 B17R0.14363 COC(=O)CCCCOCCCCCNC(C)C 34a_100011629493_100000204269 [0,2,0,0,0,0|2,0,0]=4 9222 B17R0.14363 COC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000742333 [0,2,0,0,0,0|1,0,0]=3 9223 B17R0.14363 COC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011218270 [0,2,0,0,0,0|1,0,0]=3 9224 B17R0.14363 COC(=O)COCCNCCCCCCC(C)C 2230a_100000211014_100000090808 [0,2,0,0,0,0|2,0,0]=4 9225 B17R0.14363 COC(=O)COCCNCCCCCCC(C)C 34a_100000211014_100000090808 [0,2,0,0,0,0|2,0,0]=4 9226 B17R0.14363 COC(C)SCCCCCCCCCCC(=O)N 62a_100009879195_200010167045 [0,2,0,0,0,0|2,0,0]=4 9227 B17R0.14363 COC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100009879195 [0,2,0,0,0,0|2,0,0]=4 9228 B17R0.14363 C[C@H](CO)NCCCCCCCCCCC(=O)N 2230a_100000737577_200010167045 [0,2,0,0,0,0|2,0,0]=4 9229 B17R0.14363 C[C@H](CO)SCCCCCCCCCCC(=O)N 62a_100016084084_200010167045 [0,2,0,0,0,0|2,0,0]=4 9230 B17R0.14363 C[C@H](CO)SCCCCCCCCCCC(=O)N 62a_200010167045_100016084084 [0,2,0,0,0,0|2,0,0]=4 9231 B17R0.188 C=C[C@H](NCCCCCCCCCCC)C(=O)O 269956a_100016992060_100011215454 [0,2,0,0,0,0|1,0,0]=3 9232 B17R0.188 C=C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100016992060_100009813290 [0,2,0,0,0,0|2,0,0]=4 9233 B17R0.188 CCCCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011215454 [0,2,0,0,0,0|2,0,0]=4 9234 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011215454 [0,2,0,0,0,0|2,0,0]=4 9235 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 2230a_200011215754_100000750255 [0,2,0,0,0,0|2,0,0]=4 9236 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100011215454 [0,2,0,0,0,0|2,0,0]=4 9237 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 34a_200011215754_100000750255 [0,2,0,0,0,0|2,0,0]=4 9238 B17R0.188 CCCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100011215454 [0,2,0,0,0,0|1,0,0]=3 9239 B17R0.188 CCCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215454 [0,2,0,0,0,0|2,0,0]=4 9240 B17R0.188 CCCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100011215454 [0,2,0,0,0,0|2,0,0]=4 9241 B17R0.188 CCCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215454 [0,2,0,0,0,0|1,0,0]=3 9242 B17R0.188 CCCCCCCCCCCOC(CC)C(=O)N 34a_100000210809_100000750255 [0,2,0,0,0,0|2,0,0]=4 9243 B17R0.188 CCCCCCCCCCCOC(CC)C(=O)N 7a_100000210809_100000750255 [0,2,0,0,0,0|2,0,0]=4 9244 B17R0.188 CCCCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100011215454 [0,2,0,0,0,0|2,0,0]=4 9245 B17R0.188 CC[C@@H](NCCCCCCCCCCO)C(=O)O 269956a_100000747097_100009813290 [0,2,0,0,0,0|2,0,0]=4 9246 B17R0.188 O=C(O)C(CO)NCCCCCCCCCCO 269956a_100000187304_100009813290 [0,2,0,0,0,0|2,0,0]=4 9247 B17R0.191 CC(C(=O)O)N(C)CCCCCCCCCCO 269956a_100000749554_100009813290 [0,2,0,0,0,0|2,0,0]=4 9248 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210736_100000179758 [0,2,0,0,0,0|1,0,1]=4 9249 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210736_100000702099 [0,2,0,0,0,0|1,0,1]=4 9250 B17R0.191 CCCCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210736_100009813875 [0,2,0,0,0,0|1,0,1]=4 9251 B17R0.191 CCCCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210736_100020610796 [0,2,0,0,0,0|0,0,2]=4 9252 B17R0.191 CCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100011215454 [0,2,0,0,0,0|1,0,0]=3 9253 B17R0.191 CCCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210320 [0,2,0,0,0,0|2,0,0]=4 9254 B17R0.3111 CCCCCCCCCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_200011218516 [0,2,0,0,0,0|2,0,0]=4 9255 B17R0.3218 CC(C)(CNCCCCCCCCCO)C(=O)O 269956a_100000693527_100009813782 [0,2,0,0,0,0|2,0,0]=4 9256 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215454 [0,2,0,0,0,0|2,0,0]=4 9257 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 2230a_200011215754_100000702505 [0,2,0,0,0,0|2,0,0]=4 9258 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100011215454 [0,2,0,0,0,0|2,0,0]=4 9259 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 34a_200011215754_100000702505 [0,2,0,0,0,0|2,0,0]=4 9260 B17R0.3218 CCCCCCCCCCCNC(F)(F)C(=O)[O-] 34a_200011215754_100020612412 [0,2,0,0,0,0|1,0,1]=4 9261 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011215454 [0,2,0,0,0,0|2,0,0]=4 9262 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000210809_100000075568 [0,2,0,0,0,0|2,0,0]=4 9263 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100011215454 [0,2,0,0,0,0|2,0,0]=4 9264 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210809_100000702505 [0,2,0,0,0,0|2,0,0]=4 9265 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100011215454 [0,2,0,0,0,0|2,0,0]=4 9266 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210809_100000702505 [0,2,0,0,0,0|2,0,0]=4 9267 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100011215454 [0,2,0,0,0,0|2,0,0]=4 9268 B17R0.3218 CCCCCCCCCCCOC(F)(F)C(=O)N 7a_100000210809_100009811971 [0,2,0,0,0,0|2,0,0]=4 9269 B17R0.3218 CCCCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210809_100020612412 [0,2,0,0,0,0|1,0,1]=4 9270 B17R0.3218 CCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100011215454 [0,2,0,0,0,0|2,0,0]=4 9271 B17R0.3218 CCCCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100011215454 [0,2,0,0,0,0|2,0,0]=4 9272 B17R0.3218 CCCCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100011215454 [0,2,0,0,0,0|1,0,1]=4 9273 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210320 [0,2,0,0,0,0|2,0,0]=4 9274 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000684558_200009895572 [0,2,0,0,0,0|2,0,0]=4 9275 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210320 [0,2,0,0,0,0|2,0,0]=4 9276 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210320 [0,2,0,0,0,0|1,0,0]=3 9277 B17R0.3218 CCCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210320 [0,2,0,0,0,0|1,0,0]=3 9278 B17R0.3218 CCCCCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210320 [0,2,0,0,0,0|2,0,0]=4 9279 B17R0.3218 CCCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210711_200009895572 [0,2,0,0,0,0|2,0,0]=4 9280 B17R0.3218 CCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210320 [0,2,0,0,0,0|2,0,0]=4 9281 B17R0.3218 O=C(O)C(F)(F)CNCCCCCCCCCO 269956a_100000734215_100009813782 [0,2,0,0,0,0|2,0,0]=4 9282 B17R0.13610 CCCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_200011219864 [0,2,0,0,0,0|2,0,0]=4 9283 B17R0.13610 CCCCCCCCCCC(C)OC(C)C(=O)C 7a_100011215000_100000179758 [0,2,0,0,0,0|2,0,0]=4 9284 B17R0.13610 CCCCCCCCCCC(C)OC(C)C(=O)N 34a_100011215000_100000702099 [0,2,0,0,0,0|2,0,0]=4 9285 B17R0.13610 CCCCCCCCCCC(C)OC(C)C(=O)N 7a_100011215000_100000702099 [0,2,0,0,0,0|2,0,0]=4 9286 B17R0.13610 CCCCCCCCCCC(C)OC(F)C(=O)N 34a_100011215000_100009813875 [0,2,0,0,0,0|2,0,0]=4 9287 B17R0.13610 CCCCCCCCCCC(C)OC(F)C(=O)N 7a_100011215000_100009813875 [0,2,0,0,0,0|2,0,0]=4 9288 B17R0.13610 CCCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011215000_100020610796 [0,2,0,0,0,0|1,0,1]=4 9289 B17R0.38 C=CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011933949 [0,2,0,0,0,0|0,0,2]=4 9290 B17R0.38 CC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215641 [0,2,0,0,0,0|1,0,1]=4 9291 B17R0.38 CC(CCCC(=O)[O-])OCCCCCCCCO 7a_100000761597_100000033203 [0,2,0,0,0,0|1,0,1]=4 9292 B17R0.38 CCC#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_200000036426 [0,2,0,0,0,0|0,0,2]=4 9293 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [0,2,0,0,0,0|1,0,0]=3 9294 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210375_100102525003 [0,2,0,0,0,0|1,0,0]=3 9295 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210375_200000718107 [0,2,0,0,0,0|1,0,1]=4 9296 B17R0.38 CCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210319 [0,2,0,0,0,0|1,0,1]=4 9297 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210319 [0,2,0,0,0,0|1,0,1]=4 9298 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210375_100000189650 [0,2,0,0,0,0|1,0,1]=4 9299 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210319 [0,2,0,0,0,0|1,0,1]=4 9300 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210375_200000034859 [0,2,0,0,0,0|1,0,1]=4 9301 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210375_100009814007 [0,2,0,0,0,0|1,0,1]=4 9302 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210375_200011214921 [0,2,0,0,0,0|1,0,1]=4 9303 B17R0.38 CCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210319 [0,2,0,0,0,0|1,0,1]=4 9304 B17R0.38 CCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210319 [0,2,0,0,0,0|1,0,1]=4 9305 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210375 [0,2,0,0,0,0|1,0,1]=4 9306 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210375 [0,2,0,0,0,0|1,0,1]=4 9307 B17R0.38 CCCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_200011219864 [0,2,0,0,0,0|1,0,1]=4 9308 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)C 7a_100011215000_100000053229 [0,2,0,0,0,0|1,0,0]=3 9309 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)N 34a_100011215000_100000731001 [0,2,0,0,0,0|1,0,0]=3 9310 B17R0.38 CCCCCCCCCCC(C)OCCC(=O)N 7a_100011215000_100000744528 [0,2,0,0,0,0|1,0,0]=3 9311 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 34a_100011215000_100012276601 [0,2,0,0,0,0|1,0,1]=4 9312 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 7a_100011215000_100012276601 [0,2,0,0,0,0|1,0,1]=4 9313 B17R0.38 CCCCCCCCCCC(C)OCOC(=O)C 34a_100011215000_100009813279 [0,2,0,0,0,0|2,0,0]=4 9314 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)C 269982a_100000207566_100011215641 [0,2,0,0,0,0|1,0,0]=3 9315 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)N 269982a_100000207566_100102525003 [0,2,0,0,0,0|1,0,0]=3 9316 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [0,2,0,0,0,0|0,0,0]=2 9317 B17R0.38 CCCCCCCCCCN(C)CCCC(C)O 2230a_100000207566_200000718107 [0,2,0,0,0,0|1,0,1]=4 9318 B17R0.38 CCCCCCCCCCN(C)CCCC(C)O 269982a_100000207566_200000718107 [0,2,0,0,0,0|1,0,1]=4 9319 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)C 2230a_100000207566_100000189650 [0,2,0,0,0,0|2,0,0]=4 9320 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)C 269982a_100000207566_100000189650 [0,2,0,0,0,0|2,0,0]=4 9321 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)N 2230a_100000207566_200000034859 [0,2,0,0,0,0|2,0,0]=4 9322 B17R0.38 CCCCCCCCCCN(C)CCNC(=O)N 269982a_100000207566_200000034859 [0,2,0,0,0,0|2,0,0]=4 9323 B17R0.38 CCCCCCCCCCN(C)CCOC(=O)C 269982a_100000207566_100009814007 [0,2,0,0,0,0|2,0,0]=4 9324 B17R0.38 CCCCCCCCCCN(C)CCOC(=O)N 269982a_100000207566_200011214921 [0,2,0,0,0,0|2,0,0]=4 9325 B17R0.38 CCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210328 [0,2,0,0,0,0|0,0,1]=3 9326 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)C 1458a_100000759886_100011215641 [0,2,0,0,0,0|1,0,1]=4 9327 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)N 1458a_100000759886_100102525003 [0,2,0,0,0,0|1,0,1]=4 9328 B17R0.38 CN(CCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813782 [0,2,0,0,0,0|1,0,0]=3 9329 B17R0.38 NC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100102525003 [0,2,0,0,0,0|1,0,1]=4 9330 B17R0.43 C#CCCCCCCCCCCOCCC(=O)C 7a_100000054667_100000053229 [0,2,0,0,0,0|1,0,1]=4 9331 B17R0.43 C#CCCCCCCCCCCOCCC(=O)N 34a_100000054667_100000731001 [0,2,0,0,0,0|1,0,1]=4 9332 B17R0.43 C#CCCCCCCCCCCOCCC(=O)N 7a_100000054667_100000744528 [0,2,0,0,0,0|1,0,1]=4 9333 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 34a_100000034437_100000685027 [0,2,0,0,0,0|1,0,1]=4 9334 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 7a_100000034437_100011215641 [0,2,0,0,0,0|1,0,1]=4 9335 B17R0.43 C#CCCCCCCCCCOCCCC(=O)N 34a_100000034437_100102525003 [0,2,0,0,0,0|1,0,1]=4 9336 B17R0.43 C#CCCCCCCCCCOCCCC(=O)N 7a_100000034437_100102525003 [0,2,0,0,0,0|1,0,1]=4 9337 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 34a_100000065265_100009817362 [0,2,0,0,0,0|1,0,1]=4 9338 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 7a_100000065265_100000735457 [0,2,0,0,0,0|1,0,1]=4 9339 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 34a_100000054614_100009817443 [0,2,0,0,0,0|1,0,1]=4 9340 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100153394163 [0,2,0,0,0,0|1,0,1]=4 9341 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 7a_100000054614_100009817443 [0,2,0,0,0,0|1,0,1]=4 9342 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100153394163 [0,2,0,0,0,0|1,0,1]=4 9343 B17R0.43 C#CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100153394163 [0,2,0,0,0,0|0,0,2]=4 9344 B17R0.43 C#CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100153394163 [0,2,0,0,0,0|1,0,1]=4 9345 B17R0.43 C#CCCCCCCCSCCCCCC(=O)N 62a_100153394163_100009817443 [0,2,0,0,0,0|1,0,1]=4 9346 B17R0.43 C#CCCNCCCCCCCCCCC(=O)N 34a_100000755551_200010167045 [0,2,0,0,0,0|1,0,1]=4 9347 B17R0.43 C#CCCOCCCCCCCCCCC(=O)N 34a_100011215631_200010167045 [0,2,0,0,0,0|1,0,1]=4 9348 B17R0.43 C#CCCSCCCCCCCCCCC(=O)N 62a_100000688953_200010167045 [0,2,0,0,0,0|1,0,1]=4 9349 B17R0.43 C#CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000688953 [0,2,0,0,0,0|1,0,1]=4 9350 B17R0.43 C/C=C/COCCCCCCCCCCC(=O)N 34a_100016270725_200010167045 [0,2,0,0,0,0|1,0,1]=4 9351 B17R0.43 C/C=C/CSCCCCCCCCCCC(=O)N 62a_100102629194_200010167045 [0,2,0,0,0,0|1,0,1]=4 9352 B17R0.43 C/C=C/CSCCCCCCCCCCC(=O)N 62a_200010167045_100102629194 [0,2,0,0,0,0|1,0,1]=4 9353 B17R0.43 C=C(Br)CCOCCCCCCCCCCCO 34a_100009813270_100009812471 [0,2,0,0,0,0|2,0,0]=4 9354 B17R0.43 C=C(C)CCOCCCCCCCCCCCO 34a_100000764851_100009812471 [0,2,0,0,0,0|2,0,0]=4 9355 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 34a_100009875440_100000730704 [0,2,0,0,0,0|2,0,0]=4 9356 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 7a_100009875440_100000730704 [0,2,0,0,0,0|2,0,0]=4 9357 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000748629 [0,2,0,0,0,0|2,0,0]=4 9358 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 34a_100000066677_100000748629 [0,2,0,0,0,0|2,0,0]=4 9359 B17R0.43 C=C(C)COCCCCCCCCCCCCN 34a_100000066677_100000748629 [0,2,0,0,0,0|2,0,0]=4 9360 B17R0.43 C=C(C)COCCCCCCCCCCCCO 34a_100000210245_100009813331 [0,2,0,0,0,0|2,0,0]=4 9361 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 2230a_100000066677_100009893438 [0,2,0,0,0,0|2,0,0]=4 9362 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 34a_100000066677_100009893438 [0,2,0,0,0,0|2,0,0]=4 9363 B17R0.43 C=C(F)COCCCCCCCCCCCCN 34a_100000066677_100009893438 [0,2,0,0,0,0|2,0,0]=4 9364 B17R0.43 C=C(F)COCCCCCCCCCCCCO 34a_200010262243_100009813331 [0,2,0,0,0,0|2,0,0]=4 9365 B17R0.43 C=CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_102130925996 [0,2,0,0,0,0|1,0,1]=4 9366 B17R0.43 C=CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_102130925996 [0,2,0,0,0,0|0,0,1]=3 9367 B17R0.43 C=CCCCCCCCCCCCOCC(=O)C 34a_100000211253_102130925996 [0,2,0,0,0,0|1,0,1]=4 9368 B17R0.43 C=CCCCCCCCCCCCSCC(=O)N 62a_100000747473_102130925996 [0,2,0,0,0,0|1,0,1]=4 9369 B17R0.43 C=CCCCCCCCCCCCSCC(=O)N 62a_102130925996_100000747473 [0,2,0,0,0,0|1,0,1]=4 9370 B17R0.43 C=CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_102130925996 [0,2,0,0,0,0|0,0,2]=4 9371 B17R0.43 C=CCCCCCCCCCCCSCC(=O)[O-] 62a_102130925996_100020667443 [0,2,0,0,0,0|0,0,2]=4 9372 B17R0.43 C=CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011093070 [0,2,0,0,0,0|0,0,2]=4 9373 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011093070 [0,2,0,0,0,0|1,0,1]=4 9374 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011093070 [0,2,0,0,0,0|1,0,1]=4 9375 B17R0.43 C=CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011093070 [0,2,0,0,0,0|1,0,1]=4 9376 B17R0.43 C=CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011093070 [0,2,0,0,0,0|1,0,1]=4 9377 B17R0.43 C=CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011093070 [0,2,0,0,0,0|1,0,1]=4 9378 B17R0.43 C=CCCCCCCCCCCSCCC(=O)N 62a_100011093070_100000744528 [0,2,0,0,0,0|1,0,1]=4 9379 B17R0.43 C=CCCCCCCCCCNCCCC(=O)C 34a_100000081888_100000685027 [0,2,0,0,0,0|1,0,1]=4 9380 B17R0.43 C=CCCCCCCCCCNCCCC(=O)N 34a_100000081888_100102525003 [0,2,0,0,0,0|1,0,1]=4 9381 B17R0.43 C=CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100009814027 [0,2,0,0,0,0|1,0,1]=4 9382 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000038209_100000685027 [0,2,0,0,0,0|1,0,1]=4 9383 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100009814027 [0,2,0,0,0,0|1,0,1]=4 9384 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000038209_100011215641 [0,2,0,0,0,0|1,0,1]=4 9385 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100009814027 [0,2,0,0,0,0|1,0,1]=4 9386 B17R0.43 C=CCCCCCCCCCOCCCC(=O)N 34a_100000038209_100102525003 [0,2,0,0,0,0|1,0,1]=4 9387 B17R0.43 C=CCCCCCCCCCOCCCC(=O)N 7a_100000038209_100102525003 [0,2,0,0,0,0|1,0,1]=4 9388 B17R0.43 C=CCCCCCCCCCSCCCC(=O)N 62a_100009814027_100102525003 [0,2,0,0,0,0|1,0,1]=4 9389 B17R0.43 C=CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100009814027 [0,2,0,0,0,0|1,0,1]=4 9390 B17R0.43 C=CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011933949 [0,2,0,0,0,0|1,0,1]=4 9391 B17R0.43 C=CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100011933949 [0,2,0,0,0,0|0,0,2]=4 9392 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 34a_100011215194_100009817362 [0,2,0,0,0,0|1,0,1]=4 9393 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 7a_100011215194_100000735457 [0,2,0,0,0,0|1,0,1]=4 9394 B17R0.43 C=CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011933949 [0,2,0,0,0,0|1,0,1]=4 9395 B17R0.43 C=CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100011933949 [0,2,0,0,0,0|1,0,1]=4 9396 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100012355270 [0,2,0,0,0,0|1,0,1]=4 9397 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 34a_100000730831_100009817443 [0,2,0,0,0,0|1,0,1]=4 9398 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100012355270 [0,2,0,0,0,0|1,0,1]=4 9399 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 7a_100000730831_100009817443 [0,2,0,0,0,0|1,0,1]=4 9400 B17R0.43 C=CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012355270 [0,2,0,0,0,0|0,0,2]=4 9401 B17R0.43 C=CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100012355270 [0,2,0,0,0,0|1,0,1]=4 9402 B17R0.43 C=CCCCCCCCSCCCCCC(=O)N 62a_100012355270_100009817443 [0,2,0,0,0,0|1,0,1]=4 9403 B17R0.43 C=CCCNCCCCCCCCCCC(=O)N 2230a_100015191253_200010167045 [0,2,0,0,0,0|1,0,1]=4 9404 B17R0.43 C=CCCOCCCCCCCCCCC(=O)N 34a_100011205117_200010167045 [0,2,0,0,0,0|1,0,1]=4 9405 B17R0.43 C=CCCSCCCCCCCCCCC(=O)N 62a_100000754431_200010167045 [0,2,0,0,0,0|1,0,1]=4 9406 B17R0.43 C=CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000754431 [0,2,0,0,0,0|1,0,1]=4 9407 B17R0.43 CC#CCNCCCCCCCCCCC(=O)N 2230a_100000685387_200010167045 [0,2,0,0,0,0|1,0,1]=4 9408 B17R0.43 CC#CCNCCCCCCCCCCC(=O)N 34a_100000685387_200010167045 [0,2,0,0,0,0|1,0,1]=4 9409 B17R0.43 CC#CCOCCCCCCCCCCC(=O)N 34a_100000761923_200010167045 [0,2,0,0,0,0|1,0,1]=4 9410 B17R0.43 CC#CCSCCCCCCCCCCC(=O)N 62a_100000748600_200010167045 [0,2,0,0,0,0|1,0,1]=4 9411 B17R0.43 CC#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000748600 [0,2,0,0,0,0|1,0,1]=4 9412 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [0,2,0,0,0,0|1,0,0]=3 9413 B17R0.43 CC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100009817362 [0,2,0,0,0,0|1,0,0]=3 9414 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100009817362 [0,2,0,0,0,0|1,0,0]=3 9415 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000735457 [0,2,0,0,0,0|1,0,0]=3 9416 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100009817362 [0,2,0,0,0,0|1,0,0]=3 9417 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000735457 [0,2,0,0,0,0|1,0,0]=3 9418 B17R0.43 CC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100009817362 [0,2,0,0,0,0|1,0,0]=3 9419 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100000735457_100009813782 [0,2,0,0,0,0|1,0,0]=3 9420 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000735457 [0,2,0,0,0,0|1,0,0]=3 9421 B17R0.43 CC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000685027 [0,2,0,0,0,0|1,0,0]=3 9422 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000685027 [0,2,0,0,0,0|1,0,0]=3 9423 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011215641 [0,2,0,0,0,0|1,0,0]=3 9424 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000685027 [0,2,0,0,0,0|1,0,0]=3 9425 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011215641 [0,2,0,0,0,0|1,0,0]=3 9426 B17R0.43 CC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000685027 [0,2,0,0,0,0|1,0,0]=3 9427 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 34a_100000759063_100009813290 [0,2,0,0,0,0|1,0,0]=3 9428 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 7a_100000759063_100009813290 [0,2,0,0,0,0|1,0,0]=3 9429 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011215641 [0,2,0,0,0,0|1,0,0]=3 9430 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100011215641_200000033068 [0,2,0,0,0,0|1,0,0]=3 9431 B17R0.43 CC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000053229 [0,2,0,0,0,0|1,0,0]=3 9432 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 34a_100000759926_100009812471 [0,2,0,0,0,0|1,0,0]=3 9433 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 7a_100000759926_100009812471 [0,2,0,0,0,0|1,0,0]=3 9434 B17R0.43 CC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000053229 [0,2,0,0,0,0|1,0,0]=3 9435 B17R0.43 CC(=O)COCCCCCCCCCCCCO 34a_100000211253_100009813331 [0,2,0,0,0,0|1,0,0]=3 9436 B17R0.43 CC(=O)COCCCCCCOCCCCCO 34a_100000211253_200132310570 [0,2,0,0,0,0|2,0,0]=4 9437 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 2230a_200011996284_100015922095 [0,2,0,0,0,0|2,0,0]=4 9438 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 34a_200011996284_100015922095 [0,2,0,0,0,0|2,0,0]=4 9439 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 2230a_200011996284_100000766143 [0,2,0,0,0,0|2,0,0]=4 9440 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 34a_200011996284_100000766143 [0,2,0,0,0,0|2,0,0]=4 9441 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 2230a_200012022750_100000760002 [0,2,0,0,0,0|2,0,0]=4 9442 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 34a_200012022750_100000760002 [0,2,0,0,0,0|2,0,0]=4 9443 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 2230a_200011368371_100000033203 [0,2,0,0,0,0|2,0,0]=4 9444 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 34a_200011368371_100000033203 [0,2,0,0,0,0|2,0,0]=4 9445 B17R0.43 CC(=O)NCCCNCCCCCCCCCO 34a_100000736810_100009813782 [0,2,0,0,0,0|2,0,0]=4 9446 B17R0.43 CC(=O)NCCCOCCCCCCCCCO 34a_100000752032_100009813782 [0,2,0,0,0,0|2,0,0]=4 9447 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_100000189650 [0,2,0,0,0,0|2,0,0]=4 9448 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000209853_100009813290 [0,2,0,0,0,0|2,0,0]=4 9449 B17R0.43 CC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_100000189650 [0,2,0,0,0,0|2,0,0]=4 9450 B17R0.43 CC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_100000189650 [0,2,0,0,0,0|2,0,0]=4 9451 B17R0.43 CC(=O)NCCOCCCCCCCCCCO 34a_100000158858_100009813290 [0,2,0,0,0,0|2,0,0]=4 9452 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100000189650_200000033068 [0,2,0,0,0,0|2,0,0]=4 9453 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100009813290_100000189650 [0,2,0,0,0,0|2,0,0]=4 9454 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 2230a_100011996573_100009813381 [0,2,0,0,0,0|2,0,0]=4 9455 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 34a_100011996573_100000033007 [0,2,0,0,0,0|2,0,0]=4 9456 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 34a_100000760002_100000033007 [0,2,0,0,0,0|2,0,0]=4 9457 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 7a_100000760002_100000033007 [0,2,0,0,0,0|2,0,0]=4 9458 B17R0.43 CC(=O)OCCCCCOCCCCCCCN 34a_100011996573_100000033007 [0,2,0,0,0,0|2,0,0]=4 9459 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000033007_100000760002 [0,2,0,0,0,0|2,0,0]=4 9460 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000760002_100000033007 [0,2,0,0,0,0|2,0,0]=4 9461 B17R0.43 CC(=O)OCCCCNCCCCCCCCO 34a_102515433106_100000033659 [0,2,0,0,0,0|2,0,0]=4 9462 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 34a_100009813846_100000033659 [0,2,0,0,0,0|2,0,0]=4 9463 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 7a_100009813846_100000033659 [0,2,0,0,0,0|2,0,0]=4 9464 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 34a_100000033203_100000033659 [0,2,0,0,0,0|2,0,0]=4 9465 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 7a_100000033203_100000033659 [0,2,0,0,0,0|2,0,0]=4 9466 B17R0.43 CC(=O)OCCCCOCCCCCCCCN 34a_102515433106_100000033659 [0,2,0,0,0,0|2,0,0]=4 9467 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 34a_100000073216_100000033203 [0,2,0,0,0,0|2,0,0]=4 9468 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 7a_100000073216_100000033203 [0,2,0,0,0,0|2,0,0]=4 9469 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033203_100000033659 [0,2,0,0,0,0|2,0,0]=4 9470 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033659_100000033203 [0,2,0,0,0,0|2,0,0]=4 9471 B17R0.43 CC(=O)OCCCNCCCCCCCCCO 34a_100000078944_100000042594 [0,2,0,0,0,0|2,0,0]=4 9472 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 34a_100009813782_100000042594 [0,2,0,0,0,0|2,0,0]=4 9473 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 7a_100009813782_100000042594 [0,2,0,0,0,0|2,0,0]=4 9474 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 34a_100009868337_100000042594 [0,2,0,0,0,0|2,0,0]=4 9475 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 7a_100009868337_100000042594 [0,2,0,0,0,0|2,0,0]=4 9476 B17R0.43 CC(=O)OCCCOCCCCCCCCCN 34a_100000078944_100000042594 [0,2,0,0,0,0|2,0,0]=4 9477 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100000042594_100009813782 [0,2,0,0,0,0|2,0,0]=4 9478 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100009813782_100000042594 [0,2,0,0,0,0|2,0,0]=4 9479 B17R0.43 CC(=O)OCCNCCCCCCCCCCO 34a_100000066964_100009814007 [0,2,0,0,0,0|2,0,0]=4 9480 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_100009814007 [0,2,0,0,0,0|2,0,0]=4 9481 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_100009814007 [0,2,0,0,0,0|2,0,0]=4 9482 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_100009814007 [0,2,0,0,0,0|2,0,0]=4 9483 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_100009814007 [0,2,0,0,0,0|2,0,0]=4 9484 B17R0.43 CC(=O)OCCOCCCCCCCCCCN 34a_100000066964_100009814007 [0,2,0,0,0,0|2,0,0]=4 9485 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009813290_100009814007 [0,2,0,0,0,0|2,0,0]=4 9486 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009814007_200000033068 [0,2,0,0,0,0|2,0,0]=4 9487 B17R0.43 CC(=O)OCOCCCCCCCCCCCBr 34a_100009812471_100009813279 [0,2,0,0,0,0|2,0,0]=4 9488 B17R0.43 CC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000076356 [0,2,0,0,0,0|2,0,0]=4 9489 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 2230a_102515433106_200010402107 [0,2,0,0,0,0|2,0,0]=4 9490 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 34a_102515433106_200010402107 [0,2,0,0,0,0|2,0,0]=4 9491 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 34a_100009813846_200010402107 [0,2,0,0,0,0|2,0,0]=4 9492 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 7a_100009813846_200010402107 [0,2,0,0,0,0|2,0,0]=4 9493 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 34a_100000033203_200010402107 [0,2,0,0,0,0|2,0,0]=4 9494 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 7a_100000033203_200010402107 [0,2,0,0,0,0|2,0,0]=4 9495 B17R0.43 CC(=O)SCCCCOCCCCCCCCN 34a_102515433106_200010402107 [0,2,0,0,0,0|2,0,0]=4 9496 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_100000033203_200010402107 [0,2,0,0,0,0|2,0,0]=4 9497 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_200010402107_100000033203 [0,2,0,0,0,0|2,0,0]=4 9498 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 2230a_100000078944_100000038929 [0,2,0,0,0,0|2,0,0]=4 9499 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 34a_100000078944_100000038929 [0,2,0,0,0,0|2,0,0]=4 9500 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 34a_100009813782_100000038929 [0,2,0,0,0,0|2,0,0]=4 9501 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 7a_100009813782_100000038929 [0,2,0,0,0,0|2,0,0]=4 9502 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 34a_100009868337_100000038929 [0,2,0,0,0,0|2,0,0]=4 9503 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 7a_100009868337_100000038929 [0,2,0,0,0,0|2,0,0]=4 9504 B17R0.43 CC(=O)SCCCOCCCCCCCCCN 34a_100000078944_100000038929 [0,2,0,0,0,0|2,0,0]=4 9505 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100000038929_100009813782 [0,2,0,0,0,0|2,0,0]=4 9506 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100009813782_100000038929 [0,2,0,0,0,0|2,0,0]=4 9507 B17R0.43 CC(O)CCCNCCCCCCCCCCO 2230a_100000066964_200000718107 [0,2,0,0,0,0|1,0,1]=4 9508 B17R0.43 CC(O)CCCNCCCCCCCCCCO 34a_100000066964_200000718107 [0,2,0,0,0,0|1,0,1]=4 9509 B17R0.43 CC(O)CCCOCCCCCCCCCCBr 34a_100009813290_200000718107 [0,2,0,0,0,0|1,0,1]=4 9510 B17R0.43 CC(O)CCCOCCCCCCCCCCBr 7a_100009813290_200000718107 [0,2,0,0,0,0|1,0,1]=4 9511 B17R0.43 CC(O)CCCOCCCCCCCCCCCl 34a_200000033068_200000718107 [0,2,0,0,0,0|1,0,1]=4 9512 B17R0.43 CC(O)CCCOCCCCCCCCCCCl 7a_200000033068_200000718107 [0,2,0,0,0,0|1,0,1]=4 9513 B17R0.43 CC(O)CCCOCCCCCCCCCCN 34a_100000066964_200000718107 [0,2,0,0,0,0|1,0,1]=4 9514 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_100009813290_200000718107 [0,2,0,0,0,0|1,0,1]=4 9515 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_200000718107_200000033068 [0,2,0,0,0,0|1,0,1]=4 9516 B17R0.43 CC(O)CCNCCCCCCCCCCCO 2230a_200000755665_100009812471 [0,2,0,0,0,0|1,0,1]=4 9517 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [0,2,0,0,0,0|1,0,1]=4 9518 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [0,2,0,0,0,0|1,0,1]=4 9519 B17R0.43 CC(O)CCSCCCCCCCCCCCO 62a_100009812471_100012276601 [0,2,0,0,0,0|1,0,1]=4 9520 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000066677_100011218427 [0,2,0,0,0,0|1,0,1]=4 9521 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000210904_100009813331 [0,2,0,0,0,0|1,0,1]=4 9522 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000066677_100011218427 [0,2,0,0,0,0|1,0,1]=4 9523 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000210904_100009813331 [0,2,0,0,0,0|1,0,1]=4 9524 B17R0.43 CC(O)COCCCCCCCCCCCCBr 34a_100009813331_100011218427 [0,2,0,0,0,0|1,0,1]=4 9525 B17R0.43 CC(O)COCCCCCCCCCCCCBr 7a_100009813331_100011218427 [0,2,0,0,0,0|1,0,1]=4 9526 B17R0.43 CC(O)COCCCCCCCCCCCCN 34a_100000066677_100011218427 [0,2,0,0,0,0|1,0,1]=4 9527 B17R0.43 CC(O)CSCCCCCCCCCCCCO 62a_100009813331_100011218427 [0,2,0,0,0,0|1,0,1]=4 9528 B17R0.43 CC/C=C\CCCCCCCNCCCC(=O)N 269862a_100000739312_200025770492 [0,2,0,0,0,0|1,0,1]=4 9529 B17R0.43 CC/C=C\CCCCCOCCCCCC(=O)N 34a_100016268722_100009817443 [0,2,0,0,0,0|1,0,1]=4 9530 B17R0.43 CC/C=C\CCCCCOCCCCCC(=O)N 7a_100016268722_100009817443 [0,2,0,0,0,0|1,0,1]=4 9531 B17R0.43 CC=CCSCCCCCCCCCCC(=O)N 62a_100000070051_200010167045 [0,2,0,0,0,0|1,0,1]=4 9532 B17R0.43 CC=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000070051 [0,2,0,0,0,0|1,0,1]=4 9533 B17R0.43 CCC#CCCCCCCCCOCCC(=O)C 7a_200000031908_100000053229 [0,2,0,0,0,0|1,0,1]=4 9534 B17R0.43 CCC#CCCCCCCCCOCCC(=O)N 34a_200000031908_100000731001 [0,2,0,0,0,0|1,0,1]=4 9535 B17R0.43 CCC#CCCCCCCCCOCCC(=O)N 7a_200000031908_100000744528 [0,2,0,0,0,0|1,0,1]=4 9536 B17R0.43 CCC#CCCCCCCNCCCCC(=O)N 34a_100000696515_200000036426 [0,2,0,0,0,0|1,0,1]=4 9537 B17R0.43 CCC#CCCCCCCNCCOCC(=O)O 269956a_100000700818_200000036426 [0,2,0,0,0,0|0,0,2]=4 9538 B17R0.43 CCC#CCCCCCCOCCCCC(=O)N 34a_100012022536_200000036426 [0,2,0,0,0,0|1,0,1]=4 9539 B17R0.43 CCC#CCCCCCCOCCCCC(=O)N 7a_100012022536_200000036426 [0,2,0,0,0,0|1,0,1]=4 9540 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_100000735457_200000036426 [0,2,0,0,0,0|1,0,1]=4 9541 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_200000036426_100000735457 [0,2,0,0,0,0|1,0,1]=4 9542 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 34a_200020645093_100009817362 [0,2,0,0,0,0|1,0,1]=4 9543 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 7a_200020645093_100000735457 [0,2,0,0,0,0|1,0,1]=4 9544 B17R0.43 CCCCC#CCCCCCCNOCC(=O)O 269956a_100000106656_200000043322 [0,2,0,0,0,0|0,0,2]=4 9545 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000043322 [0,2,0,0,0,0|1,0,1]=4 9546 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000043322 [0,2,0,0,0,0|1,0,1]=4 9547 B17R0.43 CCCCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000043322 [0,2,0,0,0,0|1,0,1]=4 9548 B17R0.43 CCCCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000043322 [0,2,0,0,0,0|1,0,1]=4 9549 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000043322 [0,2,0,0,0,0|1,0,1]=4 9550 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_200000043322_100000053229 [0,2,0,0,0,0|1,0,1]=4 9551 B17R0.43 CCCCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000043322 [0,2,0,0,0,0|1,0,1]=4 9552 B17R0.43 CCCCC#CCCCCCCSCCC(=O)N 62a_200000043322_100000744528 [0,2,0,0,0,0|1,0,1]=4 9553 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 34a_200000066234_100009817362 [0,2,0,0,0,0|1,0,1]=4 9554 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 7a_200000066234_100000735457 [0,2,0,0,0,0|1,0,1]=4 9555 B17R0.43 CCCCC#CCCCOCCCCCC(=O)N 34a_100000123541_200000047210 [0,2,0,0,0,0|1,0,1]=4 9556 B17R0.43 CCCCC#CCCCOCCCCCC(=O)N 7a_100000123541_200000047210 [0,2,0,0,0,0|1,0,1]=4 9557 B17R0.43 CCCCC#CCCCOCCCCCC(=O)[O-] 7a_100102619762_200000047210 [0,2,0,0,0,0|0,0,2]=4 9558 B17R0.43 CCCCC#CCCCSCCCCCC(=O)N 62a_100009817443_200000047210 [0,2,0,0,0,0|1,0,1]=4 9559 B17R0.43 CCCCC#CCCCSCCCCCC(=O)N 62a_200000047210_100009817443 [0,2,0,0,0,0|1,0,1]=4 9560 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 34a_100020655193_100009817362 [0,2,0,0,0,0|1,0,1]=4 9561 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 7a_100020655193_100000735457 [0,2,0,0,0,0|1,0,1]=4 9562 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 34a_100016277358_100009817443 [0,2,0,0,0,0|1,0,1]=4 9563 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 7a_100016277358_100009817443 [0,2,0,0,0,0|1,0,1]=4 9564 B17R0.43 CCCCCC#CCCOCCCCCC(=O)N 34a_200000042877_100009817443 [0,2,0,0,0,0|1,0,1]=4 9565 B17R0.43 CCCCCC#CCCOCCCCCC(=O)N 7a_200000042877_100009817443 [0,2,0,0,0,0|1,0,1]=4 9566 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 34a_200016276170_100009817443 [0,2,0,0,0,0|1,0,1]=4 9567 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 7a_200016276170_100009817443 [0,2,0,0,0,0|1,0,1]=4 9568 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 34a_200000033163_100009817362 [0,2,0,0,0,0|1,0,1]=4 9569 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 7a_200000033163_100000735457 [0,2,0,0,0,0|1,0,1]=4 9570 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 34a_200000037284_100009817443 [0,2,0,0,0,0|1,0,1]=4 9571 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 7a_200000037284_100009817443 [0,2,0,0,0,0|1,0,1]=4 9572 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 34a_200000061759_100009817362 [0,2,0,0,0,0|1,0,1]=4 9573 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 7a_200000061759_100000735457 [0,2,0,0,0,0|1,0,1]=4 9574 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 34a_200020667288_100000685027 [0,2,0,0,0,0|1,0,1]=4 9575 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 7a_200020667288_100011215641 [0,2,0,0,0,0|1,0,1]=4 9576 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 34a_200020667288_100102525003 [0,2,0,0,0,0|1,0,1]=4 9577 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 7a_200020667288_100102525003 [0,2,0,0,0,0|1,0,1]=4 9578 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,2,0,0,0,0|1,0,1]=4 9579 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 34a_100015232335_100000731001 [0,2,0,0,0,0|1,0,1]=4 9580 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 7a_100015232335_100000744528 [0,2,0,0,0,0|1,0,1]=4 9581 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 34a_200025761149_100000187820 [0,2,0,0,0,0|1,0,1]=4 9582 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 7a_200025761149_100000187820 [0,2,0,0,0,0|1,0,1]=4 9583 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)[O-] 34a_200025761149_100020667443 [0,2,0,0,0,0|0,0,2]=4 9584 B17R0.43 CCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_200011215488 [0,2,0,0,0,0|1,0,1]=4 9585 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,2,0,0,0,0|1,0,0]=3 9586 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,2,0,0,0,0|1,0,0]=3 9587 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,2,0,0,0,0|1,0,0]=3 9588 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,2,0,0,0,0|1,0,0]=3 9589 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [0,2,0,0,0,0|1,0,0]=3 9590 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [0,2,0,0,0,0|1,0,0]=3 9591 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [0,2,0,0,0,0|1,0,0]=3 9592 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,2,0,0,0,0|0,0,0]=2 9593 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [0,2,0,0,0,0|0,0,1]=3 9594 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [0,2,0,0,0,0|1,0,1]=4 9595 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [0,2,0,0,0,0|1,0,1]=4 9596 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [0,2,0,0,0,0|1,0,1]=4 9597 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [0,2,0,0,0,0|1,0,1]=4 9598 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [0,2,0,0,0,0|1,0,1]=4 9599 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [0,2,0,0,0,0|1,0,1]=4 9600 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [0,2,0,0,0,0|1,0,1]=4 9601 B17R0.43 CCCCCCCCCCCCCNC[N+](=O)[O-] 34a_100011215765_100000761209 [0,2,0,0,0,0|1,0,1]=4 9602 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [0,2,0,0,0,0|1,0,0]=3 9603 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [0,2,0,0,0,0|1,0,0]=3 9604 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [0,2,0,0,0,0|1,0,0]=3 9605 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [0,2,0,0,0,0|0,0,1]=3 9606 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [0,2,0,0,0,0|1,0,1]=4 9607 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [0,2,0,0,0,0|1,0,1]=4 9608 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [0,2,0,0,0,0|1,0,1]=4 9609 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [0,2,0,0,0,0|1,0,1]=4 9610 B17R0.43 CCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000185773_100000761209 [0,2,0,0,0,0|1,0,1]=4 9611 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [0,2,0,0,0,0|1,0,0]=3 9612 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [0,2,0,0,0,0|0,0,1]=3 9613 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [0,2,0,0,0,0|1,0,0]=3 9614 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [0,2,0,0,0,0|1,0,0]=3 9615 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [0,2,0,0,0,0|1,0,1]=4 9616 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [0,2,0,0,0,0|1,0,1]=4 9617 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [0,2,0,0,0,0|1,0,1]=4 9618 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [0,2,0,0,0,0|1,0,1]=4 9619 B17R0.43 CCCCCCCCCCCCNCOC(=O)C 34a_100000210451_100009813279 [0,2,0,0,0,0|1,0,0]=3 9620 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,2,0,0,0,0|0,0,0]=2 9621 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [0,2,0,0,0,0|1,0,0]=3 9622 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [0,2,0,0,0,0|1,0,0]=3 9623 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [0,2,0,0,0,0|1,0,0]=3 9624 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [0,2,0,0,0,0|1,0,0]=3 9625 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [0,2,0,0,0,0|1,0,0]=3 9626 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [0,2,0,0,0,0|1,0,0]=3 9627 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [0,2,0,0,0,0|1,0,0]=3 9628 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [0,2,0,0,0,0|1,0,1]=4 9629 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [0,2,0,0,0,0|1,0,1]=4 9630 B17R0.43 CCCCCCCCCCCCOCOC(=O)C 34a_100000210810_100009813279 [0,2,0,0,0,0|1,0,0]=3 9631 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [0,2,0,0,0,0|1,0,0]=3 9632 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [0,2,0,0,0,0|1,0,0]=3 9633 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [0,2,0,0,0,0|1,0,0]=3 9634 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [0,2,0,0,0,0|1,0,0]=3 9635 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [0,2,0,0,0,0|1,0,1]=4 9636 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [0,2,0,0,0,0|1,0,1]=4 9637 B17R0.43 CCCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011215454 [0,2,0,0,0,0|2,0,0]=4 9638 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215454 [0,2,0,0,0,0|1,0,0]=3 9639 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_200011215754_100000189650 [0,2,0,0,0,0|1,0,0]=3 9640 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 2230a_200011215754_200000034859 [0,2,0,0,0,0|1,0,0]=3 9641 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100011215454 [0,2,0,0,0,0|1,0,0]=3 9642 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [0,2,0,0,0,0|1,0,0]=3 9643 B17R0.43 CCCCCCCCCCCNCCOC(=O)N 34a_200011215754_200011214921 [0,2,0,0,0,0|1,0,0]=3 9644 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [0,2,0,0,0,0|1,0,0]=3 9645 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [0,2,0,0,0,0|1,0,0]=3 9646 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [0,2,0,0,0,0|1,0,0]=3 9647 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [0,2,0,0,0,0|1,0,0]=3 9648 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [0,2,0,0,0,0|1,0,0]=3 9649 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [0,2,0,0,0,0|1,0,0]=3 9650 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [0,2,0,0,0,0|1,0,1]=4 9651 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [0,2,0,0,0,0|1,0,1]=4 9652 B17R0.43 CCCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215454 [0,2,0,0,0,0|1,0,1]=4 9653 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100011215454 [0,2,0,0,0,0|1,0,0]=3 9654 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 7a_100000210809_100000189650 [0,2,0,0,0,0|1,0,0]=3 9655 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100011215454 [0,2,0,0,0,0|1,0,0]=3 9656 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 7a_100000210809_200000034859 [0,2,0,0,0,0|1,0,0]=3 9657 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [0,2,0,0,0,0|1,0,0]=3 9658 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [0,2,0,0,0,0|1,0,0]=3 9659 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 34a_100000210809_200011214921 [0,2,0,0,0,0|1,0,0]=3 9660 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000210809_200011214921 [0,2,0,0,0,0|1,0,0]=3 9661 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100011215454 [0,2,0,0,0,0|1,0,0]=3 9662 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [0,2,0,0,0,0|1,0,0]=3 9663 B17R0.43 CCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100011215454 [0,2,0,0,0,0|1,0,0]=3 9664 B17R0.43 CCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100011215454 [0,2,0,0,0,0|1,0,0]=3 9665 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [0,2,0,0,0,0|1,0,0]=3 9666 B17R0.43 CCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100011215454 [0,2,0,0,0,0|1,0,0]=3 9667 B17R0.43 CCCCCCCCCCNCCCCB(O)O 2230a_100000684558_200009817182 [0,2,0,0,0,0|1,0,1]=4 9668 B17R0.43 CCCCCCCCCCNCCCCB(O)O 34a_100000684558_200009817182 [0,2,0,0,0,0|1,0,1]=4 9669 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [0,2,0,0,0,0|1,0,0]=3 9670 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [0,2,0,0,0,0|1,0,0]=3 9671 B17R0.43 CCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210320 [0,2,0,0,0,0|1,0,0]=3 9672 B17R0.43 CCCCCCCCCCNCCCOC(=O)C 34a_100000684558_100000042594 [0,2,0,0,0,0|1,0,0]=3 9673 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 2230a_100000684558_200135323944 [0,2,0,0,0,0|1,1,0]=4 9674 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 34a_100000684558_200135323944 [0,2,0,0,0,0|1,1,0]=4 9675 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 2230a_100000684558_100000038929 [0,2,0,0,0,0|1,0,0]=3 9676 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 34a_100000684558_100000038929 [0,2,0,0,0,0|1,0,0]=3 9677 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 2230a_100000684558_100000076697 [0,2,0,0,0,0|1,0,0]=3 9678 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 34a_100000684558_100000076697 [0,2,0,0,0,0|1,0,0]=3 9679 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,2,0,0,0,0|0,0,0]=2 9680 B17R0.43 CCCCCCCCCCOCCCCB(O)O 34a_100000210711_200009817182 [0,2,0,0,0,0|1,0,1]=4 9681 B17R0.43 CCCCCCCCCCOCCCCB(O)O 7a_100000210711_200009817182 [0,2,0,0,0,0|1,0,1]=4 9682 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [0,2,0,0,0,0|1,0,0]=3 9683 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [0,2,0,0,0,0|1,0,0]=3 9684 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [0,2,0,0,0,0|1,0,0]=3 9685 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [0,2,0,0,0,0|1,0,0]=3 9686 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210320 [0,2,0,0,0,0|1,0,1]=4 9687 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210320 [0,2,0,0,0,0|1,0,1]=4 9688 B17R0.43 CCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210320 [0,2,0,0,0,0|1,0,0]=3 9689 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 34a_100000210711_100000042594 [0,2,0,0,0,0|1,0,0]=3 9690 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 7a_100000210711_100000042594 [0,2,0,0,0,0|1,0,0]=3 9691 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 34a_100000210711_200135323944 [0,2,0,0,0,0|1,1,0]=4 9692 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 7a_100000210711_200135323944 [0,2,0,0,0,0|1,1,0]=4 9693 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 34a_100000210711_100000038929 [0,2,0,0,0,0|1,0,0]=3 9694 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 7a_100000210711_100000038929 [0,2,0,0,0,0|1,0,0]=3 9695 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 34a_100000210711_100000076697 [0,2,0,0,0,0|1,0,0]=3 9696 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 7a_100000210711_100000076697 [0,2,0,0,0,0|1,0,0]=3 9697 B17R0.43 CCCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210320 [0,2,0,0,0,0|1,0,1]=4 9698 B17R0.43 CCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210320 [0,2,0,0,0,0|1,0,0]=3 9699 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 34a_100011628728_100000187820 [0,2,0,0,0,0|1,0,0]=3 9700 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210320 [0,2,0,0,0,0|1,0,0]=3 9701 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 7a_100011628728_100000187820 [0,2,0,0,0,0|1,0,0]=3 9702 B17R0.43 CCCCCCCCCCSCCOCC(=O)[O-] 34a_100011628728_100020667443 [0,2,0,0,0,0|0,0,1]=3 9703 B17R0.43 CCCCCCCCCCSCCOCC(C)O 34a_100011628728_100011218427 [0,2,0,0,0,0|1,0,1]=4 9704 B17R0.43 CCCCCCCCCCSCCOCC(C)O 7a_100011628728_100011218427 [0,2,0,0,0,0|1,0,1]=4 9705 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 34a_100011628728_100009817552 [0,2,0,0,0,0|1,0,1]=4 9706 B17R0.43 CCCCCCCCCCSCCOC[C@@H](C)O 7a_100011628728_100009817552 [0,2,0,0,0,0|1,0,1]=4 9707 B17R0.43 CCCCCCCCCCSCCOC[N+](=O)[O-] 34a_100011628728_100000761209 [0,2,0,0,0,0|1,0,1]=4 9708 B17R0.43 CCCCCCCCCNCCCCCB(O)O 2230a_100000212291_200009817188 [0,2,0,0,0,0|1,0,1]=4 9709 B17R0.43 CCCCCCCCCNCCCCCB(O)O 34a_100000212291_200009817188 [0,2,0,0,0,0|1,0,1]=4 9710 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [0,2,0,0,0,0|1,0,0]=3 9711 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [0,2,0,0,0,0|1,0,0]=3 9712 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011214924 [0,2,0,0,0,0|1,0,0]=3 9713 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100011214924 [0,2,0,0,0,0|1,0,0]=3 9714 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [0,2,0,0,0,0|1,0,0]=3 9715 B17R0.43 CCCCCCCCCNCCCCO[N+](=O)[O-] 34a_100000212291_100015694321 [0,2,0,0,0,0|1,0,1]=4 9716 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 2230a_100000212291_200010402107 [0,2,0,0,0,0|1,0,0]=3 9717 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 34a_100000212291_200010402107 [0,2,0,0,0,0|1,0,0]=3 9718 B17R0.43 CCCCCCCCCNCOCCOC(=O)C 34a_100000212291_100000076355 [0,2,0,0,0,0|2,0,0]=4 9719 B17R0.43 CCCCCCCCCOCCCCCB(O)O 34a_100000210712_200009817188 [0,2,0,0,0,0|1,0,1]=4 9720 B17R0.43 CCCCCCCCCOCCCCCB(O)O 7a_100000210712_200009817188 [0,2,0,0,0,0|1,0,1]=4 9721 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [0,2,0,0,0,0|1,0,0]=3 9722 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [0,2,0,0,0,0|1,0,0]=3 9723 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [0,2,0,0,0,0|1,0,0]=3 9724 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [0,2,0,0,0,0|1,0,0]=3 9725 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [0,2,0,0,0,0|0,0,1]=3 9726 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [0,2,0,0,0,0|1,0,0]=3 9727 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [0,2,0,0,0,0|1,0,0]=3 9728 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [0,2,0,0,0,0|1,0,0]=3 9729 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [0,2,0,0,0,0|1,0,0]=3 9730 B17R0.43 CCCCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210712_100015694321 [0,2,0,0,0,0|1,0,1]=4 9731 B17R0.43 CCCCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210712_100015694321 [0,2,0,0,0,0|1,0,1]=4 9732 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 34a_100000210712_200010402107 [0,2,0,0,0,0|1,0,0]=3 9733 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 7a_100000210712_200010402107 [0,2,0,0,0,0|1,0,0]=3 9734 B17R0.43 CCCCCCCCCOCOCCOC(=O)C 34a_100000210712_100000076355 [0,2,0,0,0,0|2,0,0]=4 9735 B17R0.43 CCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210670 [0,2,0,0,0,0|1,0,1]=4 9736 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [0,2,0,0,0,0|1,0,0]=3 9737 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [0,2,0,0,0,0|1,0,0]=3 9738 B17R0.43 CCCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210670 [0,2,0,0,0,0|2,0,0]=4 9739 B17R0.43 CCCCCCCCNCCCCCCB(O)O 2230a_100000229939_100009817187 [0,2,0,0,0,0|1,0,1]=4 9740 B17R0.43 CCCCCCCCNCCCCCCB(O)O 34a_100000229939_100009817187 [0,2,0,0,0,0|1,0,1]=4 9741 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210759 [0,2,0,0,0,0|1,0,0]=3 9742 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210759 [0,2,0,0,0,0|1,0,0]=3 9743 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [0,2,0,0,0,0|1,0,0]=3 9744 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [0,2,0,0,0,0|1,0,0]=3 9745 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 2230a_100000229939_200000083610 [0,2,0,0,0,0|2,0,0]=4 9746 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 34a_100000229939_200000083610 [0,2,0,0,0,0|2,0,0]=4 9747 B17R0.43 CCCCCCCCOCCCCCCB(O)O 34a_100000210232_100009817187 [0,2,0,0,0,0|1,0,1]=4 9748 B17R0.43 CCCCCCCCOCCCCCCB(O)O 7a_100000210232_100009817187 [0,2,0,0,0,0|1,0,1]=4 9749 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [0,2,0,0,0,0|1,0,0]=3 9750 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [0,2,0,0,0,0|1,0,0]=3 9751 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 34a_100000210232_200000083610 [0,2,0,0,0,0|2,0,0]=4 9752 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 7a_100000210232_200000083610 [0,2,0,0,0,0|2,0,0]=4 9753 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100000210759_100009817187 [0,2,0,0,0,0|1,0,1]=4 9754 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210317 [0,2,0,0,0,0|1,0,1]=4 9755 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [0,2,0,0,0,0|1,0,0]=3 9756 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [0,2,0,0,0,0|1,0,0]=3 9757 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_100000210759_200000083610 [0,2,0,0,0,0|2,0,0]=4 9758 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210317 [0,2,0,0,0,0|2,0,0]=4 9759 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [0,2,0,0,0,0|1,0,0]=3 9760 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [0,2,0,0,0,0|1,0,0]=3 9761 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [0,2,0,0,0,0|1,0,0]=3 9762 B17R0.43 CCCCCCOCCOCCCCCB(O)O 34a_100000691444_200009817188 [0,2,0,0,0,0|1,0,1]=4 9763 B17R0.43 CCCCCCOCCOCCCCCB(O)O 7a_100000691444_200009817188 [0,2,0,0,0,0|1,0,1]=4 9764 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [0,2,0,0,0,0|1,0,0]=3 9765 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [0,2,0,0,0,0|1,0,0]=3 9766 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 34a_100000691444_100000033659 [0,2,0,0,0,0|2,0,0]=4 9767 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 7a_100000691444_100000033659 [0,2,0,0,0,0|2,0,0]=4 9768 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 34a_100000691444_200010402107 [0,2,0,0,0,0|2,0,0]=4 9769 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 7a_100000691444_200010402107 [0,2,0,0,0,0|2,0,0]=4 9770 B17R0.43 CCCCCCOCCOCCOCCC(=O)C 7a_100000032842_100000053229 [0,2,0,0,0,0|2,0,0]=4 9771 B17R0.43 CCCCCCOCCOCCOCCC(=O)N 34a_100000032842_100000731001 [0,2,0,0,0,0|2,0,0]=4 9772 B17R0.43 CCCCCCOCCOCCOCCC(=O)N 7a_100000032842_100000744528 [0,2,0,0,0,0|2,0,0]=4 9773 B17R0.43 CCCCCNCCOCCCCCCB(O)O 34a_100000224656_100009817187 [0,2,0,0,0,0|1,0,1]=4 9774 B17R0.43 CCCCCNCCOCCCCCOC(=O)C 34a_100000224656_100000033007 [0,2,0,0,0,0|2,0,0]=4 9775 B17R0.43 CCCCCOCCOCCCCCCB(O)O 34a_100011215259_100009817187 [0,2,0,0,0,0|1,0,1]=4 9776 B17R0.43 CCCCCOCCOCCCCCCB(O)O 7a_100011215259_100009817187 [0,2,0,0,0,0|1,0,1]=4 9777 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 34a_100011215259_100000033007 [0,2,0,0,0,0|2,0,0]=4 9778 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 7a_100011215259_100000033007 [0,2,0,0,0,0|2,0,0]=4 9779 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [0,2,0,0,0,0|1,0,0]=3 9780 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [0,2,0,0,0,0|1,0,0]=3 9781 B17R0.43 CCCCNCCCCOCCCCCB(O)O 34a_200011216965_200009817188 [0,2,0,0,0,0|1,0,1]=4 9782 B17R0.43 CCCCNCCCCOCCCCCC(=O)N 34a_200011216965_100009817443 [0,2,0,0,0,0|1,0,0]=3 9783 B17R0.43 CCCCNCCCCOCCCCOC(=O)C 34a_200011216965_100000033659 [0,2,0,0,0,0|2,0,0]=4 9784 B17R0.43 CCCCNCCCCOCCCCSC(=O)C 34a_200011216965_200010402107 [0,2,0,0,0,0|2,0,0]=4 9785 B17R0.43 CCCCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210211 [0,2,0,0,0,0|2,0,0]=4 9786 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [0,2,0,0,0,0|1,0,0]=3 9787 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [0,2,0,0,0,0|1,0,0]=3 9788 B17R0.43 CCCCOCCCCOCCCCCB(O)O 34a_200000760531_200009817188 [0,2,0,0,0,0|1,0,1]=4 9789 B17R0.43 CCCCOCCCCOCCCCCB(O)O 7a_200000760531_200009817188 [0,2,0,0,0,0|1,0,1]=4 9790 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 34a_200000760531_100009817443 [0,2,0,0,0,0|1,0,0]=3 9791 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 7a_200000760531_100009817443 [0,2,0,0,0,0|1,0,0]=3 9792 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 34a_200000760531_100000033659 [0,2,0,0,0,0|2,0,0]=4 9793 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 7a_200000760531_100000033659 [0,2,0,0,0,0|2,0,0]=4 9794 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 34a_200000760531_200010402107 [0,2,0,0,0,0|2,0,0]=4 9795 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 7a_200000760531_200010402107 [0,2,0,0,0,0|2,0,0]=4 9796 B17R0.43 CCCCOCCCNCCCCCCB(O)O 2230a_200000211371_100009817187 [0,2,0,0,0,0|1,0,1]=4 9797 B17R0.43 CCCCOCCCNCCCCCCB(O)O 34a_200000211371_100009817187 [0,2,0,0,0,0|1,0,1]=4 9798 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 2230a_200000211371_100009813381 [0,2,0,0,0,0|2,0,0]=4 9799 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 34a_200000211371_100000033007 [0,2,0,0,0,0|2,0,0]=4 9800 B17R0.43 CCCCOCCCOCCCCCCB(O)O 34a_200011215613_100009817187 [0,2,0,0,0,0|1,0,1]=4 9801 B17R0.43 CCCCOCCCOCCCCCCB(O)O 7a_200011215613_100009817187 [0,2,0,0,0,0|1,0,1]=4 9802 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 34a_200011215613_100000033007 [0,2,0,0,0,0|2,0,0]=4 9803 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 7a_200011215613_100000033007 [0,2,0,0,0,0|2,0,0]=4 9804 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100000743108 [0,2,0,0,0,0|2,0,0]=4 9805 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 34a_200011996284_100000743108 [0,2,0,0,0,0|2,0,0]=4 9806 B17R0.43 CCCCOCCNCCOCCOCC(=O)O 269956a_100009854275_100000743108 [0,2,0,0,0,0|2,0,0]=4 9807 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 34a_100011215186_100009817362 [0,2,0,0,0,0|2,0,0]=4 9808 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 7a_100011215186_100000735457 [0,2,0,0,0,0|2,0,0]=4 9809 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [0,2,0,0,0,0|1,0,0]=3 9810 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [0,2,0,0,0,0|1,0,0]=3 9811 B17R0.43 CCCOCCOCCNCCCCCC(=O)N 2230a_200011904461_100009817443 [0,2,0,0,0,0|2,0,0]=4 9812 B17R0.43 CCCOCCOCCNCCCCCC(=O)N 34a_200011904461_100009817443 [0,2,0,0,0,0|2,0,0]=4 9813 B17R0.43 CCNCCCCCCCCCCCSC(=O)C 2230a_100015525214_100010140907 [0,2,0,0,0,0|1,0,0]=3 9814 B17R0.43 CCOCCCCCCCCCCCSC(=O)C 34a_100121572206_100010140907 [0,2,0,0,0,0|1,0,0]=3 9815 B17R0.43 CCOCCCCCCCCCOCCC(=O)C 7a_100009875440_100000053229 [0,2,0,0,0,0|1,0,0]=3 9816 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 34a_100009875440_100000731001 [0,2,0,0,0,0|1,0,0]=3 9817 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 7a_100009875440_100000744528 [0,2,0,0,0,0|1,0,0]=3 9818 B17R0.43 CCOCCCCCCCCCOCCC(C)O 34a_100009875440_100012276601 [0,2,0,0,0,0|1,0,1]=4 9819 B17R0.43 CCOCCCCCCCCCOCCC(C)O 7a_100009875440_100012276601 [0,2,0,0,0,0|1,0,1]=4 9820 B17R0.43 CCOCCCCCCCCCOCOC(=O)C 34a_100009875440_100009813279 [0,2,0,0,0,0|2,0,0]=4 9821 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_100000739092_200010167045 [0,2,0,0,0,0|1,0,0]=3 9822 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_200010167045_100000739092 [0,2,0,0,0,0|1,0,0]=3 9823 B17R0.43 COCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011998445 [0,2,0,0,0,0|2,0,0]=4 9824 B17R0.43 COCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011998445 [0,2,0,0,0,0|2,0,0]=4 9825 B17R0.43 COCCCCCCOCCCCCCB(O)O 34a_200012092642_100009817187 [0,2,0,0,0,0|1,0,1]=4 9826 B17R0.43 COCCCCCCOCCCCCCB(O)O 7a_200012092642_100009817187 [0,2,0,0,0,0|1,0,1]=4 9827 B17R0.43 COCCCCCCOCCCCCOC(=O)C 34a_200012092642_100000033007 [0,2,0,0,0,0|2,0,0]=4 9828 B17R0.43 COCCCCCCOCCCCCOC(=O)C 7a_200012092642_100000033007 [0,2,0,0,0,0|2,0,0]=4 9829 B17R0.43 COCCCCCCSCCCCCCB(O)O 62a_100009817187_100011998445 [0,2,0,0,0,0|1,0,1]=4 9830 B17R0.43 COCCCCCCSCCCCCCB(O)O 62a_100011998445_100009817187 [0,2,0,0,0,0|1,0,1]=4 9831 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100000033007_100011998445 [0,2,0,0,0,0|2,0,0]=4 9832 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100011998445_100000033007 [0,2,0,0,0,0|2,0,0]=4 9833 B17R0.43 COCCCOCCCOCCCCCC(=O)N 34a_200011215475_100009817443 [0,2,0,0,0,0|2,0,0]=4 9834 B17R0.43 COCCCOCCCOCCCCCC(=O)N 7a_200011215475_100009817443 [0,2,0,0,0,0|2,0,0]=4 9835 B17R0.43 COCCNCCCCCCCCCCC(=O)N 2230a_100000209980_200010167045 [0,2,0,0,0,0|1,0,0]=3 9836 B17R0.43 COCCOCCCCCCCCCCC(=O)N 34a_100000210237_200010167045 [0,2,0,0,0,0|1,0,0]=3 9837 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_100000233755_200010167045 [0,2,0,0,0,0|1,0,0]=3 9838 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000233755 [0,2,0,0,0,0|1,0,0]=3 9839 B17R0.43 CS(=O)CCCNCCCCCCCCCCO 2230a_200000753449_100009813290 [0,2,0,0,0,0|2,0,0]=4 9840 B17R0.43 CSCCNCCCCCCCCCCC(=O)N 2230a_100020590264_200010167045 [0,2,0,0,0,0|1,0,0]=3 9841 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 34a_100000230434_200010167045 [0,2,0,0,0,0|1,0,0]=3 9842 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 7a_100000230434_200010167045 [0,2,0,0,0,0|1,0,0]=3 9843 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_100000212216_200010167045 [0,2,0,0,0,0|1,0,0]=3 9844 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000751147 [0,2,0,0,0,0|1,0,0]=3 9845 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 2230a_100000066677_100009817552 [0,2,0,0,0,0|1,0,1]=4 9846 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 34a_100000066677_100009817552 [0,2,0,0,0,0|1,0,1]=4 9847 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 34a_100009813331_100009817552 [0,2,0,0,0,0|1,0,1]=4 9848 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 7a_100009813331_100009817552 [0,2,0,0,0,0|1,0,1]=4 9849 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCN 34a_100000066677_100009817552 [0,2,0,0,0,0|1,0,1]=4 9850 B17R0.43 C[C@@H](O)CSCCCCCCCCCCCCO 62a_100009813331_100009817552 [0,2,0,0,0,0|1,0,1]=4 9851 B17R0.43 N#CCCSCCCCCCCCCCC(=O)N 62a_100011215226_200010167045 [0,2,0,0,0,0|1,0,1]=4 9852 B17R0.43 N#CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215226 [0,2,0,0,0,0|1,0,1]=4 9853 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_200010167045 [0,2,0,0,0,0|1,0,0]=3 9854 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 34a_100015189416_200010167045 [0,2,0,0,0,0|1,0,0]=3 9855 B17R0.43 NC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_200010167045 [0,2,0,0,0,0|1,0,0]=3 9856 B17R0.43 NC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_200010167045 [0,2,0,0,0,0|1,0,0]=3 9857 B17R0.43 NC(=O)CCCCCCCCCCOCCCF 34a_100000759539_200010167045 [0,2,0,0,0,0|1,0,0]=3 9858 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_100011934791_200010167045 [0,2,0,0,0,0|1,0,0]=3 9859 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_200010167045_100011934791 [0,2,0,0,0,0|1,0,0]=3 9860 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_100011215043_200010167045 [0,2,0,0,0,0|1,0,0]=3 9861 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_200010167045_100011215043 [0,2,0,0,0,0|1,0,0]=3 9862 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009817443 [0,2,0,0,0,0|1,0,0]=3 9863 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009817443 [0,2,0,0,0,0|1,0,0]=3 9864 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009817443 [0,2,0,0,0,0|1,0,0]=3 9865 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009817443 [0,2,0,0,0,0|1,0,0]=3 9866 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009817443 [0,2,0,0,0,0|1,0,0]=3 9867 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009817443 [0,2,0,0,0,0|1,0,0]=3 9868 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 34a_100000123541_100000033203 [0,2,0,0,0,0|1,0,0]=3 9869 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 7a_100000123541_100000033203 [0,2,0,0,0,0|1,0,0]=3 9870 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009817443 [0,2,0,0,0,0|1,0,0]=3 9871 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100009817443_100000033203 [0,2,0,0,0,0|1,0,0]=3 9872 B17R0.43 NC(=O)CCCCNCCCCCCCCCO 34a_100000696515_100009813782 [0,2,0,0,0,0|1,0,0]=3 9873 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 34a_100012022536_100009813782 [0,2,0,0,0,0|1,0,0]=3 9874 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 7a_100012022536_100009813782 [0,2,0,0,0,0|1,0,0]=3 9875 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100102525003 [0,2,0,0,0,0|1,0,0]=3 9876 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000739312_100009813290 [0,2,0,0,0,0|1,0,0]=3 9877 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100102525003 [0,2,0,0,0,0|1,0,0]=3 9878 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100102525003 [0,2,0,0,0,0|1,0,0]=3 9879 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100102525003 [0,2,0,0,0,0|1,0,0]=3 9880 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100102525003 [0,2,0,0,0,0|1,0,0]=3 9881 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100102525003 [0,2,0,0,0,0|1,0,0]=3 9882 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100102525003_200000033068 [0,2,0,0,0,0|1,0,0]=3 9883 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000731001 [0,2,0,0,0,0|1,0,0]=3 9884 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000744528 [0,2,0,0,0,0|1,0,0]=3 9885 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 34a_100000757172_100009812471 [0,2,0,0,0,0|1,0,0]=3 9886 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 7a_100000757172_100009812471 [0,2,0,0,0,0|1,0,0]=3 9887 B17R0.43 NC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000744528 [0,2,0,0,0,0|1,0,0]=3 9888 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747473 [0,2,0,0,0,0|1,0,0]=3 9889 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000711301_100009813331 [0,2,0,0,0,0|1,0,0]=3 9890 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000187820 [0,2,0,0,0,0|1,0,0]=3 9891 B17R0.43 NC(=O)CNCCCCCCOCCCCCO 2230a_100000711301_200132310570 [0,2,0,0,0,0|2,0,0]=4 9892 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000187820 [0,2,0,0,0,0|1,0,0]=3 9893 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000187820 [0,2,0,0,0,0|1,0,0]=3 9894 B17R0.43 NC(=O)COCCCCCOCCCCCCCl 34a_200132310570_100000187820 [0,2,0,0,0,0|2,0,0]=4 9895 B17R0.43 NC(=O)COCCCCCOCCCCCCCl 7a_200132310570_100000187820 [0,2,0,0,0,0|2,0,0]=4 9896 B17R0.43 NC(=O)COCCNCCCCCCCCCO 2230a_100000078944_100000076697 [0,2,0,0,0,0|2,0,0]=4 9897 B17R0.43 NC(=O)COCCNCCCCCCCCCO 34a_100000078944_100000076697 [0,2,0,0,0,0|2,0,0]=4 9898 B17R0.43 NC(=O)COCCOCCCCCCCCCBr 34a_100009813782_100000076697 [0,2,0,0,0,0|2,0,0]=4 9899 B17R0.43 NC(=O)COCCOCCCCCCCCCBr 7a_100009813782_100000076697 [0,2,0,0,0,0|2,0,0]=4 9900 B17R0.43 NC(=O)COCCOCCCCCCCCCCl 34a_100009868337_100000076697 [0,2,0,0,0,0|2,0,0]=4 9901 B17R0.43 NC(=O)COCCOCCCCCCCCCCl 7a_100009868337_100000076697 [0,2,0,0,0,0|2,0,0]=4 9902 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100000076697_100009813782 [0,2,0,0,0,0|2,0,0]=4 9903 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100009813782_100000076697 [0,2,0,0,0,0|2,0,0]=4 9904 B17R0.43 NC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747473 [0,2,0,0,0,0|1,0,0]=3 9905 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_100000747473_200132310570 [0,2,0,0,0,0|2,0,0]=4 9906 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_200132310570_100000747473 [0,2,0,0,0,0|2,0,0]=4 9907 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_200000034859 [0,2,0,0,0,0|2,0,0]=4 9908 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 34a_100020590234_100009813290 [0,2,0,0,0,0|2,0,0]=4 9909 B17R0.43 NC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_200000034859 [0,2,0,0,0,0|2,0,0]=4 9910 B17R0.43 NC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_200000034859 [0,2,0,0,0,0|2,0,0]=4 9911 B17R0.43 NC(=O)NCCOCCCCCCCCCCO 34a_100000181757_100009813290 [0,2,0,0,0,0|2,0,0]=4 9912 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_100009813290_200000034859 [0,2,0,0,0,0|2,0,0]=4 9913 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_200000034859_200000033068 [0,2,0,0,0,0|2,0,0]=4 9914 B17R0.43 NC(=O)OCCNCCCCCCCCCCO 34a_100000066964_200011214921 [0,2,0,0,0,0|2,0,0]=4 9915 B17R0.43 NC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_200011214921 [0,2,0,0,0,0|2,0,0]=4 9916 B17R0.43 NC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_200011214921 [0,2,0,0,0,0|2,0,0]=4 9917 B17R0.43 NC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_200011214921 [0,2,0,0,0,0|2,0,0]=4 9918 B17R0.43 NC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_200011214921 [0,2,0,0,0,0|2,0,0]=4 9919 B17R0.43 NC(=O)OCCOCCCCCCCCCCO 7a_100000766696_100009813290 [0,2,0,0,0,0|2,0,0]=4 9920 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_100009813290_200011214921 [0,2,0,0,0,0|2,0,0]=4 9921 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_200011214921_200000033068 [0,2,0,0,0,0|2,0,0]=4 9922 B17R0.43 NCCCCCCCCCCCCOCC(=O)N 34a_100000066677_100000187820 [0,2,0,0,0,0|1,0,0]=3 9923 B17R0.43 NCCCCCCCCCCCCOCC(=O)[O-] 34a_100000066677_100020667443 [0,2,0,0,0,0|0,0,1]=3 9924 B17R0.43 NCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066677_100000761209 [0,2,0,0,0,0|1,0,1]=4 9925 B17R0.43 NCCCCCCCCCCOCCCC(=O)N 34a_100000066964_100102525003 [0,2,0,0,0,0|1,0,0]=3 9926 B17R0.43 NCCCCCCCCCCOCCOC(=O)N 34a_100000066964_200011214921 [0,2,0,0,0,0|2,0,0]=4 9927 B17R0.43 NCCCCCCCCCOCCCCB(O)O 34a_100000078944_200009817182 [0,2,0,0,0,0|1,0,1]=4 9928 B17R0.43 NCCCCCCCCCOCCOCC(=O)N 34a_100000078944_100000076697 [0,2,0,0,0,0|2,0,0]=4 9929 B17R0.43 NCCCCCCCCOCCCCCB(O)O 34a_102515433106_200009817188 [0,2,0,0,0,0|1,0,1]=4 9930 B17R0.43 NCCCCCCCCOCCCCCC(=O)N 34a_102515433106_100009817443 [0,2,0,0,0,0|1,0,0]=3 9931 B17R0.43 NCCCCCCCOCCCCCCB(O)O 34a_100011996573_100009817187 [0,2,0,0,0,0|1,0,1]=4 9932 B17R0.43 NCCCOCCCCCCCCCCC(=O)N 34a_100000182051_200010167045 [0,2,0,0,0,0|1,0,0]=3 9933 B17R0.43 NCCNCCCCCOCCCCCC(=O)N 34a_103619048469_100009817443 [0,2,0,0,0,0|2,0,0]=4 9934 B17R0.43 NOCCOCCCCCCCCCCC(=O)N 34a_100000700252_200010167045 [0,2,0,0,0,0|2,0,0]=4 9935 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,2,0,0,0,0|0,0,0]=2 9936 B17R0.43 O=C(O)CNCCCCCCOCCCCCO 269956a_100016091260_200132310570 [0,2,0,0,0,0|1,0,0]=3 9937 B17R0.43 O=C(O)COCCNCCCCCCCCCO 269956a_100000700818_100009813782 [0,2,0,0,0,0|1,0,0]=3 9938 B17R0.43 O=C(O)COCCOCCNCCCCCCF 269956a_100009854275_100015922095 [0,2,0,0,0,0|2,0,0]=4 9939 B17R0.43 O=C(O)COCCOCCNCCCCCCO 269956a_100009854275_100000766143 [0,2,0,0,0,0|2,0,0]=4 9940 B17R0.43 O=C(O)CONCCCCCCCCCCCO 269956a_100000106656_100009812471 [0,2,0,0,0,0|1,0,0]=3 9941 B17R0.43 O=C([O-])CCCCCOCCCCCCCCO 7a_100102619762_100000033203 [0,2,0,0,0,0|0,0,1]=3 9942 B17R0.43 O=C([O-])CNCCCCCCCCCCCCO 34a_100000066677_100020667443 [0,2,0,0,0,0|0,0,1]=3 9943 B17R0.43 O=C([O-])COCCCCCCCCCCCCBr 34a_100009813331_100020667443 [0,2,0,0,0,0|0,0,1]=3 9944 B17R0.43 O=C([O-])COCCCCCOCCCCCCCl 34a_200132310570_100020667443 [0,2,0,0,0,0|1,0,1]=4 9945 B17R0.43 O=C([O-])CSCCCCCCCCCCCCO 62a_100009813331_100020667443 [0,2,0,0,0,0|0,0,1]=3 9946 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_100020667443_200132310570 [0,2,0,0,0,0|1,0,1]=4 9947 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_200132310570_100020667443 [0,2,0,0,0,0|1,0,1]=4 9948 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 34a_200015379883_100009813782 [0,2,0,0,0,0|1,0,1]=4 9949 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 7a_200015379883_100009813782 [0,2,0,0,0,0|1,0,1]=4 9950 B17R0.43 O=[N+]([O-])CCCOCCCCCCCCCCO 34a_200000037920_100009813290 [0,2,0,0,0,0|1,0,1]=4 9951 B17R0.43 O=[N+]([O-])CNCCCCCCCCCCCCO 34a_100000066677_100000761209 [0,2,0,0,0,0|1,0,1]=4 9952 B17R0.43 O=[N+]([O-])COCCCCCCCCCCCCBr 34a_100009813331_100000761209 [0,2,0,0,0,0|1,0,1]=4 9953 B17R0.43 O=[N+]([O-])CSCCCCCCCCCCCCO 62a_100009813331_100000761209 [0,2,0,0,0,0|1,0,1]=4 9954 B17R0.43 OB(O)CCCCCCOCCCCCCCBr 34a_100000760002_100009817187 [0,2,0,0,0,0|1,0,1]=4 9955 B17R0.43 OB(O)CCCCCCOCCCCCCCBr 7a_100000760002_100009817187 [0,2,0,0,0,0|1,0,1]=4 9956 B17R0.43 OB(O)CCCCCOCCCCCCCCBr 34a_100009813846_200009817188 [0,2,0,0,0,0|1,0,1]=4 9957 B17R0.43 OB(O)CCCCCOCCCCCCCCBr 7a_100009813846_200009817188 [0,2,0,0,0,0|1,0,1]=4 9958 B17R0.43 OB(O)CCCCCOCCCCCCCCCl 34a_100000033203_200009817188 [0,2,0,0,0,0|1,0,1]=4 9959 B17R0.43 OB(O)CCCCCOCCCCCCCCCl 7a_100000033203_200009817188 [0,2,0,0,0,0|1,0,1]=4 9960 B17R0.43 OB(O)CCCCOCCCCCCCCCBr 34a_100009813782_200009817182 [0,2,0,0,0,0|1,0,1]=4 9961 B17R0.43 OB(O)CCCCOCCCCCCCCCBr 7a_100009813782_200009817182 [0,2,0,0,0,0|1,0,1]=4 9962 B17R0.43 OB(O)CCCCOCCCCCCCCCCl 34a_100009868337_200009817182 [0,2,0,0,0,0|1,0,1]=4 9963 B17R0.43 OB(O)CCCCOCCCCCCCCCCl 7a_100009868337_200009817182 [0,2,0,0,0,0|1,0,1]=4 9964 B17R0.43 OCCCCCCCCCNCCCCB(O)O 2230a_100000078944_200009817182 [0,2,0,0,0,0|1,0,1]=4 9965 B17R0.43 OCCCCCCCCCNCCCCB(O)O 34a_100000078944_200009817182 [0,2,0,0,0,0|1,0,1]=4 9966 B17R0.43 OCCCCCCCCCSCCCCB(O)O 62a_100009813782_200009817182 [0,2,0,0,0,0|1,0,1]=4 9967 B17R0.43 OCCCCCCCCCSCCCCB(O)O 62a_200009817182_100009813782 [0,2,0,0,0,0|1,0,1]=4 9968 B17R0.43 OCCCCCCCCNCCCCCB(O)O 2230a_102515433106_200009817188 [0,2,0,0,0,0|1,0,1]=4 9969 B17R0.43 OCCCCCCCCNCCCCCB(O)O 34a_102515433106_200009817188 [0,2,0,0,0,0|1,0,1]=4 9970 B17R0.43 OCCCCCCCCSCCCCCB(O)O 62a_100000033203_200009817188 [0,2,0,0,0,0|1,0,1]=4 9971 B17R0.43 OCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000033203 [0,2,0,0,0,0|1,0,1]=4 9972 B17R0.43 OCCCCCCCNCCCCCCB(O)O 2230a_100011996573_100009817187 [0,2,0,0,0,0|1,0,1]=4 9973 B17R0.43 OCCCCCCCNCCCCCCB(O)O 34a_100011996573_100009817187 [0,2,0,0,0,0|1,0,1]=4 9974 B17R0.43 OCCCCCCCSCCCCCCB(O)O 62a_100000760002_100009817187 [0,2,0,0,0,0|1,0,1]=4 9975 B17R0.43 OCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000760002 [0,2,0,0,0,0|1,0,1]=4 9976 B17R0.116 C=CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011093070 [0,2,0,0,0,0|0,0,2]=4 9977 B17R0.116 C=CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011933949 [0,2,0,0,0,0|0,0,2]=4 9978 B17R0.116 CCC#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_200000036426 [0,2,0,0,0,0|0,0,2]=4 9979 B17R0.116 CCCCC#CCCCCCCN(C)CC(=O)O 269956a_100000746989_200000043322 [0,2,0,0,0,0|0,0,2]=4 9980 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [0,2,0,0,0,0|1,0,0]=3 9981 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [0,2,0,0,0,0|1,0,0]=3 9982 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [0,2,0,0,0,0|0,0,1]=3 9983 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [0,2,0,0,0,0|1,0,1]=4 9984 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [0,2,0,0,0,0|1,0,1]=4 9985 B17R0.116 CCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011215791_100000761209 [0,2,0,0,0,0|1,0,1]=4 9986 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000227908_100000747473 [0,2,0,0,0,0|1,0,0]=3 9987 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215052 [0,2,0,0,0,0|1,0,0]=3 9988 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 269982a_100000227908_100000187820 [0,2,0,0,0,0|1,0,0]=3 9989 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_100011218549 [0,2,0,0,0,0|1,0,0]=3 9990 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,2,0,0,0,0|0,0,0]=2 9991 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000227908_100020667443 [0,2,0,0,0,0|0,0,1]=3 9992 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215052 [0,2,0,0,0,0|1,0,1]=4 9993 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227908_100011218427 [0,2,0,0,0,0|1,0,1]=4 9994 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000759014 [0,2,0,0,0,0|1,0,1]=4 9995 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227908_100011218427 [0,2,0,0,0,0|1,0,1]=4 9996 B17R0.116 CCCCCCCCCCCCN(C)CC(C)O 270004a_100000227577_100011218549 [0,2,0,0,0,0|1,0,1]=4 9997 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000227908_100009817552 [0,2,0,0,0,0|1,0,1]=4 9998 B17R0.116 CCCCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000227908_100009817552 [0,2,0,0,0,0|1,0,1]=4 9999 B17R0.116 CCCCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000227908_100000761209 [0,2,0,0,0,0|1,0,1]=4 10000 B17R0.116 CCCCCCCCCCCNC(=O)CC(=O)N 240690a_200011215754_100134613110 [0,2,0,0,0,0|1,0,1]=4 10001 B17R0.116 CCCCCCCCCCCNC(=O)CC(=O)N 527a_200011215754_100134613110 [0,2,0,0,0,0|1,0,1]=4 10002 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,2,0,0,0,0|0,0,0]=2 10003 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009812471 [0,2,0,0,0,0|2,0,0]=4 10004 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009812471 [0,2,0,0,0,0|1,0,0]=3 10005 B17R0.116 NC(=O)CC(=O)CCCCCCCCCCCO 1458a_100134613110_100009812471 [0,2,0,0,0,0|1,0,1]=4 10006 B17R0.116 O=C(O)CC(O)CNCCCCCCCCCO 269956a_100011218706_100009813782 [0,2,0,0,0,0|1,0,0]=3 10007 B17R0.139 CCCCCCC(C)CCOCCCCB(O)O 34a_200011024964_200009817182 [0,2,0,0,0,0|1,0,1]=4 10008 B17R0.139 CCCCCCC(C)CCOCCCCB(O)O 7a_200011024964_200009817182 [0,2,0,0,0,0|1,0,1]=4 10009 B17R0.139 CCCCCCC(C)CCOCCCCC(=O)C 34a_200011024964_100009817362 [0,2,0,0,0,0|1,0,0]=3 10010 B17R0.139 CCCCCCC(C)CCOCCCCC(=O)C 7a_200011024964_100000735457 [0,2,0,0,0,0|1,0,0]=3 10011 B17R0.139 CCCCCCC(C)CCOCCCOC(=O)C 34a_200011024964_100000042594 [0,2,0,0,0,0|2,0,0]=4 10012 B17R0.139 CCCCCCC(C)CCOCCCOC(=O)C 7a_200011024964_100000042594 [0,2,0,0,0,0|2,0,0]=4 10013 B17R0.139 CCCCCCC(C)CCOCCCSC(=O)C 34a_200011024964_100000038929 [0,2,0,0,0,0|2,0,0]=4 10014 B17R0.139 CCCCCCC(C)CCOCCCSC(=O)C 7a_200011024964_100000038929 [0,2,0,0,0,0|2,0,0]=4 10015 B17R0.139 CCCCCCC(C)CCOCCOCC(=O)N 34a_200011024964_100000076697 [0,2,0,0,0,0|2,0,0]=4 10016 B17R0.139 CCCCCCC(C)CCOCCOCC(=O)N 7a_200011024964_100000076697 [0,2,0,0,0,0|2,0,0]=4 10017 B17R0.139 CCCCCCC(C)NCCCCCCB(O)O 2230a_100000210919_100009817187 [0,2,0,0,0,0|1,0,1]=4 10018 B17R0.139 CCCCCCC(C)NCCCCCCB(O)O 34a_100000210919_100009817187 [0,2,0,0,0,0|1,0,1]=4 10019 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100011215978 [0,2,0,0,0,0|2,0,0]=4 10020 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210826 [0,2,0,0,0,0|2,0,0]=4 10021 B17R0.139 CCCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215978 [0,2,0,0,0,0|2,0,0]=4 10022 B17R0.139 CCCCCCC(C)NCCCCCOC(=O)C 2230a_100000210919_100009813381 [0,2,0,0,0,0|2,0,0]=4 10023 B17R0.139 CCCCCCC(C)NCCCCCOC(=O)C 34a_100000210919_100000033007 [0,2,0,0,0,0|2,0,0]=4 10024 B17R0.139 CCCCCCC(C)OCCCCCCB(O)O 34a_100000210265_100009817187 [0,2,0,0,0,0|1,0,1]=4 10025 B17R0.139 CCCCCCC(C)OCCCCCCB(O)O 7a_100000210265_100009817187 [0,2,0,0,0,0|1,0,1]=4 10026 B17R0.139 CCCCCCC(C)OCCCCCOC(=O)C 34a_100000210265_100000033007 [0,2,0,0,0,0|2,0,0]=4 10027 B17R0.139 CCCCCCC(C)OCCCCCOC(=O)C 7a_100000210265_100000033007 [0,2,0,0,0,0|2,0,0]=4 10028 B17R0.139 CCCCCCC(C)SCCCCCCB(O)O 62a_100009817187_100011215978 [0,2,0,0,0,0|1,0,1]=4 10029 B17R0.139 CCCCCCC(C)SCCCCCCB(O)O 62a_100011215978_100009817187 [0,2,0,0,0,0|1,0,1]=4 10030 B17R0.139 CCCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_100011215978 [0,2,0,0,0,0|2,0,0]=4 10031 B17R0.139 CCCCCCC(C)SCCCCCOC(=O)C 62a_100011215978_100000033007 [0,2,0,0,0,0|2,0,0]=4 10032 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,2,0,0,0,0|1,0,0]=3 10033 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [0,2,0,0,0,0|1,0,1]=4 10034 B17R0.192 CCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215454 [0,2,0,0,0,0|1,0,1]=4 10035 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,2,0,0,0,0|1,0,1]=4 10036 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215454 [0,2,0,0,0,0|1,0,1]=4 10037 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,2,0,0,0,0|1,0,1]=4 10038 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,2,0,0,0,0|1,0,1]=4 10039 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,2,0,0,0,0|1,0,1]=4 10040 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210736 [0,2,0,0,0,0|1,0,1]=4 10041 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210736 [0,2,0,0,0,0|1,0,1]=4 10042 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,2,0,0,0,0|1,0,1]=4 10043 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,2,0,0,0,0|1,0,1]=4 10044 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [0,2,0,0,0,0|1,0,1]=4 10045 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 34a_100011217895_100000187820 [0,2,0,0,0,0|1,0,0]=3 10046 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 7a_100011217895_100000187820 [0,2,0,0,0,0|1,0,0]=3 10047 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011217895_100020667443 [0,2,0,0,0,0|0,0,1]=3 10048 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [0,2,0,0,0,0|1,0,1]=4 10049 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [0,2,0,0,0,0|1,0,1]=4 10050 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [0,2,0,0,0,0|1,0,1]=4 10051 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [0,2,0,0,0,0|1,0,1]=4 10052 B17R0.192 CCCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011217895_100000761209 [0,2,0,0,0,0|1,0,1]=4 10053 B17R0.192 CCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215454 [0,2,0,0,0,0|1,0,0]=3 10054 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 240690a_100000684558_100011215257 [0,2,0,0,0,0|1,0,1]=4 10055 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 527a_100000684558_100011215257 [0,2,0,0,0,0|1,0,1]=4 10056 B17R0.192 CCCCCCCCCCNC(C)COC(=O)C 270004a_100000684558_100000000629 [0,2,0,0,0,0|2,0,0]=4 10057 B17R0.192 CCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210670 [0,2,0,0,0,0|1,0,1]=4 10058 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 2230a_100000212291_200000116872 [0,2,0,0,0,0|2,0,0]=4 10059 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 34a_100000212291_200000116872 [0,2,0,0,0,0|2,0,0]=4 10060 B17R0.192 CCCCCCCCCNCC(O)COC(=O)C 34a_100000212291_200000139349 [0,2,0,0,0,0|2,0,0]=4 10061 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 34a_100000210712_200000116872 [0,2,0,0,0,0|2,0,0]=4 10062 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 7a_100000210712_200000116872 [0,2,0,0,0,0|2,0,0]=4 10063 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 34a_100000210712_200000139349 [0,2,0,0,0,0|2,0,0]=4 10064 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 7a_100000210712_200000139349 [0,2,0,0,0,0|2,0,0]=4 10065 B17R0.192 CCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210670 [0,2,0,0,0,0|2,0,0]=4 10066 B17R0.192 CCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210759 [0,2,0,0,0,0|1,0,1]=4 10067 B17R0.192 CN(CCCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009813290 [0,2,0,0,0,0|2,0,0]=4 10068 B17R0.192 NC(=O)CCC(=O)CCCCCCCCCCO 1458a_100011215257_100009813290 [0,2,0,0,0,0|1,0,1]=4 10069 B17R0.197 CCCCCCCCCCCCCNS(=O)(=O)C 40a_100011215765_100000738038 [0,2,0,0,0,0|1,0,1]=4 10070 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011215052 [0,2,0,0,0,0|1,0,1]=4 10071 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 270004a_100000751335_100011218549 [0,2,0,0,0,0|1,0,1]=4 10072 B17R0.197 CCCCCCCCCCCCNCC(C)(C)O 34a_100000210451_100000764493 [0,2,0,0,0,0|1,0,1]=4 10073 B17R0.197 CCCCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000210451_100009817235 [0,2,0,0,0,0|1,0,1]=4 10074 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 34a_100000210810_100000764493 [0,2,0,0,0,0|1,0,1]=4 10075 B17R0.197 CCCCCCCCCCCCOCC(C)(C)O 7a_100000210810_100000764493 [0,2,0,0,0,0|1,0,1]=4 10076 B17R0.197 CCCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210810_100009817235 [0,2,0,0,0,0|1,0,1]=4 10077 B17R0.197 CCCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000759014 [0,2,0,0,0,0|1,0,1]=4 10078 B17R0.197 CCCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000759014 [0,2,0,0,0,0|1,0,1]=4 10079 B17R0.197 CCCCCCCCCCCNCCC(C)(C)O 2230a_200011215754_100000702414 [0,2,0,0,0,0|1,0,1]=4 10080 B17R0.197 CCCCCCCCCCCNCCC(C)(C)O 34a_200011215754_100000702414 [0,2,0,0,0,0|1,0,1]=4 10081 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215454 [0,2,0,0,0,0|1,0,1]=4 10082 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 2230a_200011215754_100000731031 [0,2,0,0,0,0|1,0,1]=4 10083 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011215454 [0,2,0,0,0,0|1,0,1]=4 10084 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)C 34a_200011215754_100000731031 [0,2,0,0,0,0|1,0,1]=4 10085 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215454 [0,2,0,0,0,0|1,0,1]=4 10086 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011215454 [0,2,0,0,0,0|1,0,1]=4 10087 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_200011215754_100000737633 [0,2,0,0,0,0|1,0,1]=4 10088 B17R0.197 CCCCCCCCCCCNCCS(=O)(=O)[O-] 34a_200011215754_100000762736 [0,2,0,0,0,0|1,0,1]=4 10089 B17R0.197 CCCCCCCCCCCOCCC(C)(C)O 34a_100000210809_100000702414 [0,2,0,0,0,0|1,0,1]=4 10090 B17R0.197 CCCCCCCCCCCOCCC(C)(C)O 7a_100000210809_100000702414 [0,2,0,0,0,0|1,0,1]=4 10091 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210809_100000731031 [0,2,0,0,0,0|1,0,1]=4 10092 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011215454 [0,2,0,0,0,0|1,0,1]=4 10093 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210809_100000230027 [0,2,0,0,0,0|1,0,1]=4 10094 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100011215454 [0,2,0,0,0,0|1,0,1]=4 10095 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011215454 [0,2,0,0,0,0|1,0,1]=4 10096 B17R0.197 CCCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210809_100000762736 [0,2,0,0,0,0|1,0,1]=4 10097 B17R0.197 CCCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100011215454 [0,2,0,0,0,0|1,0,1]=4 10098 B17R0.197 CCCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100011215454 [0,2,0,0,0,0|1,0,1]=4 10099 B17R0.197 CCCCCCCCCCNCCCC(C)(C)O 2230a_100000684558_100009888830 [0,2,0,0,0,0|1,0,1]=4 10100 B17R0.197 CCCCCCCCCCNCCCC(C)(C)O 34a_100000684558_100009888830 [0,2,0,0,0,0|1,0,1]=4 10101 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000684558_100000754308 [0,2,0,0,0,0|1,0,1]=4 10102 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210320 [0,2,0,0,0,0|1,0,1]=4 10103 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 34a_100000684558_100000754308 [0,2,0,0,0,0|1,0,1]=4 10104 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210320 [0,2,0,0,0,0|1,0,1]=4 10105 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)N 2230a_100000684558_100000750626 [0,2,0,0,0,0|1,0,1]=4 10106 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)N 34a_100000684558_100000750626 [0,2,0,0,0,0|1,0,1]=4 10107 B17R0.197 CCCCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000684558_100009813499 [0,2,0,0,0,0|1,0,1]=4 10108 B17R0.197 CCCCCCCCCCOCCCC(C)(C)O 34a_100000210711_100009888830 [0,2,0,0,0,0|1,0,1]=4 10109 B17R0.197 CCCCCCCCCCOCCCC(C)(C)O 7a_100000210711_100009888830 [0,2,0,0,0,0|1,0,1]=4 10110 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 34a_100000210711_100000754308 [0,2,0,0,0,0|1,0,1]=4 10111 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210320 [0,2,0,0,0,0|1,0,1]=4 10112 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 7a_100000210711_100000754308 [0,2,0,0,0,0|1,0,1]=4 10113 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210320 [0,2,0,0,0,0|1,0,1]=4 10114 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)N 34a_100000210711_100000750626 [0,2,0,0,0,0|1,0,1]=4 10115 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)N 7a_100000210711_100000750626 [0,2,0,0,0,0|1,0,1]=4 10116 B17R0.197 CCCCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210711_100009813499 [0,2,0,0,0,0|1,0,1]=4 10117 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210320 [0,2,0,0,0,0|1,0,1]=4 10118 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210320 [0,2,0,0,0,0|1,0,1]=4 10119 B17R0.197 CCCCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210320 [0,2,0,0,0,0|1,0,1]=4 10120 B17R0.197 CCCCCCCCNCCCCCC(C)(C)O 2230a_100000229939_100010402123 [0,2,0,0,0,0|1,0,1]=4 10121 B17R0.197 CCCCCCCCNCCCCCC(C)(C)O 34a_100000229939_100010402123 [0,2,0,0,0,0|1,0,1]=4 10122 B17R0.197 CCCCCCCCOCCCCCC(C)(C)O 34a_100000210232_100010402123 [0,2,0,0,0,0|1,0,1]=4 10123 B17R0.197 CCCCCCCCOCCCCCC(C)(C)O 7a_100000210232_100010402123 [0,2,0,0,0,0|1,0,1]=4 10124 B17R0.1713 C=C(C)COCCCCCCCCCCC(=O)N 34a_100000210245_200010167045 [0,2,0,0,0,0|1,0,1]=4 10125 B17R0.1713 C=C(C)CSCCCCCCCCCCC(=O)N 62a_100000748629_200010167045 [0,2,0,0,0,0|1,0,1]=4 10126 B17R0.1713 C=C(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000211660 [0,2,0,0,0,0|1,0,1]=4 10127 B17R0.1713 CC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000070787_100010140907 [0,2,0,0,0,0|1,0,1]=4 10128 B17R0.1713 CC(=O)CCCCOCCCCCCCC(C)C 34a_200000210741_100009817362 [0,2,0,0,0,0|1,0,0]=3 10129 B17R0.1713 CC(=O)CCCCOCCCCCCCC(C)C 7a_200000210741_100000735457 [0,2,0,0,0,0|1,0,0]=3 10130 B17R0.1713 CC(=O)COCCCCCCCCCCC(=O)N 34a_100000211253_200010167045 [0,2,0,0,0,0|1,0,1]=4 10131 B17R0.1713 CC(=O)NCCCCCCNCCCCC(C)C 2230a_200011996284_100011216152 [0,2,0,0,0,0|2,0,0]=4 10132 B17R0.1713 CC(=O)NCCCCCCNCCCCC(C)C 34a_200011996284_100011216152 [0,2,0,0,0,0|2,0,0]=4 10133 B17R0.1713 CC(=O)NCCCCCNCCCCCC(C)C 2230a_200012022750_100000210682 [0,2,0,0,0,0|2,0,0]=4 10134 B17R0.1713 CC(=O)NCCCCCNCCCCCC(C)C 34a_200012022750_100000210682 [0,2,0,0,0,0|2,0,0]=4 10135 B17R0.1713 CC(=O)OCCCCCNCCCCCC(C)C 2230a_100011290863_100009813381 [0,2,0,0,0,0|2,0,0]=4 10136 B17R0.1713 CC(=O)OCCCCCNCCCCCC(C)C 34a_100011290863_100000033007 [0,2,0,0,0,0|2,0,0]=4 10137 B17R0.1713 CC(=O)OCCCCCOCCCCCC(C)C 34a_100011995859_100000033007 [0,2,0,0,0,0|2,0,0]=4 10138 B17R0.1713 CC(=O)OCCCCCOCCCCCC(C)C 7a_100011995859_100000033007 [0,2,0,0,0,0|2,0,0]=4 10139 B17R0.1713 CC(=O)OCCCCCSCCCCCC(C)C 62a_100000033007_100000210682 [0,2,0,0,0,0|2,0,0]=4 10140 B17R0.1713 CC(=O)OCCCCCSCCCCCC(C)C 62a_100000210682_100000033007 [0,2,0,0,0,0|2,0,0]=4 10141 B17R0.1713 CC(=O)OCCCCNCCCCCCC(C)C 34a_100000211014_100000033659 [0,2,0,0,0,0|2,0,0]=4 10142 B17R0.1713 CC(=O)OCCCOCCCCCCCC(C)C 34a_200000210741_100000042594 [0,2,0,0,0,0|2,0,0]=4 10143 B17R0.1713 CC(=O)OCCCOCCCCCCCC(C)C 7a_200000210741_100000042594 [0,2,0,0,0,0|2,0,0]=4 10144 B17R0.1713 CC(=O)SCCCCCCCCCCCN(C)C 2230a_100102631434_100010140907 [0,2,0,0,0,0|2,0,0]=4 10145 B17R0.1713 CC(=O)SCCCCCCCCCCCN(C)C 269982a_100102631434_100010140907 [0,2,0,0,0,0|2,0,0]=4 10146 B17R0.1713 CC(=O)SCCCCNCCCCCCC(C)C 2230a_100000211014_200010402107 [0,2,0,0,0,0|2,0,0]=4 10147 B17R0.1713 CC(=O)SCCCCNCCCCCCC(C)C 34a_100000211014_200010402107 [0,2,0,0,0,0|2,0,0]=4 10148 B17R0.1713 CC(=O)SCCCOCCCCCCCC(C)C 34a_200000210741_100000038929 [0,2,0,0,0,0|2,0,0]=4 10149 B17R0.1713 CC(=O)SCCCOCCCCCCCC(C)C 7a_200000210741_100000038929 [0,2,0,0,0,0|2,0,0]=4 10150 B17R0.1713 CC(Br)COCCCCCCCCCCC(=O)N 34a_100012180447_200010167045 [0,2,0,0,0,0|1,0,0]=3 10151 B17R0.1713 CC(C)CCCCCCCOCCCCB(O)O 34a_200000210741_200009817182 [0,2,0,0,0,0|1,0,1]=4 10152 B17R0.1713 CC(C)CCCCCCCOCCCCB(O)O 7a_200000210741_200009817182 [0,2,0,0,0,0|1,0,1]=4 10153 B17R0.1713 CC(C)CCCCCCCOCCOCC(=O)N 34a_200000210741_100000076697 [0,2,0,0,0,0|2,0,0]=4 10154 B17R0.1713 CC(C)CCCCCCCOCCOCC(=O)N 7a_200000210741_100000076697 [0,2,0,0,0,0|2,0,0]=4 10155 B17R0.1713 CC(C)CCCCCCNCCCCCB(O)O 2230a_100000211014_200009817188 [0,2,0,0,0,0|1,0,1]=4 10156 B17R0.1713 CC(C)CCCCCCNCCCCCB(O)O 34a_100000211014_200009817188 [0,2,0,0,0,0|1,0,1]=4 10157 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 2230a_100000211014_100009817443 [0,2,0,0,0,0|1,0,0]=3 10158 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 34a_100000211014_100009817443 [0,2,0,0,0,0|1,0,0]=3 10159 B17R0.1713 CC(C)CCCCCNCCCCCCB(O)O 2230a_100011290863_100009817187 [0,2,0,0,0,0|1,0,1]=4 10160 B17R0.1713 CC(C)CCCCCNCCCCCCB(O)O 34a_100011290863_100009817187 [0,2,0,0,0,0|1,0,1]=4 10161 B17R0.1713 CC(C)CCCCCOCCCCCCB(O)O 34a_100011995859_100009817187 [0,2,0,0,0,0|1,0,1]=4 10162 B17R0.1713 CC(C)CCCCCOCCCCCCB(O)O 7a_100011995859_100009817187 [0,2,0,0,0,0|1,0,1]=4 10163 B17R0.1713 CC(C)CCCCCSCCCCCCB(O)O 62a_100000210682_100009817187 [0,2,0,0,0,0|1,0,1]=4 10164 B17R0.1713 CC(C)CCCCCSCCCCCCB(O)O 62a_100009817187_100000210682 [0,2,0,0,0,0|1,0,1]=4 10165 B17R0.1713 CC(C)CCCCNCCOCCOCC(=O)O 269956a_100009854275_100011216152 [0,2,0,0,0,0|2,0,0]=4 10166 B17R0.1713 CC(C)CNCCCCCCCCCCC(=O)N 2230a_100000210953_200010167045 [0,2,0,0,0,0|1,0,0]=3 10167 B17R0.1713 CC(C)CNCCCCCCCCCCC(=O)N 34a_100000210953_200010167045 [0,2,0,0,0,0|1,0,0]=3 10168 B17R0.1713 CC(C)COCCCCCCCCCCC(=O)N 34a_100000210257_200010167045 [0,2,0,0,0,0|1,0,0]=3 10169 B17R0.1713 CC(C)CSCCCCCCCCCCC(=O)N 62a_100000210624_200010167045 [0,2,0,0,0,0|1,0,0]=3 10170 B17R0.1713 CC(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000210760 [0,2,0,0,0,0|1,0,0]=3 10171 B17R0.1713 CC(C)NCCCCCOCCCCCC(=O)N 34a_100011629493_100009817443 [0,2,0,0,0,0|2,0,0]=4 10172 B17R0.1713 CC(F)COCCCCCCCCCCC(=O)N 34a_100015925927_200010167045 [0,2,0,0,0,0|1,0,0]=3 10173 B17R0.1713 CC(O)CNCCCCCCCCCCC(=O)N 2230a_100000210904_200010167045 [0,2,0,0,0,0|1,0,0]=3 10174 B17R0.1713 CC(O)CNCCCCCCCCCCC(=O)N 34a_100000210904_200010167045 [0,2,0,0,0,0|1,0,0]=3 10175 B17R0.1713 CC(O)CSCCCCCCCCCCC(=O)N 62a_100011218427_200010167045 [0,2,0,0,0,0|1,0,0]=3 10176 B17R0.1713 CC(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011218427 [0,2,0,0,0,0|1,0,0]=3 10177 B17R0.1713 C[C@@H](Cl)COCCCCCCCCCCC(=O)N 34a_100016084084_200010167045 [0,2,0,0,0,0|1,0,0]=3 10178 B17R0.1713 C[C@@H](N)COCCCCCCCCCCC(=O)N 34a_100000737577_200010167045 [0,2,0,0,0,0|1,0,0]=3 10179 B17R0.1713 C[C@@H](O)CSCCCCCCCCCCC(=O)N 62a_100009817552_200010167045 [0,2,0,0,0,0|1,0,0]=3 10180 B17R0.1713 C[C@@H](O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100009817552 [0,2,0,0,0,0|1,0,0]=3 10181 B17R0.1713 NC(=O)CCCCCCCCCCNCC(=O)O 269956a_100016091260_200010167045 [0,2,0,0,0,0|1,0,1]=4 10182 B17R0.1713 NC(=O)CCCCCCCCCCNCC(F)F 34a_100000765723_200010167045 [0,2,0,0,0,0|2,0,0]=4 10183 B17R0.1713 NC(=O)CCCCCCCCCCOCC(F)F 34a_100000743014_200010167045 [0,2,0,0,0,0|2,0,0]=4 10184 B17R0.1713 NC(=O)CCCCCCCCCCSCC(F)F 62a_100011934356_200010167045 [0,2,0,0,0,0|2,0,0]=4 10185 B17R0.1713 NC(=O)CCCCCCCCCCSCC(F)F 62a_200010167045_100011934356 [0,2,0,0,0,0|2,0,0]=4 10186 B17R0.8801 CCCCCCCCCC(=O)CCCCB(O)O 1458a_100000210558_200009817182 [0,2,0,0,0,0|1,0,1]=4 10187 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210558_100000735457 [0,2,0,0,0,0|1,0,0]=3 10188 B17R0.8801 CCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210670 [0,2,0,0,0,0|1,0,1]=4 10189 B17R0.8801 CCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210558_100000042594 [0,2,0,0,0,0|1,0,1]=4 10190 B17R0.8801 CCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210558_100000038929 [0,2,0,0,0,0|1,0,1]=4 10191 B17R0.8801 CCCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210558_100000076697 [0,2,0,0,0,0|1,0,1]=4 10192 B17R0.8801 CCCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210670 [0,2,0,0,0,0|1,0,1]=4 10193 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210558 [0,2,0,0,0,0|1,0,1]=4 10194 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210558 [0,2,0,0,0,0|1,0,1]=4 10195 B17R0.8801 CCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_200010990708 [0,2,0,0,0,0|1,0,1]=4 10196 B17R0.8801 CCCCCCCCCC(C)CNCCC(C)O 270004a_200000755665_200011218516 [0,2,0,0,0,0|1,0,1]=4 10197 B17R0.8801 CCCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100011215753 [0,2,0,0,0,0|2,0,0]=4 10198 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)C 34a_100011218016_100000685027 [0,2,0,0,0,0|1,0,0]=3 10199 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)C 7a_100011218016_100011215641 [0,2,0,0,0,0|1,0,0]=3 10200 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)N 34a_100011218016_100102525003 [0,2,0,0,0,0|1,0,0]=3 10201 B17R0.8801 CCCCCCCCCC(C)OCCCC(=O)N 7a_100011218016_100102525003 [0,2,0,0,0,0|1,0,0]=3 10202 B17R0.8801 CCCCCCCCCC(C)OCCCC(C)O 34a_100011218016_200000718107 [0,2,0,0,0,0|1,0,1]=4 10203 B17R0.8801 CCCCCCCCCC(C)OCCCC(C)O 7a_100011218016_200000718107 [0,2,0,0,0,0|1,0,1]=4 10204 B17R0.8801 CCCCCCCCCC(C)OCCNC(=O)C 7a_100011218016_100000189650 [0,2,0,0,0,0|2,0,0]=4 10205 B17R0.8801 CCCCCCCCCC(C)OCCNC(=O)N 7a_100011218016_200000034859 [0,2,0,0,0,0|2,0,0]=4 10206 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)C 34a_100011218016_100009814007 [0,2,0,0,0,0|2,0,0]=4 10207 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)C 7a_100011218016_100009814007 [0,2,0,0,0,0|2,0,0]=4 10208 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)N 34a_100011218016_200011214921 [0,2,0,0,0,0|2,0,0]=4 10209 B17R0.8801 CCCCCCCCCC(C)OCCOC(=O)N 7a_100011218016_200011214921 [0,2,0,0,0,0|2,0,0]=4 10210 B17R0.8801 CCCCCCCCCN(C)CCCCB(O)O 2230a_100000232482_200009817182 [0,2,0,0,0,0|1,0,1]=4 10211 B17R0.8801 CCCCCCCCCN(C)CCCCB(O)O 269982a_100000232482_200009817182 [0,2,0,0,0,0|1,0,1]=4 10212 B17R0.8801 CCCCCCCCCN(C)CCCCC(=O)C 269982a_100000232482_100000735457 [0,2,0,0,0,0|1,0,0]=3 10213 B17R0.8801 CCCCCCCCCN(C)CCCOC(=O)C 269982a_100000232482_100000042594 [0,2,0,0,0,0|2,0,0]=4 10214 B17R0.8801 CCCCCCCCCN(C)CCCSC(=O)C 2230a_100000232482_100000038929 [0,2,0,0,0,0|2,0,0]=4 10215 B17R0.8801 CCCCCCCCCN(C)CCCSC(=O)C 269982a_100000232482_100000038929 [0,2,0,0,0,0|2,0,0]=4 10216 B17R0.8801 CCCCCCCCCN(C)CCOCC(=O)N 2230a_100000232482_100000076697 [0,2,0,0,0,0|2,0,0]=4 10217 B17R0.8801 CCCCCCCCCN(C)CCOCC(=O)N 269982a_100000232482_100000076697 [0,2,0,0,0,0|2,0,0]=4 10218 B17R0.114 CCCCCCCCCC(C)CN(C)CC(=O)N 270004a_100000739694_200011218516 [0,2,0,0,0,0|2,0,0]=4 10219 B17R0.1598 CC(=O)CCCCOCCC(C)CCCC(C)C 34a_100000015991_100009817362 [0,2,0,0,0,0|2,0,0]=4 10220 B17R0.1598 CC(=O)CCCCOCCC(C)CCCC(C)C 7a_100000015991_100000735457 [0,2,0,0,0,0|2,0,0]=4 10221 B17R0.1598 CC(C)CCCC(C)CCNCCCCC(=O)N 34a_100000696515_100009816328 [0,2,0,0,0,0|2,0,0]=4 10222 B17R0.1598 CC(C)CCCC(C)CCNCCOCC(=O)O 269956a_100000700818_100009816328 [0,2,0,0,0,0|2,0,0]=4 10223 B17R0.1598 CC(C)CCCC(C)CCOCCCCC(=O)N 34a_100012022536_100009816328 [0,2,0,0,0,0|2,0,0]=4 10224 B17R0.1598 CC(C)CCCC(C)CCOCCCCC(=O)N 7a_100012022536_100009816328 [0,2,0,0,0,0|2,0,0]=4 10225 B17R0.3117 CCCCCCCCC(O)C(=O)CCCC(=O)C 1458a_200011995895_100011215641 [0,2,0,0,0,0|1,0,1]=4 10226 B17R0.3117 CCCCCCCCC(O)C(=O)CCCC(=O)N 1458a_200011995895_100102525003 [0,2,0,0,0,0|1,0,1]=4 10227 B17R0.5683 CCCCCCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100011215753 [0,2,0,0,0,0|2,0,0]=4 10228 B17R0.189 CCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100011215454 [0,2,0,0,0,0|1,0,0]=3 10229 B17R0.189 CCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100011215454 [0,2,0,0,0,0|1,0,1]=4 10230 B17R0.189 CCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210320 [0,2,0,0,0,0|1,0,0]=3 10231 B17R0.189 CCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210320 [0,2,0,0,0,0|1,0,0]=3 10232 B17R0.189 CCN(CCCCCCCCCCO)CC(=O)O 269956a_100000746405_100009813290 [0,2,0,0,0,0|2,0,0]=4 10233 B17R0.189 CC[C@H](CC(=O)O)NCCCCCCCCCO 269956a_100016995926_100009813782 [0,2,0,0,0,0|2,0,0]=4 10234 B17R0.189 O=C(O)C[C@@H](CO)NCCCCCCCCCO 269956a_100009816507_100009813782 [0,2,0,0,0,0|2,0,0]=4 10235 B17R0.6460 CC(C)(CC(=O)O)NCCCCCCCCCO 269956a_100000755897_100009813782 [0,2,0,0,0,0|2,0,0]=4 10236 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210320 [0,2,0,0,0,0|2,0,0]=4 10237 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210320 [0,2,0,0,0,0|1,0,0]=3 10238 B17R0.6460 CCCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210320 [0,2,0,0,0,0|2,0,0]=4 10239 B17R0.13636 CCCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_200011219864 [0,2,0,0,0,0|2,0,0]=4 10240 B17R0.1620 CC(C)(C)NCCCCCCCCCCC(=O)N 2230a_100000715429_200010167045 [0,2,0,0,0,0|2,0,0]=4 10241 B17R0.1620 CC(C)(C)OCCCCCCCCCCC(=O)N 34a_100015890283_200010167045 [0,2,0,0,0,0|2,0,0]=4 10242 B17R0.1620 CC(C)(C)OCCCCCCCCCCC(=O)N 7a_100015890283_200010167045 [0,2,0,0,0,0|2,0,0]=4 10243 B17R0.1620 CC(C)(C)SCCCCCCCCCCC(=O)N 62a_100000211941_200010167045 [0,2,0,0,0,0|2,0,0]=4 10244 B17R0.1620 CC(C)(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000211941 [0,2,0,0,0,0|2,0,0]=4 10245 B17R0.1620 CC(C)(O)CCCCCOCCCCCC(=O)N 34a_100000123541_100010402123 [0,2,0,0,0,0|2,0,0]=4 10246 B17R0.1620 CC(C)(O)CCCCCOCCCCCC(=O)N 7a_100000123541_100010402123 [0,2,0,0,0,0|2,0,0]=4 10247 B17R0.1620 CC(C)(O)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010402123 [0,2,0,0,0,0|1,0,1]=4 10248 B17R0.1620 CC(C)(O)CCCCCSCCCCCC(=O)N 62a_100009817443_100010402123 [0,2,0,0,0,0|2,0,0]=4 10249 B17R0.1620 CC(C)(O)CCCCCSCCCCCC(=O)N 62a_100010402123_100009817443 [0,2,0,0,0,0|2,0,0]=4 10250 B17R0.1620 O=C(O)CNCCCCCCCCCC(F)(F)F 269956a_100016091260_200041927475 [0,2,0,0,0,0|2,0,0]=4 10251 B17R0.9661 CCCCCC(C)CCC(=O)CCCCC(=O)C 1458a_100000034243_100000735457 [0,2,0,0,0,0|1,0,1]=4 10252 B17R0.1020 CCCCCCCCC(C)CN(C)CCC(=O)N 270004a_100000730477_100011995885 [0,2,0,0,0,0|2,0,0]=4 10253 B17R0.8436 CCCCCCCCC(CC)OCCCC(=O)C 34a_200011216270_100000685027 [0,2,0,0,0,0|2,0,0]=4 10254 B17R0.8436 CCCCCCCCC(CC)OCCCC(=O)C 7a_200011216270_100011215641 [0,2,0,0,0,0|2,0,0]=4 10255 B17R0.8436 CCCCCCCCC(CC)OCCCC(=O)N 34a_200011216270_100102525003 [0,2,0,0,0,0|2,0,0]=4 10256 B17R0.8436 CCCCCCCCC(CC)OCCCC(=O)N 7a_200011216270_100102525003 [0,2,0,0,0,0|2,0,0]=4 10257 B17R0.13611 CCCCCCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210320 [0,2,0,0,0,0|2,0,0]=4 10258 B15R1.35 C=CCCCCCCNC1CCCCC1 2230a_100000182618_100011215473 [1,0,0,1,0,0|2,0,0]=4 10259 B15R1.35 C=CCCCCCCNC1CCCCC1 34a_100000182618_100011215473 [1,0,0,1,0,0|2,0,0]=4 10260 B15R1.35 C=CCCCCCCOC1CCCCC1 34a_100000210231_100011215473 [1,0,0,1,0,0|2,0,0]=4 10261 B15R1.35 C=CCCCCCCOC1CCCCC1 34a_200011216477_100000210327 [1,0,0,1,0,0|2,0,0]=4 10262 B15R1.35 C=CCCCCCCOC1CCCCC1 7a_100000210231_100011215473 [1,0,0,1,0,0|2,0,0]=4 10263 B15R1.35 C=CCCCCCCOC1CCCCC1 7a_200011216477_100000210327 [1,0,0,1,0,0|2,0,0]=4 10264 B15R1.35 C=CCCCCCNCC1CCCCC1 2230a_100000210473_100000700193 [1,0,0,1,0,0|2,0,0]=4 10265 B15R1.35 C=CCCCCCNCC1CCCCC1 34a_100000210473_100000700193 [1,0,0,1,0,0|2,0,0]=4 10266 B15R1.35 C=CCCCCCOCC1CCCCC1 34a_100000212181_100000700193 [1,0,0,1,0,0|2,0,0]=4 10267 B15R1.35 C=CCCCCCOCC1CCCCC1 34a_100011216702_100000211423 [1,0,0,1,0,0|2,0,0]=4 10268 B15R1.35 C=CCCCCCOCC1CCCCC1 7a_100000212181_100000700193 [1,0,0,1,0,0|2,0,0]=4 10269 B15R1.35 C=CCCCCCOCC1CCCCC1 7a_100011216702_100000211423 [1,0,0,1,0,0|2,0,0]=4 10270 B15R1.35 C=CCCCCNCCC1CCCCC1 2230a_100000703577_100012355289 [1,0,0,1,0,0|2,0,0]=4 10271 B15R1.35 C=CCCCCNCCC1CCCCC1 2230a_100000738074_100011215482 [1,0,0,1,0,0|2,0,0]=4 10272 B15R1.35 C=CCCCCNCCC1CCCCC1 270004a_100000703577_100011713444 [1,0,0,1,0,0|2,0,0]=4 10273 B15R1.35 C=CCCCCNCCC1CCCCC1 34a_100000703577_100011209188 [1,0,0,1,0,0|2,0,0]=4 10274 B15R1.35 C=CCCCCNCCC1CCCCC1 34a_100000738074_100011215482 [1,0,0,1,0,0|2,0,0]=4 10275 B15R1.35 C=CCCCCOCCC1CCCCC1 34a_100000766645_100011209188 [1,0,0,1,0,0|2,0,0]=4 10276 B15R1.35 C=CCCCCOCCC1CCCCC1 34a_100011217863_100011215482 [1,0,0,1,0,0|2,0,0]=4 10277 B15R1.35 C=CCCCCOCCC1CCCCC1 7a_100000766645_100011273959 [1,0,0,1,0,0|2,0,0]=4 10278 B15R1.35 C=CCCCCOCCC1CCCCC1 7a_100011217863_100011215482 [1,0,0,1,0,0|2,0,0]=4 10279 B15R1.35 C=CCCCNCCCC1CCCCC1 2230a_100000700776_100011713725 [1,0,0,1,0,0|2,0,0]=4 10280 B15R1.35 C=CCCCNCCCC1CCCCC1 2230a_100011211642_100011713584 [1,0,0,1,0,0|2,0,0]=4 10281 B15R1.35 C=CCCCNCCCC1CCCCC1 34a_100000700776_100011713725 [1,0,0,1,0,0|2,0,0]=4 10282 B15R1.35 C=CCCCNCCCC1CCCCC1 34a_100011211642_100000757094 [1,0,0,1,0,0|2,0,0]=4 10283 B15R1.35 C=CCCCOCCCC1CCCCC1 34a_100000198086_100000757094 [1,0,0,1,0,0|2,0,0]=4 10284 B15R1.35 C=CCCCOCCCC1CCCCC1 34a_100000758997_100011713725 [1,0,0,1,0,0|2,0,0]=4 10285 B15R1.35 C=CCCCOCCCC1CCCCC1 7a_100000198086_100000757094 [1,0,0,1,0,0|2,0,0]=4 10286 B15R1.35 C=CCCCOCCCC1CCCCC1 7a_100000758997_100011713725 [1,0,0,1,0,0|2,0,0]=4 10287 B15R1.35 C=CCCOCCCCC1CCCCC1 34a_100011215267_100000754431 [1,0,0,1,0,0|2,0,0]=4 10288 B15R1.35 C=CCCOCCCCC1CCCCC1 7a_100011215267_100000754431 [1,0,0,1,0,0|2,0,0]=4 10289 B15R1.35 CCCCCCCCNC1C=CCCC1 2230a_100000229939_100000751183 [1,0,0,1,0,0|2,0,0]=4 10290 B15R1.35 CCCCCCCCOC1C=CCCC1 34a_100011215024_100000210759 [1,0,0,1,0,0|2,0,0]=4 10291 B15R1.35 CCCCCCCCOC1C=CCCC1 7a_100000210232_100000751183 [1,0,0,1,0,0|2,0,0]=4 10292 B15R1.35 CCCCCCCCOC1CCCCO1 34a_100000033831_100000210759 [1,0,0,1,0,0|1,0,1]=4 10293 B15R1.35 CCCCCCCNCC1CCCCO1 2230a_100000174945_100000210681 [1,0,0,1,0,0|1,0,1]=4 10294 B15R1.35 CCCCCCCNCC1CCCCO1 2230a_100000229938_100000211543 [1,0,0,1,0,0|1,0,1]=4 10295 B15R1.35 CCCCCCCNCC1CCCCO1 34a_100000174945_100000210614 [1,0,0,1,0,0|1,0,1]=4 10296 B15R1.35 CCCCCCCOCC1CCC=CO1 34a_100011217868_100000210614 [1,0,0,1,0,0|1,0,1]=4 10297 B15R1.35 CCCCCCCOCC1CCCCO1 34a_100000210272_100000211543 [1,0,0,1,0,0|1,0,1]=4 10298 B15R1.35 CCCCCCCOCC1CCCCO1 34a_100000211370_100000210614 [1,0,0,1,0,0|1,0,1]=4 10299 B15R1.35 CCCCCCCOCC1CCCCO1 7a_100000210272_100000211543 [1,0,0,1,0,0|1,0,1]=4 10300 B15R1.35 CCCCCCCOCC1CCCCO1 7a_100000211370_100000210614 [1,0,0,1,0,0|1,0,1]=4 10301 B15R1.35 CCCCCCCSCC1CCCCO1 62a_100000210614_100000211543 [1,0,0,1,0,0|1,0,1]=4 10302 B15R1.35 CCCCCCCSCC1CCCCO1 62a_100000211543_100000210316 [1,0,0,1,0,0|1,0,1]=4 10303 B15R1.35 CCCCCCNCCC1CCCCO1 2230a_100015183643_100000210314 [1,0,0,1,0,0|1,0,1]=4 10304 B15R1.35 CCCCCCNCCC1CCCCO1 34a_100015183643_100000210314 [1,0,0,1,0,0|1,0,1]=4 10305 B15R1.35 O=CCCCCCNCC1CCCCC1 2230a_100000210473_100000139337 [1,0,0,1,0,0|1,0,0]=3 10306 B15R1.35 O=CCCCCCNCC1CCCCO1 2230a_100000174945_100000139337 [1,0,0,1,0,0|2,0,0]=4 10307 B15R1.35 O=CCCCCCNCC1CCCOC1 2230a_100000720124_100000139337 [1,0,0,1,0,0|2,0,0]=4 10308 B15R1.35 O=CCCCCCNCC1CCOCC1 2230a_100000746373_100000139337 [1,0,0,1,0,0|2,0,0]=4 10309 B15R1.35 O=CCCCCCNCC1CCSCC1 2230a_100015188806_100000139337 [1,0,0,1,0,0|2,0,0]=4 10310 B15R1.35 O=CCCCCCOCC1CCCCC1 7a_100000212181_100000139337 [1,0,0,1,0,0|1,0,0]=3 10311 B15R1.35 O=CCCCCCOCC1CCCCO1 7a_100000211370_100000139337 [1,0,0,1,0,0|2,0,0]=4 10312 B15R1.35 O=CCCCCCOCC1CCSCC1 7a_100000070558_100000139337 [1,0,0,1,0,0|2,0,0]=4 10313 B15R1.35 O=CCCCCCSCC1CCCCC1 62a_100000139337_100000211423 [1,0,0,1,0,0|1,0,0]=3 10314 B15R1.35 O=CCCCCCSCC1CCCCC1 62a_100000211423_100000139337 [1,0,0,1,0,0|1,0,0]=3 10315 B15R1.35 O=CCCCCCSCC1CCCCO1 62a_100000139337_100000211543 [1,0,0,1,0,0|2,0,0]=4 10316 B15R1.35 O=CCCCCCSCC1CCCCO1 62a_100000211543_100000139337 [1,0,0,1,0,0|2,0,0]=4 10317 B15R1.35 O=CCCCCCSCC1CCCOC1 62a_100000139337_100000741521 [1,0,0,1,0,0|2,0,0]=4 10318 B15R1.35 O=CCCCCCSCC1CCCOC1 62a_100000741521_100000139337 [1,0,0,1,0,0|2,0,0]=4 10319 B15R1.35 O=CCCCCCSCC1CCOCC1 62a_100000139337_100000749018 [1,0,0,1,0,0|2,0,0]=4 10320 B15R1.35 O=CCCCCCSCC1CCOCC1 62a_100000754603_100000139337 [1,0,0,1,0,0|2,0,0]=4 10321 B15R1.35 O=CCCCCNCCC1CCCCC1 2230a_100000738074_100000139335 [1,0,0,1,0,0|1,0,0]=3 10322 B15R1.35 O=CCCCCNCCC1CCCCO1 2230a_100015183643_100000139335 [1,0,0,1,0,0|2,0,0]=4 10323 B15R1.35 O=CCCCCNCCC1CCOCC1 2230a_100000755988_100000139335 [1,0,0,1,0,0|2,0,0]=4 10324 B15R1.35 O=CCCCCOCCC1CCCCC1 7a_100011217863_100000139335 [1,0,0,1,0,0|1,0,0]=3 10325 B15R1.35 O=CCCCCOCCC1CCOCC1 7a_100011933979_100000139335 [1,0,0,1,0,0|2,0,0]=4 10326 B15R1.35 O=CCCCCSCCC1CCCCC1 62a_100000139335_100012355289 [1,0,0,1,0,0|1,0,0]=3 10327 B15R1.35 O=CCCCCSCCC1CCCCC1 62a_100012355289_100000139335 [1,0,0,1,0,0|1,0,0]=3 10328 B15R1.35 O=CCCCCSCCC1CCOCC1 62a_100000139335_100011934994 [1,0,0,1,0,0|2,0,0]=4 10329 B15R1.35 O=CCCCCSCCC1CCOCC1 62a_100011934994_100000139335 [1,0,0,1,0,0|2,0,0]=4 10330 B15R1.35 O=CCCCCSCCN1CCCCC1 62a_100000139335_100000739454 [1,0,0,1,0,0|2,0,0]=4 10331 B15R1.35 O=CCCCCSCCN1CCCCC1 62a_100000739454_100000139335 [1,0,0,1,0,0|2,0,0]=4 10332 B15R1.35 O=CCCCCSCOC1CCCCC1 62a_100000139335_100011935260 [1,0,0,1,0,0|2,0,0]=4 10333 B15R1.35 O=CCCCCSCOC1CCCCC1 62a_100011935260_100000139335 [1,0,0,1,0,0|2,0,0]=4 10334 B15R1.35 O=CCCCNCCCC1CCCCC1 2230a_100011211642_200011292268 [1,0,0,1,0,0|1,0,0]=3 10335 B15R1.35 O=CCCCOCCCC1CCCCC1 7a_100000198086_200011292268 [1,0,0,1,0,0|1,0,0]=3 10336 B15R1.35 O=CCCCOCCOC1CCCCC1 7a_100011249652_200011292268 [1,0,0,1,0,0|2,0,0]=4 10337 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_100011713725_200011292268 [1,0,0,1,0,0|1,0,0]=3 10338 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_200011292268_100011713725 [1,0,0,1,0,0|1,0,0]=3 10339 B15R1.35 O=CCCCSCCCN1CCCCC1 62a_100132302099_200011292268 [1,0,0,1,0,0|2,0,0]=4 10340 B15R1.35 O=CCCCSCCCN1CCCCC1 62a_200011292268_100000007876 [1,0,0,1,0,0|2,0,0]=4 10341 B15R1.35 O=CCCCSCCOC1CCCCC1 62a_100011211530_200011292268 [1,0,0,1,0,0|2,0,0]=4 10342 B15R1.35 O=CCCCSCCOC1CCCCC1 62a_200011292268_100011211530 [1,0,0,1,0,0|2,0,0]=4 10343 B15R1.35 O=CCOCCCCCN1CCCCC1 34a_100011216611_200009817547 [1,0,0,1,0,0|2,0,0]=4 10344 B15R1.35 O=CCOCCCCCN1CCCCC1 7a_100011216611_200015260668 [1,0,0,1,0,0|2,0,0]=4 10345 B15R1.35 OCCCCCCCNC1CCCCC1 2230a_100000182618_100000760002 [1,0,0,1,0,0|1,0,1]=4 10346 B15R1.35 OCCCCCCCNC1CCCCC1 270004a_100011996573_100000210434 [1,0,0,1,0,0|1,0,1]=4 10347 B15R1.35 OCCCCCCCNC1CCCCC1 34a_100000182618_100000760002 [1,0,0,1,0,0|1,0,1]=4 10348 B15R1.35 OCCCCCCCNC1CCCCC1 34a_100011996573_100000210327 [1,0,0,1,0,0|1,0,1]=4 10349 B15R1.35 OCCCCCCCOC1CCCCC1 34a_100000210231_100000760002 [1,0,0,1,0,0|1,0,1]=4 10350 B15R1.35 OCCCCCCCOC1CCCCC1 7a_100000210231_100000760002 [1,0,0,1,0,0|1,0,1]=4 10351 B15R1.35 OCCCCCCCSC1CCCCC1 62a_100000210327_100000760002 [1,0,0,1,0,0|1,0,1]=4 10352 B15R1.35 OCCCCCCCSC1CCCCC1 62a_100000760002_100000210327 [1,0,0,1,0,0|1,0,1]=4 10353 B15R1.35 OCCCCCCNCC1CCCCC1 2230a_100000210473_100000766143 [1,0,0,1,0,0|1,0,1]=4 10354 B15R1.35 OCCCCCCNCC1CCCCC1 2230a_100000686447_100000211423 [1,0,0,1,0,0|1,0,1]=4 10355 B15R1.35 OCCCCCCNCC1CCCCC1 269862a_100000686447_100000211278 [1,0,0,1,0,0|1,0,1]=4 10356 B15R1.35 OCCCCCCNCC1CCCCC1 34a_100000210473_100000766143 [1,0,0,1,0,0|1,0,1]=4 10357 B15R1.35 OCCCCCCNCC1CCCCC1 34a_100000686447_100000211423 [1,0,0,1,0,0|1,0,1]=4 10358 B15R1.35 OCCCCCCOCC1CCCCC1 34a_100000212181_100000766143 [1,0,0,1,0,0|1,0,1]=4 10359 B15R1.35 OCCCCCCOCC1CCCCC1 7a_100000212181_100000766143 [1,0,0,1,0,0|1,0,1]=4 10360 B15R1.35 OCCCCCCSCC1CCCCC1 62a_100000211423_100000766143 [1,0,0,1,0,0|1,0,1]=4 10361 B15R1.35 OCCCCCCSCC1CCCCC1 62a_100000766143_100000211423 [1,0,0,1,0,0|1,0,1]=4 10362 B15R1.35 OCCCCCNCCC1CCCCC1 2230a_100000738074_100000746330 [1,0,0,1,0,0|1,0,1]=4 10363 B15R1.35 OCCCCCNCCC1CCCCC1 2230a_100000762737_100012355289 [1,0,0,1,0,0|1,0,1]=4 10364 B15R1.35 OCCCCCNCCC1CCCCC1 270004a_100000762737_100011713444 [1,0,0,1,0,0|1,0,1]=4 10365 B15R1.35 OCCCCCNCCC1CCCCC1 34a_100000738074_100000746330 [1,0,0,1,0,0|1,0,1]=4 10366 B15R1.35 OCCCCCNCCC1CCCCC1 34a_100000762737_100011209188 [1,0,0,1,0,0|1,0,1]=4 10367 B15R1.35 OCCCCCOCCC1CCCCC1 34a_100011217863_100000746330 [1,0,0,1,0,0|1,0,1]=4 10368 B15R1.35 OCCCCCOCCC1CCCCC1 7a_100011217863_100000746330 [1,0,0,1,0,0|1,0,1]=4 10369 B15R1.35 OCCCCCSCCC1CCCCC1 62a_100000746330_100012355289 [1,0,0,1,0,0|1,0,1]=4 10370 B15R1.35 OCCCCCSCCC1CCCCC1 62a_100012355289_100000746330 [1,0,0,1,0,0|1,0,1]=4 10371 B15R1.35 OCCCCNCCCC1CCCCC1 2230a_100000750430_100011713725 [1,0,0,1,0,0|1,0,1]=4 10372 B15R1.35 OCCCCNCCCC1CCCCC1 2230a_100011211642_100000210776 [1,0,0,1,0,0|1,0,1]=4 10373 B15R1.35 OCCCCNCCCC1CCCCC1 34a_100000750430_100011713725 [1,0,0,1,0,0|1,0,1]=4 10374 B15R1.35 OCCCCNCCCC1CCCCC1 34a_100011211642_100011216708 [1,0,0,1,0,0|1,0,1]=4 10375 B15R1.35 OCCCCOCCCC1CCCCC1 34a_100000198086_100011216708 [1,0,0,1,0,0|1,0,1]=4 10376 B15R1.35 OCCCCOCCCC1CCCCC1 7a_100000198086_100000210776 [1,0,0,1,0,0|1,0,1]=4 10377 B15R1.35 OCCCCSCCCC1CCCCC1 62a_100000210776_100011713725 [1,0,0,1,0,0|1,0,1]=4 10378 B15R1.35 OCCCCSCCCC1CCCCC1 62a_100011713725_100000210776 [1,0,0,1,0,0|1,0,1]=4 10379 B15R1.35 OCCCOCCCCC1CCCCC1 34a_100011215267_100000230001 [1,0,0,1,0,0|1,0,1]=4 10380 B15R1.35 OCCCOCCCCC1CCCCC1 7a_100011215267_100011215043 [1,0,0,1,0,0|1,0,1]=4 10381 B15R1.52 CCCCCCNC1CCCCNC1=O 2230a_100000210581_100000735217 [1,0,0,1,0,0|2,0,0]=4 10382 B15R1.52 CCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210314 [1,0,0,1,0,0|2,0,0]=4 10383 B15R1.52 CCCCCCNC1CCCCNC1=O 34a_100000698827_100000210314 [1,0,0,1,0,0|2,0,0]=4 10384 B15R1.52 CCCCCCOC1CCCCCC1=O 7a_100000210259_100000243696 [1,0,0,1,0,0|1,0,0]=3 10385 B15R1.52 CCCCCCOC1CCCCNC1=O 7a_100000210259_100000735217 [1,0,0,1,0,0|2,0,0]=4 10386 B15R1.52 CCCCCCSC1CCCCCC1=O 62a_100000210314_100000243696 [1,0,0,1,0,0|1,0,0]=3 10387 B15R1.52 CCCCCCSC1CCCCCC1=O 62a_100000243696_100000210757 [1,0,0,1,0,0|1,0,0]=3 10388 B15R1.52 CCCCCCSC1CCCCNC1=O 62a_100000210314_100000735217 [1,0,0,1,0,0|2,0,0]=4 10389 B15R1.52 CCCCCCSC1CCCCNC1=O 62a_100000735217_100000210757 [1,0,0,1,0,0|2,0,0]=4 10390 B15R1.52 CCCCOCSC1CCCCCC1=O 62a_100000243696_100011995733 [1,0,0,1,0,0|2,0,0]=4 10391 B15R1.52 CCCCOCSC1CCCCCC1=O 62a_100011995733_100000243696 [1,0,0,1,0,0|2,0,0]=4 10392 B15R1.52 CCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210303 [1,0,0,1,0,0|2,0,0]=4 10393 B15R1.52 CCCNCCCN1CCCCCC1=O 34a_100000195386_100000210303 [1,0,0,1,0,0|2,0,0]=4 10394 B15R1.52 CCCOCCOC1CCCCCC1=O 7a_100000752267_100000243696 [1,0,0,1,0,0|2,0,0]=4 10395 B15R1.52 CCCOCCSC1CCCCCC1=O 62a_100000243696_100011215938 [1,0,0,1,0,0|2,0,0]=4 10396 B15R1.52 CCCOCCSC1CCCCCC1=O 62a_100011215938_100000243696 [1,0,0,1,0,0|2,0,0]=4 10397 B15R1.52 CCCSCCOC1CCCCCC1=O 7a_200000230433_100000243696 [1,0,0,1,0,0|2,0,0]=4 10398 B15R1.52 CCOCCCOC1CCCCCC1=O 7a_100000757476_100000243696 [1,0,0,1,0,0|2,0,0]=4 10399 B15R1.52 CCOCCCSC1CCCCCC1=O 62a_100000243696_100012232248 [1,0,0,1,0,0|2,0,0]=4 10400 B15R1.52 CCOCCCSC1CCCCCC1=O 62a_100012232248_100000243696 [1,0,0,1,0,0|2,0,0]=4 10401 B15R1.52 CCSCCCOC1CCCCCC1=O 7a_100011216438_100000243696 [1,0,0,1,0,0|2,0,0]=4 10402 B15R1.52 COCCCCSC1CCCCCC1=O 62a_100000243696_100000730899 [1,0,0,1,0,0|2,0,0]=4 10403 B15R1.52 COCCCCSC1CCCCCC1=O 62a_100000730899_100000243696 [1,0,0,1,0,0|2,0,0]=4 10404 B15R1.52 CSCCCCOC1CCCCCC1=O 7a_100011217163_100000243696 [1,0,0,1,0,0|2,0,0]=4 10405 B15R1.52 O=C1CCCCCC1OCCCCCBr 7a_100000746331_100000243696 [1,0,0,1,0,0|2,0,0]=4 10406 B15R1.52 O=C1CCCCCC1OCCCCCCl 7a_100000746330_100000243696 [1,0,0,1,0,0|2,0,0]=4 10407 B15R1.52 O=C1CCCCCC1OCCCCCI 7a_200012148887_100000243696 [1,0,0,1,0,0|2,0,0]=4 10408 B15R1.52 O=C1CCCCCC1SCCCCCF 62a_100000243696_100000729378 [1,0,0,1,0,0|2,0,0]=4 10409 B15R1.52 O=C1CCCCCC1SCCCCCF 62a_100000729378_100000243696 [1,0,0,1,0,0|2,0,0]=4 10410 B15R1.52 O=C1CCCCCC1SCCCCCO 62a_100000243696_100000746330 [1,0,0,1,0,0|2,0,0]=4 10411 B15R1.52 O=C1CCCCCC1SCCCCCO 62a_100000746330_100000243696 [1,0,0,1,0,0|2,0,0]=4 10412 B15R1.220 C=CCCCCCCN1CCCCC1C 2230a_100000211376_100011215473 [1,0,0,1,0,0|2,0,0]=4 10413 B15R1.220 C=CCCCCCCN1CCCCC1C 269982a_100000211376_100011215473 [1,0,0,1,0,0|2,0,0]=4 10414 B15R1.220 C=CCCCCCCN1CCCCC1C 34a_100000211376_100011215473 [1,0,0,1,0,0|2,0,0]=4 10415 B15R1.220 C=CCCCCCNC1CCCCC1C 2230a_100000211402_100000700193 [1,0,0,1,0,0|2,0,0]=4 10416 B15R1.220 C=CCCCCCNC1CCCCC1C 34a_100000211402_100000700193 [1,0,0,1,0,0|2,0,0]=4 10417 B15R1.220 C=CCCCCCOC1CCCCC1C 34a_100000211207_100000700193 [1,0,0,1,0,0|2,0,0]=4 10418 B15R1.220 C=CCCCCCOC1CCCCC1C 7a_100000211207_100000700193 [1,0,0,1,0,0|2,0,0]=4 10419 B15R1.220 CC1CCCCC1NCCCCCC=O 2230a_100000211402_100000139337 [1,0,0,1,0,0|1,0,0]=3 10420 B15R1.220 CC1CCCCC1NCCCCCCO 2230a_100000211402_100000766143 [1,0,0,1,0,0|1,0,1]=4 10421 B15R1.220 CC1CCCCC1NCCCCCCO 269862a_100000686447_100000210921 [1,0,0,1,0,0|1,0,1]=4 10422 B15R1.220 CC1CCCCC1NCCCCCCO 270004a_100000686447_100000210921 [1,0,0,1,0,0|1,0,1]=4 10423 B15R1.220 CC1CCCCC1NCCCCCCO 34a_100000211402_100000766143 [1,0,0,1,0,0|1,0,1]=4 10424 B15R1.220 CC1CCCCC1OCCCCCC=O 7a_100000211207_100000139337 [1,0,0,1,0,0|1,0,0]=3 10425 B15R1.220 CC1CCCCC1OCCCCCCO 34a_100000211207_100000766143 [1,0,0,1,0,0|1,0,1]=4 10426 B15R1.220 CC1CCCCC1OCCCCCCO 7a_100000211207_100000766143 [1,0,0,1,0,0|1,0,1]=4 10427 B15R1.220 CC1CCCCN1CCCCCCCO 2230a_100000211376_100000760002 [1,0,0,1,0,0|1,0,1]=4 10428 B15R1.220 CC1CCCCN1CCCCCCCO 269982a_100000211376_100000760002 [1,0,0,1,0,0|1,0,1]=4 10429 B15R1.220 CC1CCCCN1CCCCCCCO 34a_100000211376_100000760002 [1,0,0,1,0,0|1,0,1]=4 10430 B15R1.220 CC1CCCCN1CCNCCCC=O 2230a_100000739827_200011292268 [1,0,0,1,0,0|2,0,0]=4 10431 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000229938_100000687798 [1,0,0,1,0,0|2,0,0]=4 10432 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210681 [1,0,0,1,0,0|2,0,0]=4 10433 B15R1.220 CCCCCCCNC1CCCNC1=O 34a_100000747585_100000210614 [1,0,0,1,0,0|2,0,0]=4 10434 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100000210272_100000754470 [1,0,0,1,0,0|1,0,0]=3 10435 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100011214950_100000210614 [1,0,0,1,0,0|1,0,0]=3 10436 B15R1.220 CCCCCCCOC1CCCCC1=O 7a_100000210272_100000204591 [1,0,0,1,0,0|1,0,0]=3 10437 B15R1.220 CCCCCCCOC1CCCCC1O 34a_100000210272_100000038908 [1,0,0,1,0,0|1,0,1]=4 10438 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000073722_100000210614 [1,0,0,1,0,0|2,0,0]=4 10439 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000210272_100000687798 [1,0,0,1,0,0|2,0,0]=4 10440 B15R1.220 CCCCCCCOC1CCCNC1=O 7a_100000210272_100000687798 [1,0,0,1,0,0|2,0,0]=4 10441 B15R1.220 CCCCCCCOC1COCCC1=O 34a_100000210272_100012180262 [1,0,0,1,0,0|2,0,0]=4 10442 B15R1.220 CCCCCCCOC1COCCC1=O 7a_100000210272_100012180262 [1,0,0,1,0,0|2,0,0]=4 10443 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000204591_100000210316 [1,0,0,1,0,0|1,0,0]=3 10444 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000210614_100000204591 [1,0,0,1,0,0|1,0,0]=3 10445 B15R1.220 CCCCCCCSC1CCCCC1O 62a_100000038908_100000210316 [1,0,0,1,0,0|1,0,1]=4 10446 B15R1.220 CCCCCCCSC1CCCCC1O 62a_100000210614_100000038908 [1,0,0,1,0,0|1,0,1]=4 10447 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000210614_100000687798 [1,0,0,1,0,0|2,0,0]=4 10448 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000687798_100000210316 [1,0,0,1,0,0|2,0,0]=4 10449 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100000210614_100012180262 [1,0,0,1,0,0|2,0,0]=4 10450 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100012180262_100000210316 [1,0,0,1,0,0|2,0,0]=4 10451 B15R1.220 CCCCCCNCC1CCCCC1O 34a_100011216029_100000210314 [1,0,0,1,0,0|1,0,1]=4 10452 B15R1.220 CCCCCCOCC1CCCCC1=O 34a_100009861125_100000210314 [1,0,0,1,0,0|1,0,0]=3 10453 B15R1.220 CCCCCCOCC1CCCCC1=O 7a_100009861125_100000210314 [1,0,0,1,0,0|1,0,0]=3 10454 B15R1.220 CCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210326 [1,0,0,1,0,0|2,0,0]=4 10455 B15R1.220 CCCCCNCCN1CCCCC1=O 34a_100160573077_100000718602 [1,0,0,1,0,0|2,0,0]=4 10456 B15R1.220 CCCCOCCOC1CCCCC1=O 34a_100000210238_100000754470 [1,0,0,1,0,0|2,0,0]=4 10457 B15R1.220 CCCCOCCOC1CCCCC1=O 34a_100011214950_100000743108 [1,0,0,1,0,0|2,0,0]=4 10458 B15R1.220 CCCCOCCOC1CCCCC1=O 7a_100000210238_100000204591 [1,0,0,1,0,0|2,0,0]=4 10459 B15R1.220 CCCCOCCSC1CCCCC1=O 62a_100000204591_100000743108 [1,0,0,1,0,0|2,0,0]=4 10460 B15R1.220 CCCCOCCSC1CCCCC1=O 62a_100000743108_100000204591 [1,0,0,1,0,0|2,0,0]=4 10461 B15R1.220 CCCCOCOCC1CCCCC1=O 34a_100009861125_100011995733 [1,0,0,1,0,0|2,0,0]=4 10462 B15R1.220 CCCCSCCOC1CCCCC1=O 34a_200000230436_100000754470 [1,0,0,1,0,0|2,0,0]=4 10463 B15R1.220 CCCCSCCOC1CCCCC1=O 7a_200000230436_100000204591 [1,0,0,1,0,0|2,0,0]=4 10464 B15R1.220 CCCOCCCNC1CCCCC1=O 34a_100011217757_100000754470 [1,0,0,1,0,0|2,0,0]=4 10465 B15R1.220 CCCOCCOCC1CCCCC1=O 34a_100009861125_100011215938 [1,0,0,1,0,0|2,0,0]=4 10466 B15R1.220 CCCOCCOCC1CCCCC1=O 7a_100009861125_100011215938 [1,0,0,1,0,0|2,0,0]=4 10467 B15R1.220 CCOCCCOCC1CCCCC1=O 34a_100009861125_100012232248 [1,0,0,1,0,0|2,0,0]=4 10468 B15R1.220 CCOCCCOCC1CCCCC1=O 7a_100009861125_100012232248 [1,0,0,1,0,0|2,0,0]=4 10469 B15R1.220 CN1CCCCC1CCSCCCC=O 62a_100000211948_200011292268 [1,0,0,1,0,0|2,0,0]=4 10470 B15R1.220 CN1CCCCC1CCSCCCC=O 62a_200011292268_100000211948 [1,0,0,1,0,0|2,0,0]=4 10471 B15R1.220 CN1CCCCC1CSCCCCC=O 62a_100000139335_100015185383 [1,0,0,1,0,0|2,0,0]=4 10472 B15R1.220 CN1CCCCC1CSCCCCC=O 62a_100015185383_100000139335 [1,0,0,1,0,0|2,0,0]=4 10473 B15R1.220 CNCCCCCOC1CCCCC1=O 34a_100000722520_100000754470 [1,0,0,1,0,0|2,0,0]=4 10474 B15R1.220 COCCCCCNC1CCCCC1=O 34a_100000747528_100000754470 [1,0,0,1,0,0|2,0,0]=4 10475 B15R1.220 COCCCCOCC1CCCCC1=O 34a_100009861125_100000755781 [1,0,0,1,0,0|2,0,0]=4 10476 B15R1.220 COCCCCOCC1CCCCC1=O 7a_100009861125_100000730899 [1,0,0,1,0,0|2,0,0]=4 10477 B15R1.220 NCCCCCCOC1CCCCC1=O 34a_100000686447_100000754470 [1,0,0,1,0,0|2,0,0]=4 10478 B15R1.220 O=C1CCCCC1COCCCCCF 34a_100009861125_100000729378 [1,0,0,1,0,0|2,0,0]=4 10479 B15R1.220 O=C1CCCCC1COCCCCCF 7a_100009861125_100000729378 [1,0,0,1,0,0|2,0,0]=4 10480 B15R1.220 O=C1CCCCC1COCCCCCO 34a_100009861125_100000746330 [1,0,0,1,0,0|2,0,0]=4 10481 B15R1.220 O=C1CCCCC1COCCCCCO 7a_100009861125_100000746330 [1,0,0,1,0,0|2,0,0]=4 10482 B15R1.220 O=C1CCCCC1NCCCCCCO 34a_100000686447_100000754470 [1,0,0,1,0,0|2,0,0]=4 10483 B15R1.220 O=C1CCCCC1OCCCCCCBr 34a_100011215345_100000754470 [1,0,0,1,0,0|2,0,0]=4 10484 B15R1.220 O=C1CCCCC1OCCCCCCBr 7a_100011215345_100000204591 [1,0,0,1,0,0|2,0,0]=4 10485 B15R1.220 O=C1CCCCC1OCCCCCCCl 34a_100000766143_100000754470 [1,0,0,1,0,0|2,0,0]=4 10486 B15R1.220 O=C1CCCCC1OCCCCCCCl 7a_100000766143_100000204591 [1,0,0,1,0,0|2,0,0]=4 10487 B15R1.220 O=C1CCCCC1OCCCCCCF 34a_100000732779_100000754470 [1,0,0,1,0,0|2,0,0]=4 10488 B15R1.220 O=C1CCCCC1OCCCCCCF 34a_100011214950_100015922095 [1,0,0,1,0,0|2,0,0]=4 10489 B15R1.220 O=C1CCCCC1OCCCCCCF 7a_100000732779_100000204591 [1,0,0,1,0,0|2,0,0]=4 10490 B15R1.220 O=C1CCCCC1OCCCCCCO 34a_100011214950_100000766143 [1,0,0,1,0,0|2,0,0]=4 10491 B15R1.220 O=C1CCCCC1SCCCCCCF 62a_100000204591_100015922095 [1,0,0,1,0,0|2,0,0]=4 10492 B15R1.220 O=C1CCCCC1SCCCCCCF 62a_100015922095_100000204591 [1,0,0,1,0,0|2,0,0]=4 10493 B15R1.220 O=C1CCCCC1SCCCCCCO 62a_100000204591_100000766143 [1,0,0,1,0,0|2,0,0]=4 10494 B15R1.220 O=C1CCCCC1SCCCCCCO 62a_100000766143_100000204591 [1,0,0,1,0,0|2,0,0]=4 10495 B15R1.220 O=CCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139337 [1,0,0,1,0,0|2,0,0]=4 10496 B15R1.220 O=CCCCCCOC1CCCCC1Cl 7a_100000038908_100000139337 [1,0,0,1,0,0|2,0,0]=4 10497 B15R1.220 O=CCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139337 [1,0,0,1,0,0|2,0,0]=4 10498 B15R1.220 O=CCCCCCSC1CCCCC1F 62a_100000139337_100015423560 [1,0,0,1,0,0|2,0,0]=4 10499 B15R1.220 O=CCCCCCSC1CCCCC1F 62a_100015423560_100000139337 [1,0,0,1,0,0|2,0,0]=4 10500 B15R1.220 O=CCCCCCSC1CCCCC1O 62a_100000038908_100000139337 [1,0,0,1,0,0|2,0,0]=4 10501 B15R1.220 O=CCCCCCSC1CCCCC1O 62a_100000139337_100000038908 [1,0,0,1,0,0|2,0,0]=4 10502 B15R1.228 C=CCCCCCCCOCC1CC1C 34a_100000744939_100012355270 [1,0,0,1,0,0|2,0,0]=4 10503 B15R1.228 C=CCCCCCCCOCC1CC1C 7a_100000744939_100012355270 [1,0,0,1,0,0|2,0,0]=4 10504 B15R1.228 CC1CC1COCCCCCCCCO 34a_100000744939_100000033203 [1,0,0,1,0,0|1,0,1]=4 10505 B15R1.228 CC1CC1COCCCCCCCCO 7a_100000744939_100000033203 [1,0,0,1,0,0|1,0,1]=4 10506 B15R1.229 C=CCCCCCCCCCN1CCC1 269982a_100000754969_100009814027 [1,0,0,1,0,0|2,0,0]=4 10507 B15R1.229 C=CCCCCCCCCNC1CCC1 2230a_100000749019_100011933949 [1,0,0,1,0,0|2,0,0]=4 10508 B15R1.229 C=CCCCCCCCCNC1CCC1 34a_100000749019_100011933949 [1,0,0,1,0,0|2,0,0]=4 10509 B15R1.229 C=CCCCCCCCCOC1CCC1 34a_100000748187_100011933949 [1,0,0,1,0,0|2,0,0]=4 10510 B15R1.229 C=CCCCCCCCCOC1CCC1 34a_100011215194_100000749161 [1,0,0,1,0,0|2,0,0]=4 10511 B15R1.229 C=CCCCCCCCNCC1CCC1 2230a_100000738700_100012355270 [1,0,0,1,0,0|2,0,0]=4 10512 B15R1.229 C=CCCCCCCCNCC1CCC1 34a_100000738700_100012355270 [1,0,0,1,0,0|2,0,0]=4 10513 B15R1.229 C=CCCCCCCCOCC1CCC1 34a_100000730831_100000763275 [1,0,0,1,0,0|2,0,0]=4 10514 B15R1.229 C=CCCCCCCCOCC1CCC1 34a_100000760304_100012355270 [1,0,0,1,0,0|2,0,0]=4 10515 B15R1.229 C=CCCCCCCCOCC1CCC1 7a_100000730831_100000763275 [1,0,0,1,0,0|2,0,0]=4 10516 B15R1.229 CCCCCCCCCNCC1CCO1 2230a_100000212291_100000103362 [1,0,0,1,0,0|1,0,1]=4 10517 B15R1.229 CCCCCCCCCNCC1CCO1 34a_100000212291_100000103362 [1,0,0,1,0,0|1,0,1]=4 10518 B15R1.229 CCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011214924 [1,0,0,1,0,0|1,0,1]=4 10519 B15R1.229 CCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011214924 [1,0,0,1,0,0|1,0,1]=4 10520 B15R1.229 CCCCCCCCCOCC1CCO1 34a_100000039022_100011214924 [1,0,0,1,0,0|1,0,1]=4 10521 B15R1.229 CCCCCCCCCOCC1CCO1 34a_100000210712_100000103362 [1,0,0,1,0,0|1,0,1]=4 10522 B15R1.229 CCCCCCCCCOCC1CCO1 7a_100000210712_100000103362 [1,0,0,1,0,0|1,0,1]=4 10523 B15R1.229 CCCCCCCCCSCC1CCO1 62a_100000103362_100000210670 [1,0,0,1,0,0|1,0,1]=4 10524 B15R1.229 OCCCCCCCCCCN1CCC1 269982a_100000754969_100009813290 [1,0,0,1,0,0|1,0,1]=4 10525 B15R1.229 OCCCCCCCCCNC1CCC1 2230a_100000749019_100009813782 [1,0,0,1,0,0|1,0,1]=4 10526 B15R1.229 OCCCCCCCCCNC1CCC1 270004a_100000078944_100000241760 [1,0,0,1,0,0|1,0,1]=4 10527 B15R1.229 OCCCCCCCCCNC1CCC1 34a_100000078944_100000749161 [1,0,0,1,0,0|1,0,1]=4 10528 B15R1.229 OCCCCCCCCCNC1CCC1 34a_100000749019_100009813782 [1,0,0,1,0,0|1,0,1]=4 10529 B15R1.229 OCCCCCCCCCOC1CCC1 34a_100000748187_100009813782 [1,0,0,1,0,0|1,0,1]=4 10530 B15R1.229 OCCCCCCCCCSC1CCC1 62a_100009813782_100000749161 [1,0,0,1,0,0|1,0,1]=4 10531 B15R1.229 OCCCCCCCCNCC1CCC1 2230a_100000738700_100000033203 [1,0,0,1,0,0|1,0,1]=4 10532 B15R1.229 OCCCCCCCCNCC1CCC1 2230a_102515433106_100000763275 [1,0,0,1,0,0|1,0,1]=4 10533 B15R1.229 OCCCCCCCCNCC1CCC1 269862a_102515433106_100000753134 [1,0,0,1,0,0|1,0,1]=4 10534 B15R1.229 OCCCCCCCCNCC1CCC1 34a_100000738700_100000033203 [1,0,0,1,0,0|1,0,1]=4 10535 B15R1.229 OCCCCCCCCNCC1CCC1 34a_102515433106_100000763275 [1,0,0,1,0,0|1,0,1]=4 10536 B15R1.229 OCCCCCCCCOCC1CCC1 34a_100000760304_100000033203 [1,0,0,1,0,0|1,0,1]=4 10537 B15R1.229 OCCCCCCCCSCC1CCC1 62a_100000033203_100000763275 [1,0,0,1,0,0|1,0,1]=4 10538 B15R1.229 OCCCCCCCCSCC1CCC1 62a_100000763275_100000033203 [1,0,0,1,0,0|1,0,1]=4 10539 B15R1.242 C=CCC1CCCCC1NCCCCC 269862a_100000209983_100011214939 [1,0,0,1,0,0|2,0,0]=4 10540 B15R1.242 C=CCC1CCCCC1NCCCCC 270004a_100000209983_100011214939 [1,0,0,1,0,0|2,0,0]=4 10541 B15R1.242 C=CCCCCN1CCCCC1CCC 2230a_100000701414_100011215482 [1,0,0,1,0,0|2,0,0]=4 10542 B15R1.242 C=CCCCCN1CCCCC1CCC 269982a_100000701414_100011215482 [1,0,0,1,0,0|2,0,0]=4 10543 B15R1.242 C=CCCCCN1CCCCC1CCC 34a_100000701414_100011215482 [1,0,0,1,0,0|2,0,0]=4 10544 B15R1.242 C=CCCCNC1CCCCC1CCC 269862a_100000700776_100011218038 [1,0,0,1,0,0|2,0,0]=4 10545 B15R1.242 C=CCCCNC1CCCCC1CCC 270004a_100000700776_100011218038 [1,0,0,1,0,0|2,0,0]=4 10546 B15R1.242 C=CCCCOC1CCCCC1CCC 34a_100011217265_100000757094 [1,0,0,1,0,0|2,0,0]=4 10547 B15R1.242 C=CCCCOC1CCCCC1CCC 7a_100011217265_100000757094 [1,0,0,1,0,0|2,0,0]=4 10548 B15R1.242 CCCC1CCCCC1NCCCCO 269862a_100000750430_100011218038 [1,0,0,1,0,0|1,0,1]=4 10549 B15R1.242 CCCC1CCCCC1NCCCCO 270004a_100000750430_100011218038 [1,0,0,1,0,0|1,0,1]=4 10550 B15R1.242 CCCC1CCCCC1OCCCC=O 7a_100011217265_200011292268 [1,0,0,1,0,0|1,0,0]=3 10551 B15R1.242 CCCC1CCCCC1OCCCCO 34a_100011217265_100011216708 [1,0,0,1,0,0|1,0,1]=4 10552 B15R1.242 CCCC1CCCCC1OCCCCO 7a_100011217265_100000210776 [1,0,0,1,0,0|1,0,1]=4 10553 B15R1.242 CCCC1CCCCN1CCCCC=O 2230a_100000701414_100000139335 [1,0,0,1,0,0|1,0,0]=3 10554 B15R1.242 CCCC1CCCCN1CCCCC=O 269982a_100000701414_100000139335 [1,0,0,1,0,0|1,0,0]=3 10555 B15R1.242 CCCC1CCCCN1CCCCCO 2230a_100000701414_100000746330 [1,0,0,1,0,0|1,0,1]=4 10556 B15R1.242 CCCC1CCCCN1CCCCCO 269982a_100000701414_100000746330 [1,0,0,1,0,0|1,0,1]=4 10557 B15R1.242 CCCC1CCCCN1CCCCCO 34a_100000701414_100000746330 [1,0,0,1,0,0|1,0,1]=4 10558 B15R1.242 CCCC1COCCN1CCCCC=O 2230a_102495339903_100000139335 [1,0,0,1,0,0|2,0,0]=4 10559 B15R1.242 CCCC1COCCN1CCCCC=O 269982a_102495339903_100000139335 [1,0,0,1,0,0|2,0,0]=4 10560 B15R1.242 CCCCCCN1CCCCC1CCO 2230a_100000211664_100000210314 [1,0,0,1,0,0|1,0,1]=4 10561 B15R1.242 CCCCCCN1CCCCC1CCO 269982a_100000211664_100000210757 [1,0,0,1,0,0|1,0,1]=4 10562 B15R1.242 CCCCCCN1CCCCC1CCO 34a_100000211664_100000210314 [1,0,0,1,0,0|1,0,1]=4 10563 B15R1.242 COCC1CCCCN1CCCCC=O 2230a_100015184032_100000139335 [1,0,0,1,0,0|2,0,0]=4 10564 B15R1.242 COCC1CCCCN1CCCCC=O 269982a_100015184032_100000139335 [1,0,0,1,0,0|2,0,0]=4 10565 B15R1.242 O=CCCCCN1CCCCC1CCO 2230a_100000211664_100000139335 [1,0,0,1,0,0|2,0,0]=4 10566 B15R1.242 O=CCCCCN1CCCCC1CCO 269982a_100000211664_100000139335 [1,0,0,1,0,0|2,0,0]=4 10567 B15R1.249 C=CCCCNC1CCCC1CCCC 269862a_100000700776_100000750825 [1,0,0,1,0,0|2,0,0]=4 10568 B15R1.249 C=CCCCNC1CCCC1CCCC 270004a_100000700776_100000750825 [1,0,0,1,0,0|2,0,0]=4 10569 B15R1.249 C=CCNC1CCCC1CCCCCC 270004a_100020586998_100000189428 [1,0,0,1,0,0|2,0,0]=4 10570 B15R1.249 CCCCC1CCCC1NCCCCO 269862a_100000750430_100000750825 [1,0,0,1,0,0|1,0,1]=4 10571 B15R1.249 CCCCC1CCCC1NCCCCO 270004a_100000750430_100000750825 [1,0,0,1,0,0|1,0,1]=4 10572 B15R1.249 CCCCCCC1CCCC1NCCO 269862a_100000210304_100000189428 [1,0,0,1,0,0|1,0,1]=4 10573 B15R1.249 CCCCCCC1CCCC1NCCO 270004a_100000210304_100000189428 [1,0,0,1,0,0|1,0,1]=4 10574 B15R1.528 C=CCCCCCCCCN1CCCC1 2230a_100000188435_100011933949 [1,0,0,1,0,0|2,0,0]=4 10575 B15R1.528 C=CCCCCCCCCN1CCCC1 269982a_100000188435_100011933949 [1,0,0,1,0,0|2,0,0]=4 10576 B15R1.528 C=CCCCCCCCNC1CCCC1 2230a_100000211070_100012355270 [1,0,0,1,0,0|2,0,0]=4 10577 B15R1.528 C=CCCCCCCCNC1CCCC1 34a_100000211070_100012355270 [1,0,0,1,0,0|2,0,0]=4 10578 B15R1.528 C=CCCCCCCCOC1CCCC1 34a_100000210269_100012355270 [1,0,0,1,0,0|2,0,0]=4 10579 B15R1.528 C=CCCCCCCCOC1CCCC1 34a_100000730831_100000179811 [1,0,0,1,0,0|2,0,0]=4 10580 B15R1.528 C=CCCCCCCCOC1CCCC1 7a_100000210269_100012355270 [1,0,0,1,0,0|2,0,0]=4 10581 B15R1.528 C=CCCCCCCCOC1CCCC1 7a_100000730831_100000179811 [1,0,0,1,0,0|2,0,0]=4 10582 B15R1.528 C=CCCCCCCNCC1CCCC1 2230a_100000737975_100011215473 [1,0,0,1,0,0|2,0,0]=4 10583 B15R1.528 C=CCCCCCCNCC1CCCC1 34a_100000737975_100011215473 [1,0,0,1,0,0|2,0,0]=4 10584 B15R1.528 C=CCCCCCCOCC1CCCC1 34a_100000742336_100011215473 [1,0,0,1,0,0|2,0,0]=4 10585 B15R1.528 C=CCCCCCCOCC1CCCC1 34a_200011216477_100000740388 [1,0,0,1,0,0|2,0,0]=4 10586 B15R1.528 C=CCCCCCCOCC1CCCC1 7a_100000742336_100011215473 [1,0,0,1,0,0|2,0,0]=4 10587 B15R1.528 C=CCCCCCCOCC1CCCC1 7a_200011216477_100000740388 [1,0,0,1,0,0|2,0,0]=4 10588 B15R1.528 C=CCCCCCNCCC1CCCC1 2230a_100000739158_100000700193 [1,0,0,1,0,0|2,0,0]=4 10589 B15R1.528 C=CCCCCCNCCC1CCCC1 34a_100000739158_100000700193 [1,0,0,1,0,0|2,0,0]=4 10590 B15R1.528 C=CCCCCCOCCC1CCCC1 34a_100000749090_100000700193 [1,0,0,1,0,0|2,0,0]=4 10591 B15R1.528 C=CCCCCCOCCC1CCCC1 34a_100011216702_100000760354 [1,0,0,1,0,0|2,0,0]=4 10592 B15R1.528 C=CCCCCCOCCC1CCCC1 7a_100000749090_100000700193 [1,0,0,1,0,0|2,0,0]=4 10593 B15R1.528 C=CCCCCCOCCC1CCCC1 7a_100011216702_100000760354 [1,0,0,1,0,0|2,0,0]=4 10594 B15R1.528 C=CCCCCNCCCC1CCCC1 2230a_100000703577_100011713738 [1,0,0,1,0,0|2,0,0]=4 10595 B15R1.528 C=CCCCCNCCCC1CCCC1 2230a_100000736752_100011215482 [1,0,0,1,0,0|2,0,0]=4 10596 B15R1.528 C=CCCCCNCCCC1CCCC1 34a_100000703577_100011713738 [1,0,0,1,0,0|2,0,0]=4 10597 B15R1.528 C=CCCCCNCCCC1CCCC1 34a_100000736752_100011215482 [1,0,0,1,0,0|2,0,0]=4 10598 B15R1.528 C=CCCCCOCCCC1CCCC1 34a_100000766645_100011713738 [1,0,0,1,0,0|2,0,0]=4 10599 B15R1.528 C=CCCCCOCCCC1CCCC1 34a_100011215328_100011215482 [1,0,0,1,0,0|2,0,0]=4 10600 B15R1.528 C=CCCCCOCCCC1CCCC1 7a_100000766645_100011713738 [1,0,0,1,0,0|2,0,0]=4 10601 B15R1.528 C=CCCCCOCCCC1CCCC1 7a_100011215328_100011215482 [1,0,0,1,0,0|2,0,0]=4 10602 B15R1.528 CCCCCCCCCOC1CCCO1 34a_100000085407_100011214924 [1,0,0,1,0,0|1,0,1]=4 10603 B15R1.528 CCCCCCCCNCC1CCCO1 2230a_100000229939_100000203698 [1,0,0,1,0,0|1,0,1]=4 10604 B15R1.528 CCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210759 [1,0,0,1,0,0|1,0,1]=4 10605 B15R1.528 CCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210759 [1,0,0,1,0,0|1,0,1]=4 10606 B15R1.528 CCCCCCCCOCC1CCCO1 34a_100000210270_100000210759 [1,0,0,1,0,0|1,0,1]=4 10607 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210232_100000203698 [1,0,0,1,0,0|1,0,1]=4 10608 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210270_100000210759 [1,0,0,1,0,0|1,0,1]=4 10609 B15R1.528 CCCCCCCCSCC1CCCO1 62a_100000203698_100000210317 [1,0,0,1,0,0|1,0,1]=4 10610 B15R1.528 CCCCCCCCSCC1CCCO1 62a_100000210759_100000203698 [1,0,0,1,0,0|1,0,1]=4 10611 B15R1.528 O=CCCCCCNCCC1CCCC1 2230a_100000739158_100000139337 [1,0,0,1,0,0|1,0,0]=3 10612 B15R1.528 O=CCCCCCOCCC1CCCC1 7a_100000749090_100000139337 [1,0,0,1,0,0|1,0,0]=3 10613 B15R1.528 O=CCCCCCSCCC1CCCC1 62a_100000139337_100000760354 [1,0,0,1,0,0|1,0,0]=3 10614 B15R1.528 O=CCCCCCSCCC1CCCC1 62a_100000760354_100000139337 [1,0,0,1,0,0|1,0,0]=3 10615 B15R1.528 O=CCCCCCSCCN1CCCC1 62a_100000139337_100000004467 [1,0,0,1,0,0|2,0,0]=4 10616 B15R1.528 O=CCCCCCSCCN1CCCC1 62a_100000700749_100000139337 [1,0,0,1,0,0|2,0,0]=4 10617 B15R1.528 O=CCCCCNCCCC1CCCC1 2230a_100000736752_100000139335 [1,0,0,1,0,0|1,0,0]=3 10618 B15R1.528 O=CCCCCOCCCC1CCCC1 7a_100011215328_100000139335 [1,0,0,1,0,0|1,0,0]=3 10619 B15R1.528 O=CCCCCOCCOC1CCCC1 7a_100000738311_100000139335 [1,0,0,1,0,0|2,0,0]=4 10620 B15R1.528 O=CCCCCSCCCC1CCCC1 62a_100000139335_100011713738 [1,0,0,1,0,0|1,0,0]=3 10621 B15R1.528 O=CCCCCSCCCC1CCCC1 62a_100011713738_100000139335 [1,0,0,1,0,0|1,0,0]=3 10622 B15R1.528 O=CCCCCSCCCN1CCCC1 62a_100000139335_100011445909 [1,0,0,1,0,0|2,0,0]=4 10623 B15R1.528 O=CCCCCSCCCN1CCCC1 62a_100016991639_100000139335 [1,0,0,1,0,0|2,0,0]=4 10624 B15R1.528 OCCCCCCCCCN1CCCC1 2230a_100000188435_100009813782 [1,0,0,1,0,0|1,0,1]=4 10625 B15R1.528 OCCCCCCCCCN1CCCC1 269982a_100000188435_100009813782 [1,0,0,1,0,0|1,0,1]=4 10626 B15R1.528 OCCCCCCCCNC1CCCC1 2230a_100000211070_100000033203 [1,0,0,1,0,0|1,0,1]=4 10627 B15R1.528 OCCCCCCCCNC1CCCC1 2230a_102515433106_100000179811 [1,0,0,1,0,0|1,0,1]=4 10628 B15R1.528 OCCCCCCCCNC1CCCC1 270004a_102515433106_100000210133 [1,0,0,1,0,0|1,0,1]=4 10629 B15R1.528 OCCCCCCCCNC1CCCC1 34a_100000211070_100000033203 [1,0,0,1,0,0|1,0,1]=4 10630 B15R1.528 OCCCCCCCCNC1CCCC1 34a_102515433106_100000179811 [1,0,0,1,0,0|1,0,1]=4 10631 B15R1.528 OCCCCCCCCOC1CCCC1 34a_100000210269_100000033203 [1,0,0,1,0,0|1,0,1]=4 10632 B15R1.528 OCCCCCCCCOC1CCCC1 7a_100000210269_100000033203 [1,0,0,1,0,0|1,0,1]=4 10633 B15R1.528 OCCCCCCCCSC1CCCC1 62a_100000033203_100000179811 [1,0,0,1,0,0|1,0,1]=4 10634 B15R1.528 OCCCCCCCCSC1CCCC1 62a_100011217020_100000033203 [1,0,0,1,0,0|1,0,1]=4 10635 B15R1.528 OCCCCCCCNCC1CCCC1 2230a_100000737975_100000760002 [1,0,0,1,0,0|1,0,1]=4 10636 B15R1.528 OCCCCCCCNCC1CCCC1 2230a_100011996573_100000740388 [1,0,0,1,0,0|1,0,1]=4 10637 B15R1.528 OCCCCCCCNCC1CCCC1 269862a_100011996573_100000746403 [1,0,0,1,0,0|1,0,1]=4 10638 B15R1.528 OCCCCCCCNCC1CCCC1 34a_100000737975_100000760002 [1,0,0,1,0,0|1,0,1]=4 10639 B15R1.528 OCCCCCCCNCC1CCCC1 34a_100011996573_100000740388 [1,0,0,1,0,0|1,0,1]=4 10640 B15R1.528 OCCCCCCCOCC1CCCC1 34a_100000742336_100000760002 [1,0,0,1,0,0|1,0,1]=4 10641 B15R1.528 OCCCCCCCOCC1CCCC1 7a_100000742336_100000760002 [1,0,0,1,0,0|1,0,1]=4 10642 B15R1.528 OCCCCCCCSCC1CCCC1 62a_100000740388_100000760002 [1,0,0,1,0,0|1,0,1]=4 10643 B15R1.528 OCCCCCCCSCC1CCCC1 62a_100000760002_100000740388 [1,0,0,1,0,0|1,0,1]=4 10644 B15R1.528 OCCCCCCNCCC1CCCC1 2230a_100000686447_100000760354 [1,0,0,1,0,0|1,0,1]=4 10645 B15R1.528 OCCCCCCNCCC1CCCC1 2230a_100000739158_100000766143 [1,0,0,1,0,0|1,0,1]=4 10646 B15R1.528 OCCCCCCNCCC1CCCC1 34a_100000686447_100000760354 [1,0,0,1,0,0|1,0,1]=4 10647 B15R1.528 OCCCCCCNCCC1CCCC1 34a_100000739158_100000766143 [1,0,0,1,0,0|1,0,1]=4 10648 B15R1.528 OCCCCCCOCCC1CCCC1 34a_100000749090_100000766143 [1,0,0,1,0,0|1,0,1]=4 10649 B15R1.528 OCCCCCCOCCC1CCCC1 7a_100000749090_100000766143 [1,0,0,1,0,0|1,0,1]=4 10650 B15R1.528 OCCCCCCSCCC1CCCC1 62a_100000760354_100000766143 [1,0,0,1,0,0|1,0,1]=4 10651 B15R1.528 OCCCCCCSCCC1CCCC1 62a_100000766143_100000760354 [1,0,0,1,0,0|1,0,1]=4 10652 B15R1.528 OCCCCCNCCCC1CCCC1 2230a_100000736752_100000746330 [1,0,0,1,0,0|1,0,1]=4 10653 B15R1.528 OCCCCCNCCCC1CCCC1 2230a_100000762737_100011713738 [1,0,0,1,0,0|1,0,1]=4 10654 B15R1.528 OCCCCCNCCCC1CCCC1 34a_100000736752_100000746330 [1,0,0,1,0,0|1,0,1]=4 10655 B15R1.528 OCCCCCNCCCC1CCCC1 34a_100000762737_100011713738 [1,0,0,1,0,0|1,0,1]=4 10656 B15R1.528 OCCCCCOCCCC1CCCC1 34a_100011215328_100000746330 [1,0,0,1,0,0|1,0,1]=4 10657 B15R1.528 OCCCCCOCCCC1CCCC1 7a_100011215328_100000746330 [1,0,0,1,0,0|1,0,1]=4 10658 B15R1.528 OCCCCCSCCCC1CCCC1 62a_100000746330_100011713738 [1,0,0,1,0,0|1,0,1]=4 10659 B15R1.528 OCCCCCSCCCC1CCCC1 62a_100011713738_100000746330 [1,0,0,1,0,0|1,0,1]=4 10660 B15R1.553 C=CCCCCCCN1CCCC1CC 2230a_100000754278_100011215473 [1,0,0,1,0,0|2,0,0]=4 10661 B15R1.553 C=CCCCCCCN1CCCC1CC 269982a_100000754278_100011215473 [1,0,0,1,0,0|2,0,0]=4 10662 B15R1.553 C=CCCCCCCN1CCCC1CC 34a_100000754278_100011215473 [1,0,0,1,0,0|2,0,0]=4 10663 B15R1.553 CCC1CCCC1NCCCCCCO 269862a_100000686447_100000749056 [1,0,0,1,0,0|1,0,1]=4 10664 B15R1.553 CCC1CCCC1NCCCCCCO 270004a_100000686447_100000749056 [1,0,0,1,0,0|1,0,1]=4 10665 B15R1.553 CCC1CCCN1CCCCCCCO 2230a_100000754278_100000760002 [1,0,0,1,0,0|1,0,1]=4 10666 B15R1.553 CCC1CCCN1CCCCCCCO 269982a_100000754278_100000760002 [1,0,0,1,0,0|1,0,1]=4 10667 B15R1.553 CCC1CCCN1CCCCCCCO 34a_100000754278_100000760002 [1,0,0,1,0,0|1,0,1]=4 10668 B15R1.553 CCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210759 [1,0,0,1,0,0|1,0,1]=4 10669 B15R1.553 CCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210759 [1,0,0,1,0,0|1,0,1]=4 10670 B15R1.553 CCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210759 [1,0,0,1,0,0|1,0,1]=4 10671 B15R1.553 CCN1CCCC1CNCCCCC=O 2230a_100000211693_100000139335 [1,0,0,1,0,0|2,0,0]=4 10672 B15R1.553 CCN1CCC[C@@H]1COCCCCC=O 7a_100011739246_100000139335 [1,0,0,1,0,0|2,0,0]=4 10673 B15R1.1045 C=CCCCCCN1CCCCC1CC 2230a_100000210034_100000700193 [1,0,0,1,0,0|2,0,0]=4 10674 B15R1.1045 C=CCCCCCN1CCCCC1CC 269982a_100000210034_100000700193 [1,0,0,1,0,0|2,0,0]=4 10675 B15R1.1045 C=CCCCCCN1CCCCC1CC 34a_100000210034_100000700193 [1,0,0,1,0,0|2,0,0]=4 10676 B15R1.1045 C=CCCCCNC1CCCCC1CC 269862a_100000703577_100000757040 [1,0,0,1,0,0|2,0,0]=4 10677 B15R1.1045 C=CCCCCNC1CCCCC1CC 270004a_100000703577_100000757040 [1,0,0,1,0,0|2,0,0]=4 10678 B15R1.1045 C=CCCCCOC1CCCCC1CC 34a_100000210738_100011215482 [1,0,0,1,0,0|2,0,0]=4 10679 B15R1.1045 C=CCCCCOC1CCCCC1CC 7a_100000210738_100011215482 [1,0,0,1,0,0|2,0,0]=4 10680 B15R1.1045 CCC1CCCCC1NCCCCCO 269862a_100000762737_100000757040 [1,0,0,1,0,0|1,0,1]=4 10681 B15R1.1045 CCC1CCCCC1NCCCCCO 270004a_100000762737_100000757040 [1,0,0,1,0,0|1,0,1]=4 10682 B15R1.1045 CCC1CCCCC1OCCCCC=O 7a_100000210738_100000139335 [1,0,0,1,0,0|1,0,0]=3 10683 B15R1.1045 CCC1CCCCC1OCCCCCO 34a_100000210738_100000746330 [1,0,0,1,0,0|1,0,1]=4 10684 B15R1.1045 CCC1CCCCC1OCCCCCO 7a_100000210738_100000746330 [1,0,0,1,0,0|1,0,1]=4 10685 B15R1.1045 CCC1CCCCN1CCCCCC=O 2230a_100000210034_100000139337 [1,0,0,1,0,0|1,0,0]=3 10686 B15R1.1045 CCC1CCCCN1CCCCCC=O 269982a_100000210034_100000139337 [1,0,0,1,0,0|1,0,0]=3 10687 B15R1.1045 CCC1CCCCN1CCCCCCO 2230a_100000210034_100000766143 [1,0,0,1,0,0|1,0,1]=4 10688 B15R1.1045 CCC1CCCCN1CCCCCCO 269982a_100000210034_100000766143 [1,0,0,1,0,0|1,0,1]=4 10689 B15R1.1045 CCC1CCCCN1CCCCCCO 34a_100000210034_100000766143 [1,0,0,1,0,0|1,0,1]=4 10690 B15R1.1045 CCC1CCCCN1CCCNCC=O 34a_100011191702_200009817547 [1,0,0,1,0,0|2,0,0]=4 10691 B15R1.1045 CCCCCCCN1CCCCC1CO 2230a_100000210821_100000210681 [1,0,0,1,0,0|1,0,1]=4 10692 B15R1.1045 CCCCCCCN1CCCCC1CO 269982a_100000210821_100000210681 [1,0,0,1,0,0|1,0,1]=4 10693 B15R1.1045 CCCCCCCN1CCCCC1CO 34a_100000210821_100000210614 [1,0,0,1,0,0|1,0,1]=4 10694 B15R1.1045 CCCCCCNC1CCCCC1CO 270004a_100000210581_100009861125 [1,0,0,1,0,0|1,0,1]=4 10695 B15R1.1045 CCN1CCCCC1CNCCCC=O 2230a_100000754393_200011292268 [1,0,0,1,0,0|2,0,0]=4 10696 B15R1.1045 CCN1CCCCC1COCCCC=O 7a_100000225091_200011292268 [1,0,0,1,0,0|2,0,0]=4 10697 B15R1.1045 CC[C@H]1COCCN1CCCCCC=O 2230a_100016988097_100000139337 [1,0,0,1,0,0|2,0,0]=4 10698 B15R1.1045 CC[C@H]1COCCN1CCCCCC=O 269982a_100016988097_100000139337 [1,0,0,1,0,0|2,0,0]=4 10699 B15R1.1045 CO[C@H]1CCCC[C@@H]1OCCCCC=O 7a_200009815850_100000139335 [1,0,0,1,0,0|2,0,0]=4 10700 B15R1.1045 O=CCCCCCN1CCCCC1CO 2230a_100000210821_100000139337 [1,0,0,1,0,0|2,0,0]=4 10701 B15R1.1045 O=CCCCCCN1CCCCC1CO 269982a_100000210821_100000139337 [1,0,0,1,0,0|2,0,0]=4 10702 B15R1.1137 CNC1CCCCCCCCCCC1=O 2230a_106832991635_200009990614 [1,0,0,1,0,0|1,0,0]=3 10703 B15R1.1137 CNC1CCCCCCCCCCC1=O 34a_100102657272_200009990614 [1,0,0,1,0,0|1,0,0]=3 10704 B15R1.1137 CNC1CCCCCCCCCCC1=O 7a_106832991635_200009990614 [1,0,0,1,0,0|1,0,0]=3 10705 B15R1.1137 COC1CCCCCCCCCCC1=O 34a_100138415774_200009990614 [1,0,0,1,0,0|1,0,0]=3 10706 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200000210301_200009990614 [1,0,0,1,0,0|1,0,0]=3 10707 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200009990614_200000210301 [1,0,0,1,0,0|1,0,0]=3 10708 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200009990614_200025704644 [1,0,0,1,0,0|1,0,0]=3 10709 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200025704644_200009990614 [1,0,0,1,0,0|1,0,0]=3 10710 B15R1.1189 CCCCCN1CCCCC1CCCO 2230a_100011934581_100000210326 [1,0,0,1,0,0|1,0,1]=4 10711 B15R1.1189 CCCCCN1CCCCC1CCCO 269982a_100011934581_100000210215 [1,0,0,1,0,0|1,0,1]=4 10712 B15R1.1189 CCCCCN1CCCCC1CCCO 34a_100011934581_100000718602 [1,0,0,1,0,0|1,0,1]=4 10713 B15R1.1189 COCCC1CCCCN1CCCC=O 2230a_100015186528_200011292268 [1,0,0,1,0,0|2,0,0]=4 10714 B15R1.1189 COCCC1CCCCN1CCCC=O 269982a_100015186528_200011292268 [1,0,0,1,0,0|2,0,0]=4 10715 B15R1.1189 O=CCCCN1CCCCC1CCCO 2230a_100011934581_200011292268 [1,0,0,1,0,0|2,0,0]=4 10716 B15R1.1189 O=CCCCN1CCCCC1CCCO 269982a_100011934581_200011292268 [1,0,0,1,0,0|2,0,0]=4 10717 B15R1.1202 C=CCCNC1CCCC1CCCCC 269862a_100015191253_200000198059 [1,0,0,1,0,0|2,0,0]=4 10718 B15R1.1202 C=CCCNC1CCCC1CCCCC 270004a_100015191253_200000198059 [1,0,0,1,0,0|2,0,0]=4 10719 B15R1.1202 CCCCCC1CCCC1NCCCO 269862a_100000182051_200000198059 [1,0,0,1,0,0|1,0,1]=4 10720 B15R1.1202 CCCCCC1CCCC1NCCCO 270004a_100000182051_200000198059 [1,0,0,1,0,0|1,0,1]=4 10721 B15R1.1948 C=CCCCCNC1CCCC1CCC 269862a_100000703577_100000723119 [1,0,0,1,0,0|2,0,0]=4 10722 B15R1.1948 C=CCCCCNC1CCCC1CCC 270004a_100000703577_100000723119 [1,0,0,1,0,0|2,0,0]=4 10723 B15R1.1948 CCCC1CCCC1NCCCCCO 269862a_100000762737_100000723119 [1,0,0,1,0,0|1,0,1]=4 10724 B15R1.1948 CCCC1CCCC1NCCCCCO 270004a_100000762737_100000723119 [1,0,0,1,0,0|1,0,1]=4 10725 B15R1.1948 CCCN1CCCC1COCCCC=O 7a_200000694710_200011292268 [1,0,0,1,0,0|2,0,0]=4 10726 B15R1.1948 COC[C@@H]1CCCN1CCCCCC=O 2230a_100020646714_100000139337 [1,0,0,1,0,0|2,0,0]=4 10727 B15R1.1948 COC[C@@H]1CCCN1CCCCCC=O 269982a_100020646714_100000139337 [1,0,0,1,0,0|2,0,0]=4 10728 B15R1.1951 C=CCCCCCN1CCCCCCC1 2230a_100000211400_100000700193 [1,0,0,1,0,0|2,0,0]=4 10729 B15R1.1951 C=CCCCCCN1CCCCCCC1 269982a_100000211400_100000700193 [1,0,0,1,0,0|2,0,0]=4 10730 B15R1.1951 C=CCCCCCN1CCCCCCC1 34a_100000211400_100000700193 [1,0,0,1,0,0|2,0,0]=4 10731 B15R1.1951 C=CCCCCNC1CCCCCCC1 2230a_100000211152_100011215482 [1,0,0,1,0,0|2,0,0]=4 10732 B15R1.1951 C=CCCCCNC1CCCCCCC1 270004a_100000703577_100000210524 [1,0,0,1,0,0|2,0,0]=4 10733 B15R1.1951 C=CCCCCNC1CCCCCCC1 34a_100000211152_100011215482 [1,0,0,1,0,0|2,0,0]=4 10734 B15R1.1951 C=CCCCCOC1CCCCCCC1 34a_100000210054_100011215482 [1,0,0,1,0,0|2,0,0]=4 10735 B15R1.1951 C=CCCCCOC1CCCCCCC1 7a_100000210054_100011215482 [1,0,0,1,0,0|2,0,0]=4 10736 B15R1.1951 C=CCCCOCC1CCCCCCC1 34a_100011216312_100000757094 [1,0,0,1,0,0|2,0,0]=4 10737 B15R1.1951 C=CCCCOCC1CCCCCCC1 7a_100011216312_100000757094 [1,0,0,1,0,0|2,0,0]=4 10738 B15R1.1951 C=CCCNCCC1CCCCCCC1 2230a_100011532352_100000754431 [1,0,0,1,0,0|2,0,0]=4 10739 B15R1.1951 C=CCCNCCC1CCCCCCC1 34a_100011532352_100000754431 [1,0,0,1,0,0|2,0,0]=4 10740 B15R1.1951 CCCCCCOC1C=CCCCCC1 34a_100000688657_100000210314 [1,0,0,1,0,0|2,0,0]=4 10741 B15R1.1951 O=CCCCCCN1CCCCCCC1 2230a_100000211400_100000139337 [1,0,0,1,0,0|1,0,0]=3 10742 B15R1.1951 O=CCCCCCN1CCCCCCC1 269982a_100000211400_100000139337 [1,0,0,1,0,0|1,0,0]=3 10743 B15R1.1951 O=CCCCCNC1CCCCCCC1 2230a_100000211152_100000139335 [1,0,0,1,0,0|1,0,0]=3 10744 B15R1.1951 O=CCCCCOC1CCCCCCC1 7a_100000210054_100000139335 [1,0,0,1,0,0|1,0,0]=3 10745 B15R1.1951 O=CCCCOCC1CCCCCCC1 7a_100011216312_200011292268 [1,0,0,1,0,0|1,0,0]=3 10746 B15R1.1951 OCCCCCCN1CCCCCCC1 2230a_100000211400_100000766143 [1,0,0,1,0,0|1,0,1]=4 10747 B15R1.1951 OCCCCCCN1CCCCCCC1 269982a_100000211400_100000766143 [1,0,0,1,0,0|1,0,1]=4 10748 B15R1.1951 OCCCCCCN1CCCCCCC1 34a_100000211400_100000766143 [1,0,0,1,0,0|1,0,1]=4 10749 B15R1.1951 OCCCCCNC1CCCCCCC1 2230a_100000211152_100000746330 [1,0,0,1,0,0|1,0,1]=4 10750 B15R1.1951 OCCCCCNC1CCCCCCC1 270004a_100000762737_100000210524 [1,0,0,1,0,0|1,0,1]=4 10751 B15R1.1951 OCCCCCNC1CCCCCCC1 34a_100000211152_100000746330 [1,0,0,1,0,0|1,0,1]=4 10752 B15R1.1951 OCCCCCOC1CCCCCCC1 34a_100000210054_100000746330 [1,0,0,1,0,0|1,0,1]=4 10753 B15R1.1951 OCCCCCOC1CCCCCCC1 7a_100000210054_100000746330 [1,0,0,1,0,0|1,0,1]=4 10754 B15R1.1951 OCCCCOCC1CCCCCCC1 34a_100011216312_100011216708 [1,0,0,1,0,0|1,0,1]=4 10755 B15R1.1951 OCCCCOCC1CCCCCCC1 7a_100011216312_100000210776 [1,0,0,1,0,0|1,0,1]=4 10756 B15R1.1951 OCCCNCCC1CCCCCCC1 2230a_100011532352_100000230001 [1,0,0,1,0,0|1,0,1]=4 10757 B15R1.1951 OCCCNCCC1CCCCCCC1 34a_100011532352_100000230001 [1,0,0,1,0,0|1,0,1]=4 10758 B15R1.3515 C=CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012355270 [1,0,0,1,0,0|2,0,0]=4 10759 B15R1.3515 C=CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012355270 [1,0,0,1,0,0|2,0,0]=4 10760 B15R1.3515 C=CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100012355270 [1,0,0,1,0,0|2,0,0]=4 10761 B15R1.3515 C=CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100012355270 [1,0,0,1,0,0|2,0,0]=4 10762 B15R1.3515 C=CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100012355270 [1,0,0,1,0,0|2,0,0]=4 10763 B15R1.3515 C=CCCCCCCOC1CCCC1C 34a_100011216460_100011215473 [1,0,0,1,0,0|2,0,0]=4 10764 B15R1.3515 C=CCCCCCCOC1CCCC1C 7a_100011216460_100011215473 [1,0,0,1,0,0|2,0,0]=4 10765 B15R1.3515 CC1CCCC1NCCCCCCCO 269862a_100011996573_100000752053 [1,0,0,1,0,0|1,0,1]=4 10766 B15R1.3515 CC1CCCC1OCCCCCCCO 34a_100011216460_100000760002 [1,0,0,1,0,0|1,0,1]=4 10767 B15R1.3515 CC1CCCC1OCCCCCCCO 7a_100011216460_100000760002 [1,0,0,1,0,0|1,0,1]=4 10768 B15R1.3515 CCCCCCCCNC1CCCC1=O 2230a_100000229939_100000211823 [1,0,0,1,0,0|1,0,0]=3 10769 B15R1.3515 CCCCCCCCNC1CCCC1=O 34a_100000229939_100000709159 [1,0,0,1,0,0|1,0,0]=3 10770 B15R1.3515 CCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210759 [1,0,0,1,0,0|2,0,0]=4 10771 B15R1.3515 CCCCCCCCNC1CCNC1=O 34a_100016995588_100000210759 [1,0,0,1,0,0|2,0,0]=4 10772 B15R1.3515 CCCCCCCCNC1CCOC1=O 2230a_100000229939_100000211211 [1,0,0,1,0,0|2,0,0]=4 10773 B15R1.3515 CCCCCCCCNC1CCOC1=O 34a_100000229939_100000211211 [1,0,0,1,0,0|2,0,0]=4 10774 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_100000210232_100000709159 [1,0,0,1,0,0|1,0,0]=3 10775 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_200000719330_100000210759 [1,0,0,1,0,0|1,0,0]=3 10776 B15R1.3515 CCCCCCCCOC1CCCC1=O 7a_100000210232_100000211823 [1,0,0,1,0,0|1,0,0]=3 10777 B15R1.3515 CCCCCCCCOC1CCOC1=O 34a_100000210232_100000211211 [1,0,0,1,0,0|2,0,0]=4 10778 B15R1.3515 CCCCCCCCOC1CCOC1=O 7a_100000210232_100000211211 [1,0,0,1,0,0|2,0,0]=4 10779 B15R1.3515 CCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210759 [1,0,0,1,0,0|2,0,0]=4 10780 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000210759_100000211823 [1,0,0,1,0,0|1,0,0]=3 10781 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000211823_100000210317 [1,0,0,1,0,0|1,0,0]=3 10782 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000210759_100000211211 [1,0,0,1,0,0|2,0,0]=4 10783 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000211211_100000210317 [1,0,0,1,0,0|2,0,0]=4 10784 B15R1.3515 CCCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210759_200016002552 [1,0,0,1,0,0|1,0,1]=4 10785 B15R1.3515 CCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210317 [1,0,0,1,0,0|1,0,1]=4 10786 B15R1.3515 CCCCCCCOCC1CCNC1=O 34a_100000133458_100000210614 [1,0,0,1,0,0|2,0,0]=4 10787 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000026320_100000210316 [1,0,0,1,0,0|2,0,0]=4 10788 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000210614_100000026320 [1,0,0,1,0,0|2,0,0]=4 10789 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100000210581_100000739059 [1,0,0,1,0,0|2,0,0]=4 10790 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210314 [1,0,0,1,0,0|2,0,0]=4 10791 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000210259_100000739059 [1,0,0,1,0,0|2,0,0]=4 10792 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000211209_100000210314 [1,0,0,1,0,0|2,0,0]=4 10793 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000210259_100000739059 [1,0,0,1,0,0|2,0,0]=4 10794 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000211209_100000210314 [1,0,0,1,0,0|2,0,0]=4 10795 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000210314_100000739059 [1,0,0,1,0,0|2,0,0]=4 10796 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000739059_100000210757 [1,0,0,1,0,0|2,0,0]=4 10797 B15R1.3515 CCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210326 [1,0,0,1,0,0|2,0,0]=4 10798 B15R1.3515 CCCCCNCCCN1CCCC1=O 34a_100000210347_100000718602 [1,0,0,1,0,0|2,0,0]=4 10799 B15R1.3515 CCCCCNCCOC1CCCC1=O 34a_100000224656_100000709159 [1,0,0,1,0,0|2,0,0]=4 10800 B15R1.3515 CCCCCOCCCN1CCCC1=O 34a_100011216539_100000718602 [1,0,0,1,0,0|2,0,0]=4 10801 B15R1.3515 CCCCCOCCCN1CCCC1=O 7a_100011216539_100000210326 [1,0,0,1,0,0|2,0,0]=4 10802 B15R1.3515 CCCCCOCCOC1CCCC1=O 34a_100011215259_100000709159 [1,0,0,1,0,0|2,0,0]=4 10803 B15R1.3515 CCCCCOCCOC1CCCC1=O 7a_100011215259_100000211823 [1,0,0,1,0,0|2,0,0]=4 10804 B15R1.3515 CCCCOCCCNC1CCCC1=O 2230a_200000211371_100000211823 [1,0,0,1,0,0|2,0,0]=4 10805 B15R1.3515 CCCCOCCCNC1CCCC1=O 34a_200000211371_100000709159 [1,0,0,1,0,0|2,0,0]=4 10806 B15R1.3515 CCCCOCCCOC1CCCC1=O 34a_200011215613_100000709159 [1,0,0,1,0,0|2,0,0]=4 10807 B15R1.3515 CCCCOCCCOC1CCCC1=O 7a_200011215613_100000211823 [1,0,0,1,0,0|2,0,0]=4 10808 B15R1.3515 CN1CCCC1CCOCCCCC=O 7a_100011215177_100000139335 [1,0,0,1,0,0|2,0,0]=4 10809 B15R1.3515 CN1CCCC1CCSCCCCC=O 62a_100000005710_100000139335 [1,0,0,1,0,0|2,0,0]=4 10810 B15R1.3515 CN1CCCC1CCSCCCCC=O 62a_100000139335_100000005710 [1,0,0,1,0,0|2,0,0]=4 10811 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200000719330_100011998445 [1,0,0,1,0,0|2,0,0]=4 10812 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200012092642_100000709159 [1,0,0,1,0,0|2,0,0]=4 10813 B15R1.3515 COCCCCCCOC1CCCC1=O 7a_200012092642_100000211823 [1,0,0,1,0,0|2,0,0]=4 10814 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100000211823_100011998445 [1,0,0,1,0,0|2,0,0]=4 10815 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100011998445_100000211823 [1,0,0,1,0,0|2,0,0]=4 10816 B15R1.3515 C[C@@H]1CCCN1CCCCCCCCO 2230a_100015189458_100000033203 [1,0,0,1,0,0|1,0,1]=4 10817 B15R1.3515 C[C@@H]1CCCN1CCCCCCCCO 269982a_100015189458_100000033203 [1,0,0,1,0,0|1,0,1]=4 10818 B15R1.3515 C[C@@H]1CCCN1CCCCCCCCO 34a_100015189458_100000033203 [1,0,0,1,0,0|1,0,1]=4 10819 B15R1.3515 C[C@H]1CCCN1CCCCCCCCO 2230a_100020605311_100000033203 [1,0,0,1,0,0|1,0,1]=4 10820 B15R1.3515 C[C@H]1CCCN1CCCCCCCCO 269982a_100020605311_100000033203 [1,0,0,1,0,0|1,0,1]=4 10821 B15R1.3515 NCCCCCCCOC1CCCC1=O 34a_100011996573_100000709159 [1,0,0,1,0,0|2,0,0]=4 10822 B15R1.3515 O=C1CCCC1NCCCCCCCO 2230a_100011996573_100000211823 [1,0,0,1,0,0|2,0,0]=4 10823 B15R1.3515 O=C1CCCC1NCCCCCCCO 34a_100011996573_100000709159 [1,0,0,1,0,0|2,0,0]=4 10824 B15R1.3515 O=C1CCCC1OCCCCCCCBr 34a_100000760002_100000709159 [1,0,0,1,0,0|2,0,0]=4 10825 B15R1.3515 O=C1CCCC1OCCCCCCCBr 7a_100000760002_100000211823 [1,0,0,1,0,0|2,0,0]=4 10826 B15R1.3515 O=C1CCCC1OCCCCCCCO 34a_200000719330_100000760002 [1,0,0,1,0,0|2,0,0]=4 10827 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000211823_100000760002 [1,0,0,1,0,0|2,0,0]=4 10828 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000760002_100000211823 [1,0,0,1,0,0|2,0,0]=4 10829 B15R1.3523 C=CCCCCCCCCN1CCC1C 269982a_100000755817_100011933949 [1,0,0,1,0,0|2,0,0]=4 10830 B15R1.3523 C=CCCCCCCCCN1CCC1C 34a_100000755817_100011933949 [1,0,0,1,0,0|2,0,0]=4 10831 B15R1.3523 CC1CCN1CCCCCCCCCO 269982a_100000755817_100009813782 [1,0,0,1,0,0|1,0,1]=4 10832 B15R1.3523 CC1CCN1CCCCCCCCCO 34a_100000755817_100009813782 [1,0,0,1,0,0|1,0,1]=4 10833 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [1,0,0,1,0,0|1,0,0]=3 10834 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [1,0,0,1,0,0|1,0,0]=3 10835 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [1,0,0,1,0,0|1,0,0]=3 10836 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [1,0,0,1,0,0|1,0,0]=3 10837 B15R1.3523 CCCCCCCNCCC1CCC1=O 2230a_100000229938_200016118888 [1,0,0,1,0,0|1,0,0]=3 10838 B15R1.3523 CCCCCCCOCCC1CCC1=O 7a_100000210272_200016118888 [1,0,0,1,0,0|1,0,0]=3 10839 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_100000210614_200016118888 [1,0,0,1,0,0|1,0,0]=3 10840 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_200016118888_100000210316 [1,0,0,1,0,0|1,0,0]=3 10841 B15R1.3523 CCCCCCOCCOC1CCC1=O 34a_100000691444_100009892977 [1,0,0,1,0,0|2,0,0]=4 10842 B15R1.3523 CCCCCCOCCOC1CCC1=O 7a_100000691444_100009892977 [1,0,0,1,0,0|2,0,0]=4 10843 B15R1.3523 CCCCNCCCCOC1CCC1=O 34a_200011216965_100009892977 [1,0,0,1,0,0|2,0,0]=4 10844 B15R1.3523 CCCCOCCCCOC1CCC1=O 34a_200000760531_100009892977 [1,0,0,1,0,0|2,0,0]=4 10845 B15R1.3523 CCCCOCCCCOC1CCC1=O 7a_200000760531_100009892977 [1,0,0,1,0,0|2,0,0]=4 10846 B15R1.3523 CCCCOCCOCCC1CCC1=O 7a_100000210238_200016118888 [1,0,0,1,0,0|2,0,0]=4 10847 B15R1.3523 CCCCOCCSCCC1CCC1=O 62a_100000743108_200016118888 [1,0,0,1,0,0|2,0,0]=4 10848 B15R1.3523 CCCCOCCSCCC1CCC1=O 62a_200016118888_100000743108 [1,0,0,1,0,0|2,0,0]=4 10849 B15R1.3523 CCCCSCCNCCC1CCC1=O 2230a_100025743550_200016118888 [1,0,0,1,0,0|2,0,0]=4 10850 B15R1.3523 CCCCSCCOCCC1CCC1=O 7a_200000230436_200016118888 [1,0,0,1,0,0|2,0,0]=4 10851 B15R1.3523 CCCOCCCNCCC1CCC1=O 2230a_100011217757_200016118888 [1,0,0,1,0,0|2,0,0]=4 10852 B15R1.3523 COCCCCCNCCC1CCC1=O 2230a_100000747528_200016118888 [1,0,0,1,0,0|2,0,0]=4 10853 B15R1.3523 NCCCCCCCCOC1CCC1=O 34a_102515433106_100009892977 [1,0,0,1,0,0|2,0,0]=4 10854 B15R1.3523 O=C1CCC1CCNCCCCCCO 2230a_100000686447_200016118888 [1,0,0,1,0,0|2,0,0]=4 10855 B15R1.3523 O=C1CCC1CCOCCCCCCBr 7a_100011215345_200016118888 [1,0,0,1,0,0|2,0,0]=4 10856 B15R1.3523 O=C1CCC1CCOCCCCCCCl 7a_100000766143_200016118888 [1,0,0,1,0,0|2,0,0]=4 10857 B15R1.3523 O=C1CCC1CCOCCCCCCF 7a_100000732779_200016118888 [1,0,0,1,0,0|2,0,0]=4 10858 B15R1.3523 O=C1CCC1CCSCCCCCCF 62a_100015922095_200016118888 [1,0,0,1,0,0|2,0,0]=4 10859 B15R1.3523 O=C1CCC1CCSCCCCCCF 62a_200016118888_100015922095 [1,0,0,1,0,0|2,0,0]=4 10860 B15R1.3523 O=C1CCC1CCSCCCCCCO 62a_100000766143_200016118888 [1,0,0,1,0,0|2,0,0]=4 10861 B15R1.3523 O=C1CCC1CCSCCCCCCO 62a_200016118888_100000766143 [1,0,0,1,0,0|2,0,0]=4 10862 B15R1.3523 O=C1CCC1NCCCCCCCCO 34a_102515433106_100009892977 [1,0,0,1,0,0|2,0,0]=4 10863 B15R1.3523 O=C1CCC1OCCCCCCCCBr 34a_100009813846_100009892977 [1,0,0,1,0,0|2,0,0]=4 10864 B15R1.3523 O=C1CCC1OCCCCCCCCBr 7a_100009813846_100009892977 [1,0,0,1,0,0|2,0,0]=4 10865 B15R1.3523 O=C1CCC1OCCCCCCCCCl 34a_100000033203_100009892977 [1,0,0,1,0,0|2,0,0]=4 10866 B15R1.3523 O=C1CCC1OCCCCCCCCCl 7a_100000033203_100009892977 [1,0,0,1,0,0|2,0,0]=4 10867 B15R1.3523 O=C1CCC1SCCCCCCCCO 62a_100000033203_100009892977 [1,0,0,1,0,0|2,0,0]=4 10868 B15R1.3523 O=C1CCC1SCCCCCCCCO 62a_100009892977_100000033203 [1,0,0,1,0,0|2,0,0]=4 10869 B15R1.6328 C=CCCCCCCN1CCCCCC1 2230a_100000185865_100011215473 [1,0,0,1,0,0|2,0,0]=4 10870 B15R1.6328 C=CCCCCCCN1CCCCCC1 269982a_100000185865_100011215473 [1,0,0,1,0,0|2,0,0]=4 10871 B15R1.6328 C=CCCCCCCN1CCCCCC1 34a_100000185865_100011215473 [1,0,0,1,0,0|2,0,0]=4 10872 B15R1.6328 C=CCCCCCNC1CCCCCC1 2230a_100000210984_100000700193 [1,0,0,1,0,0|2,0,0]=4 10873 B15R1.6328 C=CCCCCCNC1CCCCCC1 34a_100000210984_100000700193 [1,0,0,1,0,0|2,0,0]=4 10874 B15R1.6328 C=CCCCCCOC1CCCCCC1 34a_100000210887_100000700193 [1,0,0,1,0,0|2,0,0]=4 10875 B15R1.6328 C=CCCCCCOC1CCCCCC1 34a_100011216702_100011217769 [1,0,0,1,0,0|2,0,0]=4 10876 B15R1.6328 C=CCCCCCOC1CCCCCC1 7a_100000210887_100000700193 [1,0,0,1,0,0|2,0,0]=4 10877 B15R1.6328 C=CCCCCNCC1CCCCCC1 2230a_100000703577_200000696569 [1,0,0,1,0,0|2,0,0]=4 10878 B15R1.6328 C=CCCCCNCC1CCCCCC1 2230a_100015204231_100011215482 [1,0,0,1,0,0|2,0,0]=4 10879 B15R1.6328 C=CCCCCNCC1CCCCCC1 269862a_100000703577_200000763224 [1,0,0,1,0,0|2,0,0]=4 10880 B15R1.6328 C=CCCCCNCC1CCCCCC1 34a_100000703577_200000696569 [1,0,0,1,0,0|2,0,0]=4 10881 B15R1.6328 C=CCCCCNCC1CCCCCC1 34a_100015204231_100011215482 [1,0,0,1,0,0|2,0,0]=4 10882 B15R1.6328 C=CCCCCOCC1CCCCCC1 34a_100000699130_100011215482 [1,0,0,1,0,0|2,0,0]=4 10883 B15R1.6328 C=CCCCCOCC1CCCCCC1 34a_100000766645_200000696569 [1,0,0,1,0,0|2,0,0]=4 10884 B15R1.6328 C=CCCCCOCC1CCCCCC1 7a_100000699130_100011215482 [1,0,0,1,0,0|2,0,0]=4 10885 B15R1.6328 C=CCCCCOCC1CCCCCC1 7a_100000766645_200000696569 [1,0,0,1,0,0|2,0,0]=4 10886 B15R1.6328 C=CCCCNCCC1CCCCCC1 2230a_100011532351_100011713584 [1,0,0,1,0,0|2,0,0]=4 10887 B15R1.6328 C=CCCCNCCC1CCCCCC1 34a_100011532351_100000757094 [1,0,0,1,0,0|2,0,0]=4 10888 B15R1.6328 O=CCCCCCNC1CCCCCC1 2230a_100000210984_100000139337 [1,0,0,1,0,0|1,0,0]=3 10889 B15R1.6328 O=CCCCCCOC1CCCCCC1 7a_100000210887_100000139337 [1,0,0,1,0,0|1,0,0]=3 10890 B15R1.6328 O=CCCCCCSC1CCCCCC1 62a_100000139337_100011217769 [1,0,0,1,0,0|1,0,0]=3 10891 B15R1.6328 O=CCCCCCSC1CCCCCC1 62a_100011217769_100000139337 [1,0,0,1,0,0|1,0,0]=3 10892 B15R1.6328 O=CCCCCNCC1CCCCCC1 2230a_100015204231_100000139335 [1,0,0,1,0,0|1,0,0]=3 10893 B15R1.6328 O=CCCCCOCC1CCCCCC1 7a_100000699130_100000139335 [1,0,0,1,0,0|1,0,0]=3 10894 B15R1.6328 O=CCCCCSCC1CCCCCC1 62a_100000139335_200000696569 [1,0,0,1,0,0|1,0,0]=3 10895 B15R1.6328 O=CCCCCSCC1CCCCCC1 62a_200000696569_100000139335 [1,0,0,1,0,0|1,0,0]=3 10896 B15R1.6328 O=CCCCNCCC1CCCCCC1 2230a_100011532351_200011292268 [1,0,0,1,0,0|1,0,0]=3 10897 B15R1.6328 O=CCCCSCCN1CCCCCC1 62a_100000722644_200011292268 [1,0,0,1,0,0|2,0,0]=4 10898 B15R1.6328 O=CCCCSCCN1CCCCCC1 62a_200011292268_100000722644 [1,0,0,1,0,0|2,0,0]=4 10899 B15R1.6328 O=CCOCCCCN1CCCCCC1 34a_100011305542_200009817547 [1,0,0,1,0,0|2,0,0]=4 10900 B15R1.6328 OCCCCCCCN1CCCCCC1 2230a_100000185865_100000760002 [1,0,0,1,0,0|1,0,1]=4 10901 B15R1.6328 OCCCCCCCN1CCCCCC1 269982a_100000185865_100000760002 [1,0,0,1,0,0|1,0,1]=4 10902 B15R1.6328 OCCCCCCCN1CCCCCC1 34a_100000185865_100000760002 [1,0,0,1,0,0|1,0,1]=4 10903 B15R1.6328 OCCCCCCNC1CCCCCC1 2230a_100000210984_100000766143 [1,0,0,1,0,0|1,0,1]=4 10904 B15R1.6328 OCCCCCCNC1CCCCCC1 270004a_100000686447_100000210131 [1,0,0,1,0,0|1,0,1]=4 10905 B15R1.6328 OCCCCCCNC1CCCCCC1 34a_100000210984_100000766143 [1,0,0,1,0,0|1,0,1]=4 10906 B15R1.6328 OCCCCCCNC1CCCCCC1 34a_100000686447_100011217769 [1,0,0,1,0,0|1,0,1]=4 10907 B15R1.6328 OCCCCCCOC1CCCCCC1 34a_100000210887_100000766143 [1,0,0,1,0,0|1,0,1]=4 10908 B15R1.6328 OCCCCCCOC1CCCCCC1 7a_100000210887_100000766143 [1,0,0,1,0,0|1,0,1]=4 10909 B15R1.6328 OCCCCCCSC1CCCCCC1 62a_100000766143_100011217769 [1,0,0,1,0,0|1,0,1]=4 10910 B15R1.6328 OCCCCCCSC1CCCCCC1 62a_100011217769_100000766143 [1,0,0,1,0,0|1,0,1]=4 10911 B15R1.6328 OCCCCCNCC1CCCCCC1 2230a_100000762737_200000696569 [1,0,0,1,0,0|1,0,1]=4 10912 B15R1.6328 OCCCCCNCC1CCCCCC1 2230a_100015204231_100000746330 [1,0,0,1,0,0|1,0,1]=4 10913 B15R1.6328 OCCCCCNCC1CCCCCC1 269862a_100000762737_200000763224 [1,0,0,1,0,0|1,0,1]=4 10914 B15R1.6328 OCCCCCNCC1CCCCCC1 34a_100000762737_200000696569 [1,0,0,1,0,0|1,0,1]=4 10915 B15R1.6328 OCCCCCNCC1CCCCCC1 34a_100015204231_100000746330 [1,0,0,1,0,0|1,0,1]=4 10916 B15R1.6328 OCCCCCOCC1CCCCCC1 34a_100000699130_100000746330 [1,0,0,1,0,0|1,0,1]=4 10917 B15R1.6328 OCCCCCOCC1CCCCCC1 7a_100000699130_100000746330 [1,0,0,1,0,0|1,0,1]=4 10918 B15R1.6328 OCCCCCSCC1CCCCCC1 62a_100000746330_200000696569 [1,0,0,1,0,0|1,0,1]=4 10919 B15R1.6328 OCCCCCSCC1CCCCCC1 62a_200000696569_100000746330 [1,0,0,1,0,0|1,0,1]=4 10920 B15R1.6328 OCCCCNCCC1CCCCCC1 2230a_100011532351_100000210776 [1,0,0,1,0,0|1,0,1]=4 10921 B15R1.6328 OCCCCNCCC1CCCCCC1 34a_100011532351_100011216708 [1,0,0,1,0,0|1,0,1]=4 10922 B15R1.9199 C=CCCCCCCCCCNC1CC1 34a_100000081888_100000211595 [1,0,0,1,0,0|2,0,0]=4 10923 B15R1.9199 C=CCCCCCCCCCNC1CC1 34a_100000212008_100009814027 [1,0,0,1,0,0|2,0,0]=4 10924 B15R1.9199 C=CCCCCCCCCCOC1CC1 34a_100000038209_100000211595 [1,0,0,1,0,0|2,0,0]=4 10925 B15R1.9199 C=CCCCCCCCCNCC1CC1 2230a_100000735609_100011933949 [1,0,0,1,0,0|2,0,0]=4 10926 B15R1.9199 C=CCCCCCCCCNCC1CC1 34a_100000735609_100011933949 [1,0,0,1,0,0|2,0,0]=4 10927 B15R1.9199 C=CCCCCCCCCOCC1CC1 34a_100000211283_100011933949 [1,0,0,1,0,0|2,0,0]=4 10928 B15R1.9199 C=CCCCCCCCCOCC1CC1 34a_100011215194_100000742324 [1,0,0,1,0,0|2,0,0]=4 10929 B15R1.9199 C=CCCCCCCCCOCC1CC1 7a_100011215194_100000742324 [1,0,0,1,0,0|2,0,0]=4 10930 B15R1.9199 C=CCCCCCCCNCCC1CC1 34a_100000764129_100012355270 [1,0,0,1,0,0|2,0,0]=4 10931 B15R1.9199 C=CCCCCCCCOCCC1CC1 34a_100000730831_100000694398 [1,0,0,1,0,0|2,0,0]=4 10932 B15R1.9199 C=CCCCCCCCOCCC1CC1 34a_100000754188_100012355270 [1,0,0,1,0,0|2,0,0]=4 10933 B15R1.9199 C=CCCCCCCCOCCC1CC1 7a_100000730831_100000764125 [1,0,0,1,0,0|2,0,0]=4 10934 B15R1.9199 C=CCCCCCCCOCCC1CC1 7a_100000754188_100012355270 [1,0,0,1,0,0|2,0,0]=4 10935 B15R1.9199 CCCCCCCCCCNCC1CO1 2230a_100000684558_100011216344 [1,0,0,1,0,0|1,0,1]=4 10936 B15R1.9199 CCCCCCCCCCNCC1CO1 34a_100000684558_102125554688 [1,0,0,1,0,0|1,0,1]=4 10937 B15R1.9199 CCCCCCCCCCOCC1CO1 34a_100000210711_102125554688 [1,0,0,1,0,0|1,0,1]=4 10938 B15R1.9199 CCCCCCCCCCOCC1CO1 7a_100000210711_102125554688 [1,0,0,1,0,0|1,0,1]=4 10939 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210320 [1,0,0,1,0,0|1,0,1]=4 10940 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 7a_100000210711_100000745022 [1,0,0,1,0,0|1,0,1]=4 10941 B15R1.9199 CCCCCCCCCCSCC1CO1 62a_102125554688_100000210320 [1,0,0,1,0,0|1,0,1]=4 10942 B15R1.9199 CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210320 [1,0,0,1,0,0|1,0,1]=4 10943 B15R1.9199 CCCCCCCCCNCCC1CO1 2230a_100000212291_100000732470 [1,0,0,1,0,0|1,0,1]=4 10944 B15R1.9199 CCCCCCCCCNCCC1CO1 34a_100000212291_100000732470 [1,0,0,1,0,0|1,0,1]=4 10945 B15R1.9199 CCCCCCCCCOCCC1CO1 34a_100000210712_100000732470 [1,0,0,1,0,0|1,0,1]=4 10946 B15R1.9199 CCCCCCCCCOCCC1CO1 7a_100000210712_100000732470 [1,0,0,1,0,0|1,0,1]=4 10947 B15R1.9199 CCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011214924 [1,0,0,1,0,0|1,0,1]=4 10948 B15R1.9199 CCCCCCCCCSCCC1CO1 62a_100000732470_100000210670 [1,0,0,1,0,0|1,0,1]=4 10949 B15R1.9199 CCCCCCCCNCCCC1CO1 2230a_100000229939_100000733510 [1,0,0,1,0,0|1,0,1]=4 10950 B15R1.9199 CCCCCCCCNCCCC1CO1 34a_100000229939_100000733510 [1,0,0,1,0,0|1,0,1]=4 10951 B15R1.9199 CCCCCCCCOCCCC1CO1 34a_100000210232_100000733510 [1,0,0,1,0,0|1,0,1]=4 10952 B15R1.9199 CCCCCCCCOCCCC1CO1 7a_100000210232_100000733510 [1,0,0,1,0,0|1,0,1]=4 10953 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000210759_100000733510 [1,0,0,1,0,0|1,0,1]=4 10954 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000733510_100000210317 [1,0,0,1,0,0|1,0,1]=4 10955 B15R1.9199 OCCCCCCCCCCNC1CC1 34a_100000066964_100000211595 [1,0,0,1,0,0|1,0,1]=4 10956 B15R1.9199 OCCCCCCCCCCNC1CC1 34a_100000212008_100009813290 [1,0,0,1,0,0|1,0,1]=4 10957 B15R1.9199 OCCCCCCCCCCSC1CC1 62a_100009813290_100000211595 [1,0,0,1,0,0|1,0,1]=4 10958 B15R1.9199 OCCCCCCCCCNCC1CC1 2230a_100000078944_100000742324 [1,0,0,1,0,0|1,0,1]=4 10959 B15R1.9199 OCCCCCCCCCNCC1CC1 2230a_100000735609_100009813782 [1,0,0,1,0,0|1,0,1]=4 10960 B15R1.9199 OCCCCCCCCCNCC1CC1 269862a_100000078944_100000741477 [1,0,0,1,0,0|1,0,1]=4 10961 B15R1.9199 OCCCCCCCCCNCC1CC1 34a_100000078944_100000742324 [1,0,0,1,0,0|1,0,1]=4 10962 B15R1.9199 OCCCCCCCCCNCC1CC1 34a_100000735609_100009813782 [1,0,0,1,0,0|1,0,1]=4 10963 B15R1.9199 OCCCCCCCCCOCC1CC1 34a_100000211283_100009813782 [1,0,0,1,0,0|1,0,1]=4 10964 B15R1.9199 OCCCCCCCCCSCC1CC1 62a_100000756562_100009813782 [1,0,0,1,0,0|1,0,1]=4 10965 B15R1.9199 OCCCCCCCCCSCC1CC1 62a_100009813782_100000742324 [1,0,0,1,0,0|1,0,1]=4 10966 B15R1.9199 OCCCCCCCCNCCC1CC1 2230a_102515433106_100000694398 [1,0,0,1,0,0|1,0,1]=4 10967 B15R1.9199 OCCCCCCCCNCCC1CC1 34a_100000764129_100000033203 [1,0,0,1,0,0|1,0,1]=4 10968 B15R1.9199 OCCCCCCCCNCCC1CC1 34a_102515433106_100000694398 [1,0,0,1,0,0|1,0,1]=4 10969 B15R1.9199 OCCCCCCCCOCCC1CC1 34a_100000754188_100000033203 [1,0,0,1,0,0|1,0,1]=4 10970 B15R1.9199 OCCCCCCCCOCCC1CC1 7a_100000754188_100000033203 [1,0,0,1,0,0|1,0,1]=4 10971 B15R1.9199 OCCCCCCCCSCCC1CC1 62a_100000033203_100000764125 [1,0,0,1,0,0|1,0,1]=4 10972 B15R1.9199 OCCCCCCCCSCCC1CC1 62a_100000764125_100000033203 [1,0,0,1,0,0|1,0,1]=4 10973 B15R1.11854 C=CCCCCN1CCCCCCCC1 2230a_100000039187_100011215482 [1,0,0,1,0,0|2,0,0]=4 10974 B15R1.11854 C=CCCCCN1CCCCCCCC1 269982a_100000039187_100011215482 [1,0,0,1,0,0|2,0,0]=4 10975 B15R1.11854 C=CCCCCN1CCCCCCCC1 34a_100000039187_100011215482 [1,0,0,1,0,0|2,0,0]=4 10976 B15R1.11854 C=CCCCNC1CCCCCCCC1 270004a_100000700776_100000038600 [1,0,0,1,0,0|2,0,0]=4 10977 B15R1.11854 O=CCCCCN1CCCCCCCC1 2230a_100000039187_100000139335 [1,0,0,1,0,0|1,0,0]=3 10978 B15R1.11854 O=CCCCCN1CCCCCCCC1 269982a_100000039187_100000139335 [1,0,0,1,0,0|1,0,0]=3 10979 B15R1.11854 OCCCCCN1CCCCCCCC1 2230a_100000039187_100000746330 [1,0,0,1,0,0|1,0,1]=4 10980 B15R1.11854 OCCCCCN1CCCCCCCC1 269982a_100000039187_100000746330 [1,0,0,1,0,0|1,0,1]=4 10981 B15R1.11854 OCCCCCN1CCCCCCCC1 34a_100000039187_100000746330 [1,0,0,1,0,0|1,0,1]=4 10982 B15R1.11854 OCCCCNC1CCCCCCCC1 270004a_100000750430_100000038600 [1,0,0,1,0,0|1,0,1]=4 10983 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [1,0,0,1,0,0|2,0,0]=4 10984 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [1,0,0,1,0,0|2,0,0]=4 10985 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [1,0,0,1,0,0|2,0,0]=4 10986 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [1,0,0,1,0,0|2,0,0]=4 10987 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [1,0,0,1,0,0|2,0,0]=4 10988 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [1,0,0,1,0,0|2,0,0]=4 10989 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [1,0,0,1,0,0|2,0,0]=4 10990 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [1,0,0,1,0,0|2,0,0]=4 10991 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [1,0,0,1,0,0|2,0,0]=4 10992 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [1,0,0,1,0,0|2,0,0]=4 10993 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [1,0,0,1,0,0|2,0,0]=4 10994 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [1,0,0,1,0,0|2,0,0]=4 10995 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [1,0,0,1,0,0|2,0,0]=4 10996 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [1,0,0,1,0,0|2,0,0]=4 10997 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [1,0,0,1,0,0|2,0,0]=4 10998 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [1,0,0,1,0,0|2,0,0]=4 10999 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [1,0,0,1,0,0|2,0,0]=4 11000 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [1,0,0,1,0,0|2,0,0]=4 11001 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [1,0,0,1,0,0|2,0,0]=4 11002 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [1,0,0,1,0,0|2,0,0]=4 11003 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [1,0,0,1,0,0|2,0,0]=4 11004 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [1,0,0,1,0,0|2,0,0]=4 11005 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [1,0,0,1,0,0|2,0,0]=4 11006 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [1,0,0,1,0,0|2,0,0]=4 11007 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [1,0,0,1,0,0|2,0,0]=4 11008 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [1,0,0,1,0,0|2,0,0]=4 11009 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [1,0,0,1,0,0|2,0,0]=4 11010 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [1,0,0,1,0,0|2,0,0]=4 11011 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [1,0,0,1,0,0|2,0,0]=4 11012 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [1,0,0,1,0,0|2,0,0]=4 11013 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [1,0,0,1,0,0|2,0,0]=4 11014 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [1,0,0,1,0,0|2,0,0]=4 11015 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [1,0,0,1,0,0|2,0,0]=4 11016 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [1,0,0,1,0,0|2,0,0]=4 11017 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [1,0,0,1,0,0|2,0,0]=4 11018 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [1,0,0,1,0,0|2,0,0]=4 11019 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [1,0,0,1,0,0|2,0,0]=4 11020 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [1,0,0,1,0,0|2,0,0]=4 11021 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [1,0,0,1,0,0|2,0,0]=4 11022 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [1,0,0,1,0,0|2,0,0]=4 11023 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [1,0,0,1,0,0|2,0,0]=4 11024 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [1,0,0,1,0,0|2,0,0]=4 11025 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [1,0,0,1,0,0|2,0,0]=4 11026 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [1,0,0,1,0,0|2,0,0]=4 11027 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [1,0,0,1,0,0|2,0,0]=4 11028 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [1,0,0,1,0,0|1,0,0]=3 11029 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [1,0,0,1,0,0|2,0,0]=4 11030 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [1,0,0,1,0,0|2,0,0]=4 11031 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [1,0,0,1,0,0|2,0,0]=4 11032 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [1,0,0,1,0,0|1,0,0]=3 11033 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [1,0,0,1,0,0|2,0,0]=4 11034 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [1,0,0,1,0,0|2,0,0]=4 11035 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [1,0,0,1,0,0|2,0,0]=4 11036 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [1,0,0,1,0,0|2,0,0]=4 11037 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [1,0,0,1,0,0|2,0,0]=4 11038 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [1,0,0,1,0,0|2,0,0]=4 11039 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [1,0,0,1,0,0|2,0,0]=4 11040 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [1,0,0,1,0,0|2,0,0]=4 11041 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [1,0,0,1,0,0|2,0,0]=4 11042 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [1,0,0,1,0,0|2,0,0]=4 11043 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [1,0,0,1,0,0|2,0,0]=4 11044 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [1,0,0,1,0,0|2,0,0]=4 11045 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [1,0,0,1,0,0|2,0,0]=4 11046 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [1,0,0,1,0,0|2,0,0]=4 11047 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [1,0,0,1,0,0|2,0,0]=4 11048 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [1,0,0,1,0,0|2,0,0]=4 11049 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [1,0,0,1,0,0|2,0,0]=4 11050 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [1,0,0,1,0,0|2,0,0]=4 11051 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [1,0,0,1,0,0|2,0,0]=4 11052 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [1,0,0,1,0,0|2,0,0]=4 11053 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [1,0,0,1,0,0|2,0,0]=4 11054 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [1,0,0,1,0,0|2,0,0]=4 11055 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [1,0,0,1,0,0|2,0,0]=4 11056 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [1,0,0,1,0,0|2,0,0]=4 11057 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [1,0,0,1,0,0|2,0,0]=4 11058 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [1,0,0,1,0,0|2,0,0]=4 11059 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [1,0,0,1,0,0|2,0,0]=4 11060 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [1,0,0,1,0,0|2,0,0]=4 11061 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [1,0,0,1,0,0|2,0,0]=4 11062 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [1,0,0,1,0,0|2,0,0]=4 11063 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [1,0,0,1,0,0|2,0,0]=4 11064 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [1,0,0,1,0,0|2,0,0]=4 11065 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [1,0,0,1,0,0|2,0,0]=4 11066 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [1,0,0,1,0,0|2,0,0]=4 11067 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [1,0,0,1,0,0|2,0,0]=4 11068 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [1,0,0,1,0,0|2,0,0]=4 11069 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [1,0,0,1,0,0|2,0,0]=4 11070 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [1,0,0,1,0,0|2,0,0]=4 11071 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [1,0,0,1,0,0|2,0,0]=4 11072 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [1,0,0,1,0,0|2,0,0]=4 11073 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [1,0,0,1,0,0|2,0,0]=4 11074 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [1,0,0,1,0,0|2,0,0]=4 11075 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [1,0,0,1,0,0|2,0,0]=4 11076 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [1,0,0,1,0,0|1,0,1]=4 11077 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [1,0,0,1,0,0|2,0,0]=4 11078 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [1,0,0,1,0,0|2,0,0]=4 11079 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [1,0,0,1,0,0|2,0,0]=4 11080 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [1,0,0,1,0,0|2,0,0]=4 11081 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [1,0,0,1,0,0|2,0,0]=4 11082 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [1,0,0,1,0,0|2,0,0]=4 11083 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [1,0,0,1,0,0|2,0,0]=4 11084 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [1,0,0,1,0,0|2,0,0]=4 11085 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [1,0,0,1,0,0|2,0,0]=4 11086 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [1,0,0,1,0,0|2,0,0]=4 11087 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [1,0,0,1,0,0|2,0,0]=4 11088 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [1,0,0,1,0,0|2,0,0]=4 11089 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [1,0,0,1,0,0|2,0,0]=4 11090 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [1,0,0,1,0,0|2,0,0]=4 11091 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [1,0,0,1,0,0|2,0,0]=4 11092 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [1,0,0,1,0,0|2,0,0]=4 11093 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [1,0,0,1,0,0|2,0,0]=4 11094 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [1,0,0,1,0,0|2,0,0]=4 11095 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [1,0,0,1,0,0|2,0,0]=4 11096 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [1,0,0,1,0,0|2,0,0]=4 11097 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [1,0,0,1,0,0|2,0,0]=4 11098 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [1,0,0,1,0,0|2,0,0]=4 11099 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [1,0,0,1,0,0|2,0,0]=4 11100 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [1,0,0,1,0,0|2,0,0]=4 11101 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [1,0,0,1,0,0|2,0,0]=4 11102 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [1,0,0,1,0,0|2,0,0]=4 11103 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [1,0,0,1,0,0|2,0,0]=4 11104 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [1,0,0,1,0,0|2,0,0]=4 11105 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [1,0,0,1,0,0|2,0,0]=4 11106 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [1,0,0,1,0,0|2,0,0]=4 11107 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [1,0,0,1,0,0|2,0,0]=4 11108 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [1,0,0,1,0,0|2,0,0]=4 11109 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [1,0,0,1,0,0|2,0,0]=4 11110 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [1,0,0,1,0,0|2,0,0]=4 11111 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [1,0,0,1,0,0|2,0,0]=4 11112 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [1,0,0,1,0,0|2,0,0]=4 11113 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [1,0,0,1,0,0|2,0,0]=4 11114 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [1,0,0,1,0,0|2,0,0]=4 11115 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [1,0,0,1,0,0|2,0,0]=4 11116 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [1,0,0,1,0,0|2,0,0]=4 11117 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [1,0,0,1,0,0|2,0,0]=4 11118 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [1,0,0,1,0,0|2,0,0]=4 11119 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [1,0,0,1,0,0|2,0,0]=4 11120 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [1,0,0,1,0,0|2,0,0]=4 11121 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [1,0,0,1,0,0|2,0,0]=4 11122 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [1,0,0,1,0,0|2,0,0]=4 11123 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [1,0,0,1,0,0|2,0,0]=4 11124 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [1,0,0,1,0,0|1,0,1]=4 11125 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [1,0,0,1,0,0|1,0,1]=4 11126 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [1,0,0,1,0,0|2,0,0]=4 11127 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [1,0,0,1,0,0|2,0,0]=4 11128 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [1,0,0,1,0,0|2,0,0]=4 11129 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [1,0,0,1,0,0|2,0,0]=4 11130 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [1,0,0,1,0,0|2,0,0]=4 11131 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [1,0,0,1,0,0|2,0,0]=4 11132 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [1,0,0,1,0,0|2,0,0]=4 11133 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [1,0,0,1,0,0|2,0,0]=4 11134 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [1,0,0,1,0,0|2,0,0]=4 11135 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [1,0,0,1,0,0|1,0,0]=3 11136 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [1,0,0,1,0,0|2,0,0]=4 11137 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [1,0,0,1,0,0|2,0,0]=4 11138 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [1,0,0,1,0,0|2,0,0]=4 11139 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [1,0,0,1,0,0|2,0,0]=4 11140 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [1,0,0,1,0,0|2,0,0]=4 11141 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [1,0,0,1,0,0|2,0,0]=4 11142 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [1,0,0,1,0,0|2,0,0]=4 11143 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [1,0,0,1,0,0|2,0,0]=4 11144 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [1,0,0,1,0,0|2,0,0]=4 11145 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [1,0,0,1,0,0|2,0,0]=4 11146 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [1,0,0,1,0,0|2,0,0]=4 11147 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [1,0,0,1,0,0|2,0,0]=4 11148 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [1,0,0,1,0,0|2,0,0]=4 11149 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [1,0,0,1,0,0|2,0,0]=4 11150 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [1,0,0,1,0,0|2,0,0]=4 11151 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [1,0,0,1,0,0|2,0,0]=4 11152 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [1,0,0,1,0,0|1,0,0]=3 11153 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [1,0,0,1,0,0|2,0,0]=4 11154 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [1,0,0,1,0,0|2,0,0]=4 11155 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [1,0,0,1,0,0|2,0,0]=4 11156 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [1,0,0,1,0,0|2,0,0]=4 11157 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [1,0,0,1,0,0|2,0,0]=4 11158 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [1,0,0,1,0,0|1,0,0]=3 11159 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [1,0,0,1,0,0|2,0,0]=4 11160 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [1,0,0,1,0,0|2,0,0]=4 11161 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [1,0,0,1,0,0|2,0,0]=4 11162 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [1,0,0,1,0,0|2,0,0]=4 11163 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [1,0,0,1,0,0|2,0,0]=4 11164 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [1,0,0,1,0,0|2,0,0]=4 11165 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [1,0,0,1,0,0|2,0,0]=4 11166 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [1,0,0,1,0,0|2,0,0]=4 11167 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [1,0,0,1,0,0|2,0,0]=4 11168 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [1,0,0,1,0,0|2,0,0]=4 11169 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [1,0,0,1,0,0|2,0,0]=4 11170 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [1,0,0,1,0,0|2,0,0]=4 11171 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [1,0,0,1,0,0|2,0,0]=4 11172 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [1,0,0,1,0,0|2,0,0]=4 11173 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [1,0,0,1,0,0|2,0,0]=4 11174 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [1,0,0,1,0,0|2,0,0]=4 11175 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [1,0,0,1,0,0|2,0,0]=4 11176 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [1,0,0,1,0,0|2,0,0]=4 11177 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [1,0,0,1,0,0|1,0,1]=4 11178 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [1,0,0,1,0,0|2,0,0]=4 11179 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [1,0,0,1,0,0|2,0,0]=4 11180 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [1,0,0,1,0,0|2,0,0]=4 11181 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [1,0,0,1,0,0|2,0,0]=4 11182 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [1,0,0,1,0,0|2,0,0]=4 11183 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [1,0,0,1,0,0|2,0,0]=4 11184 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [1,0,0,1,0,0|2,0,0]=4 11185 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [1,0,0,1,0,0|2,0,0]=4 11186 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [1,0,0,1,0,0|2,0,0]=4 11187 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [1,0,0,1,0,0|2,0,0]=4 11188 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [1,0,0,1,0,0|2,0,0]=4 11189 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [1,0,0,1,0,0|2,0,0]=4 11190 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [1,0,0,1,0,0|2,0,0]=4 11191 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [1,0,0,1,0,0|2,0,0]=4 11192 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [1,0,0,1,0,0|2,0,0]=4 11193 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [1,0,0,1,0,0|2,0,0]=4 11194 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [1,0,0,1,0,0|2,0,0]=4 11195 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [1,0,0,1,0,0|2,0,0]=4 11196 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [1,0,0,1,0,0|2,0,0]=4 11197 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [1,0,0,1,0,0|2,0,0]=4 11198 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [1,0,0,1,0,0|2,0,0]=4 11199 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [1,0,0,1,0,0|2,0,0]=4 11200 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [1,0,0,1,0,0|2,0,0]=4 11201 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [1,0,0,1,0,0|2,0,0]=4 11202 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [1,0,0,1,0,0|2,0,0]=4 11203 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [1,0,0,1,0,0|2,0,0]=4 11204 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [1,0,0,1,0,0|2,0,0]=4 11205 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [1,0,0,1,0,0|2,0,0]=4 11206 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [1,0,0,1,0,0|1,0,0]=3 11207 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [1,0,0,1,0,0|2,0,0]=4 11208 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [1,0,0,1,0,0|2,0,0]=4 11209 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [1,0,0,1,0,0|1,0,0]=3 11210 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [1,0,0,1,0,0|2,0,0]=4 11211 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [1,0,0,1,0,0|2,0,0]=4 11212 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [1,0,0,1,0,0|2,0,0]=4 11213 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [1,0,0,1,0,0|2,0,0]=4 11214 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [1,0,0,1,0,0|2,0,0]=4 11215 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [1,0,0,1,0,0|2,0,0]=4 11216 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [1,0,0,1,0,0|2,0,0]=4 11217 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [1,0,0,1,0,0|2,0,0]=4 11218 B17R1.1669 CCCC(=O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000747444 [0,1,0,1,0,0|1,0,1]=4 11219 B17R1.1669 CCCC(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011216630 [0,1,0,1,0,0|1,0,0]=3 11220 B17R1.1669 COCC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011215053 [0,1,0,1,0,0|2,0,0]=4 11221 B17R1.9279 CC(=O)CCCCCCCCCC1OCCO1 1458a_100000070787_103619048131 [0,1,0,1,0,0|2,0,0]=4 11222 B17R1.9279 CC(=O)CCCCNCCCOC1CCCC1 34a_100000747560_100009817362 [0,1,0,1,0,0|2,0,0]=4 11223 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 2230a_200011996284_100000740388 [0,1,0,1,0,0|2,0,0]=4 11224 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 269862a_200011996284_100000746403 [0,1,0,1,0,0|2,0,0]=4 11225 B17R1.9279 CC(=O)NCCCCCCNCC1CCCC1 34a_200011996284_100000740388 [0,1,0,1,0,0|2,0,0]=4 11226 B17R1.9279 CC(=O)NCCCCCNCCC1CCCC1 2230a_200012022750_100000760354 [0,1,0,1,0,0|2,0,0]=4 11227 B17R1.9279 CC(=O)NCCCCCNCCC1CCCC1 34a_200012022750_100000760354 [0,1,0,1,0,0|2,0,0]=4 11228 B17R1.9279 CC(=O)NCCCCNCCCC1CCCC1 2230a_200011368371_100011713738 [0,1,0,1,0,0|2,0,0]=4 11229 B17R1.9279 CC(=O)NCCCCNCCCC1CCCC1 34a_200011368371_100011713738 [0,1,0,1,0,0|2,0,0]=4 11230 B17R1.9279 CC(=O)OCCCCCNCCC1CCCC1 2230a_100000739158_100009813381 [0,1,0,1,0,0|2,0,0]=4 11231 B17R1.9279 CC(=O)OCCCCCNCCC1CCCC1 34a_100000739158_100000033007 [0,1,0,1,0,0|2,0,0]=4 11232 B17R1.9279 CC(=O)OCCCCCOCCC1CCCC1 34a_100000749090_100000033007 [0,1,0,1,0,0|2,0,0]=4 11233 B17R1.9279 CC(=O)OCCCCCOCCC1CCCC1 7a_100000749090_100000033007 [0,1,0,1,0,0|2,0,0]=4 11234 B17R1.9279 CC(=O)OCCCCCSCCC1CCCC1 62a_100000033007_100000760354 [0,1,0,1,0,0|2,0,0]=4 11235 B17R1.9279 CC(=O)OCCCCCSCCC1CCCC1 62a_100000760354_100000033007 [0,1,0,1,0,0|2,0,0]=4 11236 B17R1.9279 CC(=O)OCCCCNCCCC1CCCC1 34a_100000736752_100000033659 [0,1,0,1,0,0|2,0,0]=4 11237 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 34a_100000073216_100011713738 [0,1,0,1,0,0|2,0,0]=4 11238 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 34a_100011215328_100000033659 [0,1,0,1,0,0|2,0,0]=4 11239 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 7a_100000073216_100011713738 [0,1,0,1,0,0|2,0,0]=4 11240 B17R1.9279 CC(=O)OCCCCOCCCC1CCCC1 7a_100011215328_100000033659 [0,1,0,1,0,0|2,0,0]=4 11241 B17R1.9279 CC(=O)OCCCCSCCCC1CCCC1 62a_100000033659_100011713738 [0,1,0,1,0,0|2,0,0]=4 11242 B17R1.9279 CC(=O)OCCCCSCCCC1CCCC1 62a_100011713738_100000033659 [0,1,0,1,0,0|2,0,0]=4 11243 B17R1.9279 CC(=O)SCCCCCCNCC1CCCC1 269862a_100000704104_100000746403 [0,1,0,1,0,0|2,0,0]=4 11244 B17R1.9279 CC(=O)SCCCCNCCCC1CCCC1 2230a_100000736752_200010402107 [0,1,0,1,0,0|2,0,0]=4 11245 B17R1.9279 CC(=O)SCCCCNCCCC1CCCC1 34a_100000736752_200010402107 [0,1,0,1,0,0|2,0,0]=4 11246 B17R1.9279 CC(=O)SCCCCOCCCC1CCCC1 34a_100011215328_200010402107 [0,1,0,1,0,0|2,0,0]=4 11247 B17R1.9279 CC(=O)SCCCCOCCCC1CCCC1 7a_100011215328_200010402107 [0,1,0,1,0,0|2,0,0]=4 11248 B17R1.9279 CC(=O)SCCCCSCCCC1CCCC1 62a_100011713738_200010402107 [0,1,0,1,0,0|2,0,0]=4 11249 B17R1.9279 CC(=O)SCCCCSCCCC1CCCC1 62a_200010402107_100011713738 [0,1,0,1,0,0|2,0,0]=4 11250 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 2230a_100000736752_100009817443 [0,1,0,1,0,0|1,0,0]=3 11251 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 34a_100000736752_100009817443 [0,1,0,1,0,0|1,0,0]=3 11252 B17R1.9279 NC(=O)CCCCCNCCOC1CCCC1 34a_100000741755_100009817443 [0,1,0,1,0,0|2,0,0]=4 11253 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100000123541_100011713738 [0,1,0,1,0,0|1,0,0]=3 11254 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100011215328_100009817443 [0,1,0,1,0,0|1,0,0]=3 11255 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100000123541_100011713738 [0,1,0,1,0,0|1,0,0]=3 11256 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100011215328_100009817443 [0,1,0,1,0,0|1,0,0]=3 11257 B17R1.9279 NC(=O)CCCCCOCCCN1CCCC1 34a_100000123541_100016991639 [0,1,0,1,0,0|2,0,0]=4 11258 B17R1.9279 NC(=O)CCCCCOCCCN1CCCC1 7a_100000123541_100011445909 [0,1,0,1,0,0|2,0,0]=4 11259 B17R1.9279 NC(=O)CCCCCOCCNC1CCCC1 34a_200000200444_100009817443 [0,1,0,1,0,0|2,0,0]=4 11260 B17R1.9279 NC(=O)CCCCCOCCOC1CCCC1 34a_100000738311_100009817443 [0,1,0,1,0,0|2,0,0]=4 11261 B17R1.9279 NC(=O)CCCCCOCCOC1CCCC1 7a_100000738311_100009817443 [0,1,0,1,0,0|2,0,0]=4 11262 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100009817443_100011713738 [0,1,0,1,0,0|1,0,0]=3 11263 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100011713738_100009817443 [0,1,0,1,0,0|1,0,0]=3 11264 B17R1.9279 NC(=O)CCCCCSCCCN1CCCC1 62a_100009817443_100011445909 [0,1,0,1,0,0|2,0,0]=4 11265 B17R1.9279 NC(=O)CCCCCSCCCN1CCCC1 62a_100016991639_100009817443 [0,1,0,1,0,0|2,0,0]=4 11266 B17R1.9279 O=C(O)COCCOCCNCC1CCCC1 269956a_100009854275_100000740388 [0,1,0,1,0,0|2,0,0]=4 11267 B17R1.9279 O=C([O-])CCCCCOCCCC1CCCC1 7a_100102619762_100011713738 [0,1,0,1,0,0|0,0,1]=3 11268 B17R1.9279 O=C([O-])CCCCCOCCCN1CCCC1 7a_100102619762_100011445909 [0,1,0,1,0,0|1,0,1]=4 11269 B17R1.9279 OB(O)CCCCCCNCCC1CCCC1 2230a_100000739158_100009817187 [0,1,0,1,0,0|1,0,1]=4 11270 B17R1.9279 OB(O)CCCCCCNCCC1CCCC1 34a_100000739158_100009817187 [0,1,0,1,0,0|1,0,1]=4 11271 B17R1.9279 OB(O)CCCCCCOCCC1CCCC1 34a_100000749090_100009817187 [0,1,0,1,0,0|1,0,1]=4 11272 B17R1.9279 OB(O)CCCCCCOCCC1CCCC1 7a_100000749090_100009817187 [0,1,0,1,0,0|1,0,1]=4 11273 B17R1.9279 OB(O)CCCCCCSCCC1CCCC1 62a_100000760354_100009817187 [0,1,0,1,0,0|1,0,1]=4 11274 B17R1.9279 OB(O)CCCCCCSCCC1CCCC1 62a_100009817187_100000760354 [0,1,0,1,0,0|1,0,1]=4 11275 B17R1.9279 OB(O)CCCCCNCCCC1CCCC1 2230a_100000736752_200009817188 [0,1,0,1,0,0|1,0,1]=4 11276 B17R1.9279 OB(O)CCCCCNCCCC1CCCC1 34a_100000736752_200009817188 [0,1,0,1,0,0|1,0,1]=4 11277 B17R1.9279 OB(O)CCCCCOCCCC1CCCC1 34a_100011215328_200009817188 [0,1,0,1,0,0|1,0,1]=4 11278 B17R1.9279 OB(O)CCCCCOCCCC1CCCC1 7a_100011215328_200009817188 [0,1,0,1,0,0|1,0,1]=4 11279 B17R1.9279 OB(O)CCCCCSCCCC1CCCC1 62a_100011713738_200009817188 [0,1,0,1,0,0|1,0,1]=4 11280 B17R1.9279 OB(O)CCCCCSCCCC1CCCC1 62a_200009817188_100011713738 [0,1,0,1,0,0|1,0,1]=4 11281 B17R1.11234 CC(=O)NCCCCCCNC1CCCC1C 269862a_200011996284_100000752053 [0,1,0,1,0,0|2,0,0]=4 11282 B17R1.11234 CC(=O)SCCCCCCNC1CCCC1C 269862a_100000704104_100000752053 [0,1,0,1,0,0|2,0,0]=4 11283 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 34a_100000123541_100000005710 [0,1,0,1,0,0|2,0,0]=4 11284 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 34a_100011215177_100009817443 [0,1,0,1,0,0|2,0,0]=4 11285 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 7a_100000123541_100000005710 [0,1,0,1,0,0|2,0,0]=4 11286 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)N 7a_100011215177_100009817443 [0,1,0,1,0,0|2,0,0]=4 11287 B17R1.11234 CN1CCCC1CCOCCCCCC(=O)[O-] 7a_100102619762_100000005710 [0,1,0,1,0,0|1,0,1]=4 11288 B17R1.11234 CN1CCCC1CCSCCCCCC(=O)N 62a_100000005710_100009817443 [0,1,0,1,0,0|2,0,0]=4 11289 B17R1.11234 CN1CCCC1CCSCCCCCC(=O)N 62a_100009817443_100000005710 [0,1,0,1,0,0|2,0,0]=4 11290 B17R1.11376 CC(C)CCCCCCCOCC1CC(=O)C1 7a_200000210741_100009874392 [0,1,0,1,0,0|2,0,0]=4 11291 B17R1.14399 CC(C)CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210682 [0,1,0,1,0,0|2,0,0]=4 11292 B17R1.14399 NC(=O)CCCCCNCC1CCCC(C1)O 2230a_100011254705_100009817443 [0,1,0,1,0,0|2,0,0]=4 11293 B17R1.14585 CC1CCC(C(C1)C)OCCCCCC(=O)N 34a_100011539931_100009817443 [0,1,0,1,0,0|2,0,0]=4 11294 B17R1.14585 CC1CCC(C(C1)C)OCCCCCC(=O)N 7a_100011539931_100009817443 [0,1,0,1,0,0|2,0,0]=4 11295 B17R1.30903 CC(CCO)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009893172 [0,1,0,1,0,0|2,0,0]=4 11296 B17R1.30903 CCCC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766640 [0,1,0,1,0,0|1,0,0]=3 11297 B17R1.30903 COCC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000765312 [0,1,0,1,0,0|2,0,0]=4 11298 B17R1.745 CCCCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218727 [0,1,0,1,0,0|2,0,0]=4 11299 B17R1.1286 CCCCCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_200011218727 [0,1,0,1,0,0|2,0,0]=4 11300 B17R1.1286 CCCCCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000210596 [0,1,0,1,0,0|2,0,0]=4 11301 B17R1.1286 CCCCCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_200011218727 [0,1,0,1,0,0|2,0,0]=4 11302 B17R1.1286 CCCCCCCC(C)OCC1CCC(=O)N1 34a_100000737831_200011218727 [0,1,0,1,0,0|2,0,0]=4 11303 B17R1.1286 CCCCCCCC(C)OCC1CNC(=O)O1 34a_100011315639_200011218727 [0,1,0,1,0,0|2,0,0]=4 11304 B17R1.1286 CCCCCCCC(C)OCC1CNC(=O)O1 34a_200011215852_100000181169 [0,1,0,1,0,0|2,0,0]=4 11305 B17R1.1286 CCCCCCCC(C)OCC1CNC(=O)O1 7a_200011215852_100000181169 [0,1,0,1,0,0|2,0,0]=4 11306 B17R1.1286 CCCCCCCC(C)OCC1COC(=O)O1 34a_200011215852_100000073702 [0,1,0,1,0,0|2,0,0]=4 11307 B17R1.1286 CCCCCCCC(C)OC[C@@H]1CCC(=O)N1 7a_200011215852_100015189358 [0,1,0,1,0,0|2,0,0]=4 11308 B17R1.1286 CCCCCCCC(C)SCC1CNC(=O)O1 62a_100000181169_200011218727 [0,1,0,1,0,0|2,0,0]=4 11309 B17R1.1286 CCCCCCCC(C)SCC1CNC(=O)O1 62a_200011218727_100000181169 [0,1,0,1,0,0|2,0,0]=4 11310 B17R1.1286 CCCCCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011218727 [0,1,0,1,0,0|2,0,0]=4 11311 B17R1.1286 CCCCCCCC(C)SCC1COC(=O)O1 62a_200011218727_100000073702 [0,1,0,1,0,0|2,0,0]=4 11312 B17R1.1286 CCCCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_200011218727 [0,1,0,1,0,0|2,0,0]=4 11313 B17R1.1286 CCCCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_200011218727_100015189358 [0,1,0,1,0,0|2,0,0]=4 11314 B17R1.1325 CC(=O)CCCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100000685027 [0,1,0,1,0,0|2,0,0]=4 11315 B17R1.1325 CC(CC1CCCCC1)NCCCCC(=O)N 270004a_100000696515_100011215996 [0,1,0,1,0,0|2,0,0]=4 11316 B17R1.1325 CN(CCCCCC(=O)N)CC1CCCCC1 2230a_100000736448_100009817443 [0,1,0,1,0,0|2,0,0]=4 11317 B17R1.1325 CN(CCCCCC(=O)N)CC1CCCCC1 269982a_100000736448_100009817443 [0,1,0,1,0,0|2,0,0]=4 11318 B17R1.1325 CN(CCCCCC(=O)N)CC1CCCCC1 34a_100000736448_100009817443 [0,1,0,1,0,0|2,0,0]=4 11319 B17R1.1325 NC(=O)CCCCCC(=O)CC1CCCCC1 1458a_100000211666_100009817443 [0,1,0,1,0,0|1,0,1]=4 11320 B17R1.1325 NC(=O)CCCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100102525003 [0,1,0,1,0,0|2,0,0]=4 11321 B17R1.9270 CCCCCCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_200011218727 [0,1,0,1,0,0|2,0,0]=4 11322 B17R1.9270 CCCCCCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000210596 [0,1,0,1,0,0|2,0,0]=4 11323 B17R1.9270 CCCCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200011218727 [0,1,0,1,0,0|1,0,0]=3 11324 B17R1.9270 CCCCCCCC(C)N1CCSC1C(=O)O 269956a_100000035718_200011218727 [0,1,0,1,0,0|2,0,0]=4 11325 B17R1.9270 CCCCCCCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_200011218727 [0,1,0,1,0,0|2,0,0]=4 11326 B17R1.9294 NC(=O)CCCCCC(=O)CCC1CCCC1 1458a_100000211120_100009817443 [0,1,0,1,0,0|1,0,1]=4 11327 B17R1.13883 CC1CCCCC1C(=O)CCCCCC(=O)N 1458a_100011215568_100009817443 [0,1,0,1,0,0|1,0,1]=4 11328 B17R1.16345 CC(=O)NCCCNC1CCCCCCCC1 270004a_100000736810_100000038600 [0,1,0,1,0,0|2,0,0]=4 11329 B17R1.16345 CC(=O)OCCCCN1CCCCCCCC1 269982a_100000039187_100000033659 [0,1,0,1,0,0|2,0,0]=4 11330 B17R1.16345 CC(=O)OCCCCN1CCCCCCCC1 34a_100000039187_100000033659 [0,1,0,1,0,0|2,0,0]=4 11331 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 2230a_100000039187_200010402107 [0,1,0,1,0,0|2,0,0]=4 11332 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 269982a_100000039187_200010402107 [0,1,0,1,0,0|2,0,0]=4 11333 B17R1.16345 CC(=O)SCCCCN1CCCCCCCC1 34a_100000039187_200010402107 [0,1,0,1,0,0|2,0,0]=4 11334 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 2230a_100000039187_100009817443 [0,1,0,1,0,0|1,0,0]=3 11335 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 269982a_100000039187_100009817443 [0,1,0,1,0,0|1,0,0]=3 11336 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 34a_100000039187_100009817443 [0,1,0,1,0,0|1,0,0]=3 11337 B17R1.16345 NC(=O)CCCCNC1CCCCCCCC1 270004a_100000696515_100000038600 [0,1,0,1,0,0|1,0,0]=3 11338 B17R1.16345 OB(O)CCCCCN1CCCCCCCC1 2230a_100000039187_200009817188 [0,1,0,1,0,0|1,0,1]=4 11339 B17R1.16345 OB(O)CCCCCN1CCCCCCCC1 269982a_100000039187_200009817188 [0,1,0,1,0,0|1,0,1]=4 11340 B17R1.16345 OB(O)CCCCCN1CCCCCCCC1 34a_100000039187_200009817188 [0,1,0,1,0,0|1,0,1]=4 11341 B17R1.25717 CCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210614 [0,1,0,1,0,0|1,0,0]=3 11342 B17R1.25717 CCCCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210614 [0,1,0,1,0,0|2,0,0]=4 11343 B17R1.25717 CCCCOCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000743108 [0,1,0,1,0,0|2,0,0]=4 11344 B17R1.25717 O=C(O)CC1CCCN(C1)CCCCCCF 269956a_100015207179_100015922095 [0,1,0,1,0,0|2,0,0]=4 11345 B17R1.25717 O=C(O)CC1CCCN(C1)CCCCCCO 269956a_100015207179_100000766143 [0,1,0,1,0,0|2,0,0]=4 11346 B17R1.103818 CN(CCCCCC(=O)N)C1CCCCCC1 2230a_100015185097_100009817443 [0,1,0,1,0,0|2,0,0]=4 11347 B17R1.103818 CN(CCCCCC(=O)N)C1CCCCCC1 269982a_100015185097_100009817443 [0,1,0,1,0,0|2,0,0]=4 11348 B17R1.103818 CN(CCCCCC(=O)N)C1CCCCCC1 34a_100015185097_100009817443 [0,1,0,1,0,0|2,0,0]=4 11349 B17R1.103818 NC(=O)CCCCCC(=O)C1CCCCCC1 1458a_100000749507_100009817443 [0,1,0,1,0,0|1,0,1]=4 11350 B17R1.451 CC(=O)CCCCNCCN1CCCCC1C 34a_100000739827_100009817362 [0,1,0,1,0,0|2,0,0]=4 11351 B17R1.451 CC(=O)CCCCOCCN1CCCCC1C 34a_100011305533_100009817362 [0,1,0,1,0,0|2,0,0]=4 11352 B17R1.451 CC(=O)CCCCSCCC1CCCCN1C 62a_100000211948_100000735457 [0,1,0,1,0,0|2,0,0]=4 11353 B17R1.451 CC(=O)CCCCSCCC1CCCCN1C 62a_100000735457_100000211948 [0,1,0,1,0,0|2,0,0]=4 11354 B17R1.451 CC(=O)CCCNCCCN1CCCCC1C 34a_100000212276_100000685027 [0,1,0,1,0,0|2,0,0]=4 11355 B17R1.451 CC(=O)CCCOCCCN1CCCCC1C 34a_100000213889_100000685027 [0,1,0,1,0,0|2,0,0]=4 11356 B17R1.451 CC(=O)CCCOCCCN1CCCCC1C 7a_100000213889_100011215641 [0,1,0,1,0,0|2,0,0]=4 11357 B17R1.451 CC(=O)NCCCCCNC1CCCCC1C 269862a_200012022750_100000210921 [0,1,0,1,0,0|2,0,0]=4 11358 B17R1.451 CC(=O)NCCCCCNC1CCCCC1C 270004a_200012022750_100000210921 [0,1,0,1,0,0|2,0,0]=4 11359 B17R1.451 CC(=O)OCCCCCNC1CCCCC1C 2230a_100000211402_100009813381 [0,1,0,1,0,0|2,0,0]=4 11360 B17R1.451 CC(=O)OCCCCCNC1CCCCC1C 34a_100000211402_100000033007 [0,1,0,1,0,0|2,0,0]=4 11361 B17R1.451 CC(=O)OCCCCCOC1CCCCC1C 34a_100000211207_100000033007 [0,1,0,1,0,0|2,0,0]=4 11362 B17R1.451 CC(=O)OCCCCCOC1CCCCC1C 7a_100000211207_100000033007 [0,1,0,1,0,0|2,0,0]=4 11363 B17R1.451 CC1CCCCC1NCCCCCCB(O)O 2230a_100000211402_100009817187 [0,1,0,1,0,0|1,0,1]=4 11364 B17R1.451 CC1CCCCC1NCCCCCCB(O)O 34a_100000211402_100009817187 [0,1,0,1,0,0|1,0,1]=4 11365 B17R1.451 CC1CCCCC1OCCCCCCB(O)O 34a_100000211207_100009817187 [0,1,0,1,0,0|1,0,1]=4 11366 B17R1.451 CC1CCCCC1OCCCCCCB(O)O 7a_100000211207_100009817187 [0,1,0,1,0,0|1,0,1]=4 11367 B17R1.451 CC1CCCCN1CCCNCCCC(=O)N 34a_100000212276_100102525003 [0,1,0,1,0,0|2,0,0]=4 11368 B17R1.451 CC1CCCCN1CCCOCCCC(=O)N 34a_100000213889_100102525003 [0,1,0,1,0,0|2,0,0]=4 11369 B17R1.451 CC1CCCCN1CCCOCCCC(=O)N 7a_100000213889_100102525003 [0,1,0,1,0,0|2,0,0]=4 11370 B17R1.451 CN1CCCCC1CCNCCCCC(=O)N 34a_100000696515_100000211948 [0,1,0,1,0,0|2,0,0]=4 11371 B17R1.451 CN1CCCCC1CCNCCOCC(=O)O 269956a_100000700818_100000211948 [0,1,0,1,0,0|2,0,0]=4 11372 B17R1.451 CN1CCCCC1CCOCCCCC(=O)N 34a_100012022536_100000211948 [0,1,0,1,0,0|2,0,0]=4 11373 B17R1.451 CN1CCCCC1CCOCCCCC(=O)N 7a_100012022536_100000211948 [0,1,0,1,0,0|2,0,0]=4 11374 B17R1.451 CN1CCCCC1CNCCCCCC(=O)N 34a_100011228421_100009817443 [0,1,0,1,0,0|2,0,0]=4 11375 B17R1.451 CN1CCCCC1COCCCCCC(=O)N 34a_100000123541_100015186950 [0,1,0,1,0,0|2,0,0]=4 11376 B17R1.451 CN1CCCCC1COCCCCCC(=O)N 34a_100000225079_100009817443 [0,1,0,1,0,0|2,0,0]=4 11377 B17R1.451 CN1CCCCC1COCCCCCC(=O)N 7a_100000123541_100015185383 [0,1,0,1,0,0|2,0,0]=4 11378 B17R1.451 CN1CCCCC1COCCCCCC(=O)[O-] 7a_100102619762_100015185383 [0,1,0,1,0,0|1,0,1]=4 11379 B17R1.451 CN1CCCCC1CSCCCCCC(=O)N 62a_100009817443_100015185383 [0,1,0,1,0,0|2,0,0]=4 11380 B17R1.451 CN1CCCCC1CSCCCCCC(=O)N 62a_100015185383_100009817443 [0,1,0,1,0,0|2,0,0]=4 11381 B17R1.451 NC(=O)CCCCCNCC1CCCCC1O 34a_100011216029_100009817443 [0,1,0,1,0,0|2,0,0]=4 11382 B17R1.1311 CC(=O)CCCCNCCCC1CCCCC1 34a_100011211642_100009817362 [0,1,0,1,0,0|1,0,0]=3 11383 B17R1.1311 CC(=O)CCCCNCCOC1CCCCC1 34a_100015206981_100009817362 [0,1,0,1,0,0|2,0,0]=4 11384 B17R1.1311 CC(=O)CCCCOCCCC1CCCCC1 34a_100000198086_100009817362 [0,1,0,1,0,0|1,0,0]=3 11385 B17R1.1311 CC(=O)CCCCOCCCC1CCCCC1 7a_100000198086_100000735457 [0,1,0,1,0,0|1,0,0]=3 11386 B17R1.1311 CC(=O)CCCCOCCCC1CCCCN1 34a_100011934581_100009817362 [0,1,0,1,0,0|2,0,0]=4 11387 B17R1.1311 CC(=O)CCCCOCCCC1CCCNC1 34a_100150707839_100009817362 [0,1,0,1,0,0|2,0,0]=4 11388 B17R1.1311 CC(=O)CCCCOCCCC1CCNCC1 34a_100016988962_100009817362 [0,1,0,1,0,0|2,0,0]=4 11389 B17R1.1311 CC(=O)CCCCOCCCN1CCCCC1 34a_100000212458_100009817362 [0,1,0,1,0,0|2,0,0]=4 11390 B17R1.1311 CC(=O)CCCCOCCNC1CCCCC1 34a_100000200466_100009817362 [0,1,0,1,0,0|2,0,0]=4 11391 B17R1.1311 CC(=O)CCCCOCCOC1CCCCC1 34a_100011249652_100009817362 [0,1,0,1,0,0|2,0,0]=4 11392 B17R1.1311 CC(=O)CCCCOCCOC1CCCCC1 7a_100011249652_100000735457 [0,1,0,1,0,0|2,0,0]=4 11393 B17R1.1311 CC(=O)CCCCSCCCC1CCCCC1 62a_100000735457_100011713725 [0,1,0,1,0,0|1,0,0]=3 11394 B17R1.1311 CC(=O)CCCCSCCCC1CCCCC1 62a_100011713725_100000735457 [0,1,0,1,0,0|1,0,0]=3 11395 B17R1.1311 CC(=O)CCCCSCCCN1CCCCC1 62a_100000735457_100000007876 [0,1,0,1,0,0|2,0,0]=4 11396 B17R1.1311 CC(=O)CCCCSCCCN1CCCCC1 62a_100132302099_100000735457 [0,1,0,1,0,0|2,0,0]=4 11397 B17R1.1311 CC(=O)CCCCSCCOC1CCCCC1 62a_100000735457_100011211530 [0,1,0,1,0,0|2,0,0]=4 11398 B17R1.1311 CC(=O)CCCCSCCOC1CCCCC1 62a_100011211530_100000735457 [0,1,0,1,0,0|2,0,0]=4 11399 B17R1.1311 CC(=O)CCCNCCCOC1CCCCC1 34a_100000205933_100000685027 [0,1,0,1,0,0|2,0,0]=4 11400 B17R1.1311 CC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100000685027 [0,1,0,1,0,0|1,0,0]=3 11401 B17R1.1311 CC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100011215641 [0,1,0,1,0,0|1,0,0]=3 11402 B17R1.1311 CC(=O)CCCOCCCCC1CCNCC1 34a_100016989291_100000685027 [0,1,0,1,0,0|2,0,0]=4 11403 B17R1.1311 CC(=O)CCOCCCCCN1CCCCC1 7a_100011216611_100000053229 [0,1,0,1,0,0|2,0,0]=4 11404 B17R1.1311 CC(=O)NCCCCCCNC1CCCCC1 270004a_200011996284_100000210434 [0,1,0,1,0,0|2,0,0]=4 11405 B17R1.1311 CC(=O)NCCCCCCNC1CCCCC1 34a_200011996284_100000210327 [0,1,0,1,0,0|2,0,0]=4 11406 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 2230a_200012022750_100000211423 [0,1,0,1,0,0|2,0,0]=4 11407 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 269862a_200012022750_100000211278 [0,1,0,1,0,0|2,0,0]=4 11408 B17R1.1311 CC(=O)NCCCCCNCC1CCCCC1 34a_200012022750_100000211423 [0,1,0,1,0,0|2,0,0]=4 11409 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 2230a_200011368371_100012355289 [0,1,0,1,0,0|2,0,0]=4 11410 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 270004a_200011368371_100011713444 [0,1,0,1,0,0|2,0,0]=4 11411 B17R1.1311 CC(=O)NCCCCNCCC1CCCCC1 34a_200011368371_100011209188 [0,1,0,1,0,0|2,0,0]=4 11412 B17R1.1311 CC(=O)NCCCNCCCC1CCCCC1 34a_100000736810_100011713725 [0,1,0,1,0,0|2,0,0]=4 11413 B17R1.1311 CC(=O)NCCCOCCCC1CCCCC1 34a_100000752032_100011713725 [0,1,0,1,0,0|2,0,0]=4 11414 B17R1.1311 CC(=O)NCCOCCCCC1CCCCC1 7a_100011215267_100000189650 [0,1,0,1,0,0|2,0,0]=4 11415 B17R1.1311 CC(=O)OCCCCCNCC1CCCCC1 2230a_100000210473_100009813381 [0,1,0,1,0,0|2,0,0]=4 11416 B17R1.1311 CC(=O)OCCCCCNCC1CCCCC1 34a_100000210473_100000033007 [0,1,0,1,0,0|2,0,0]=4 11417 B17R1.1311 CC(=O)OCCCCCOCC1CCCCC1 34a_100000212181_100000033007 [0,1,0,1,0,0|2,0,0]=4 11418 B17R1.1311 CC(=O)OCCCCCOCC1CCCCC1 7a_100000212181_100000033007 [0,1,0,1,0,0|2,0,0]=4 11419 B17R1.1311 CC(=O)OCCCCCSCC1CCCCC1 62a_100000033007_100000211423 [0,1,0,1,0,0|2,0,0]=4 11420 B17R1.1311 CC(=O)OCCCCCSCC1CCCCC1 62a_100000211423_100000033007 [0,1,0,1,0,0|2,0,0]=4 11421 B17R1.1311 CC(=O)OCCCCNCCC1CCCCC1 34a_100000738074_100000033659 [0,1,0,1,0,0|2,0,0]=4 11422 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 34a_100000073216_100011209188 [0,1,0,1,0,0|2,0,0]=4 11423 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 34a_100011217863_100000033659 [0,1,0,1,0,0|2,0,0]=4 11424 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 7a_100000073216_100011273959 [0,1,0,1,0,0|2,0,0]=4 11425 B17R1.1311 CC(=O)OCCCCOCCC1CCCCC1 7a_100011217863_100000033659 [0,1,0,1,0,0|2,0,0]=4 11426 B17R1.1311 CC(=O)OCCCCSCCC1CCCCC1 62a_100000033659_100012355289 [0,1,0,1,0,0|2,0,0]=4 11427 B17R1.1311 CC(=O)OCCCCSCCC1CCCCC1 62a_100012355289_100000033659 [0,1,0,1,0,0|2,0,0]=4 11428 B17R1.1311 CC(=O)OCCCNCCCC1CCCCC1 34a_100011211642_100000042594 [0,1,0,1,0,0|2,0,0]=4 11429 B17R1.1311 CC(=O)OCCCOCCCC1CCCCC1 34a_100000198086_100000042594 [0,1,0,1,0,0|2,0,0]=4 11430 B17R1.1311 CC(=O)OCCCOCCCC1CCCCC1 7a_100000198086_100000042594 [0,1,0,1,0,0|2,0,0]=4 11431 B17R1.1311 CC(=O)OCCCSCCCC1CCCCC1 62a_100000042594_100011713725 [0,1,0,1,0,0|2,0,0]=4 11432 B17R1.1311 CC(=O)OCCCSCCCC1CCCCC1 62a_100011713725_100000042594 [0,1,0,1,0,0|2,0,0]=4 11433 B17R1.1311 CC(=O)OCCOCCCCC1CCCCC1 34a_100011215267_100009814007 [0,1,0,1,0,0|2,0,0]=4 11434 B17R1.1311 CC(=O)OCCOCCCCC1CCCCC1 7a_100011215267_100009814007 [0,1,0,1,0,0|2,0,0]=4 11435 B17R1.1311 CC(=O)SCCCCCCNC1CCCCC1 270004a_100000704104_100000210434 [0,1,0,1,0,0|2,0,0]=4 11436 B17R1.1311 CC(=O)SCCCCNCCC1CCCCC1 2230a_100000738074_200010402107 [0,1,0,1,0,0|2,0,0]=4 11437 B17R1.1311 CC(=O)SCCCCNCCC1CCCCC1 34a_100000738074_200010402107 [0,1,0,1,0,0|2,0,0]=4 11438 B17R1.1311 CC(=O)SCCCCOCCC1CCCCC1 34a_100011217863_200010402107 [0,1,0,1,0,0|2,0,0]=4 11439 B17R1.1311 CC(=O)SCCCCOCCC1CCCCC1 7a_100011217863_200010402107 [0,1,0,1,0,0|2,0,0]=4 11440 B17R1.1311 CC(=O)SCCCCSCCC1CCCCC1 62a_100012355289_200010402107 [0,1,0,1,0,0|2,0,0]=4 11441 B17R1.1311 CC(=O)SCCCCSCCC1CCCCC1 62a_200010402107_100012355289 [0,1,0,1,0,0|2,0,0]=4 11442 B17R1.1311 CC(=O)SCCCNCCCC1CCCCC1 2230a_100011211642_100000038929 [0,1,0,1,0,0|2,0,0]=4 11443 B17R1.1311 CC(=O)SCCCNCCCC1CCCCC1 34a_100011211642_100000038929 [0,1,0,1,0,0|2,0,0]=4 11444 B17R1.1311 CC(=O)SCCCOCCCC1CCCCC1 34a_100000198086_100000038929 [0,1,0,1,0,0|2,0,0]=4 11445 B17R1.1311 CC(=O)SCCCOCCCC1CCCCC1 7a_100000198086_100000038929 [0,1,0,1,0,0|2,0,0]=4 11446 B17R1.1311 CC(=O)SCCCSCCCC1CCCCC1 62a_100000038929_100011713725 [0,1,0,1,0,0|2,0,0]=4 11447 B17R1.1311 CC(=O)SCCCSCCCC1CCCCC1 62a_100011713725_100000038929 [0,1,0,1,0,0|2,0,0]=4 11448 B17R1.1311 CC(O)CCCOCCCCC1CCCCC1 34a_100011215267_200000718107 [0,1,0,1,0,0|1,0,1]=4 11449 B17R1.1311 CC(O)CCCOCCCCC1CCCCC1 7a_100011215267_200000718107 [0,1,0,1,0,0|1,0,1]=4 11450 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 2230a_100000738074_100009817443 [0,1,0,1,0,0|1,0,0]=3 11451 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 34a_100000738074_100009817443 [0,1,0,1,0,0|1,0,0]=3 11452 B17R1.1311 NC(=O)CCCCCNCCC1CCCCO1 2230a_100015183643_100009817443 [0,1,0,1,0,0|2,0,0]=4 11453 B17R1.1311 NC(=O)CCCCCNCCC1CCCCO1 34a_100015183643_100009817443 [0,1,0,1,0,0|2,0,0]=4 11454 B17R1.1311 NC(=O)CCCCCNCCC1CCOCC1 2230a_100000755988_100009817443 [0,1,0,1,0,0|2,0,0]=4 11455 B17R1.1311 NC(=O)CCCCCNCCC1CCOCC1 34a_100000755988_100009817443 [0,1,0,1,0,0|2,0,0]=4 11456 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100000123541_100011209188 [0,1,0,1,0,0|1,0,0]=3 11457 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100011217863_100009817443 [0,1,0,1,0,0|1,0,0]=3 11458 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100000123541_100011273959 [0,1,0,1,0,0|1,0,0]=3 11459 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100011217863_100009817443 [0,1,0,1,0,0|1,0,0]=3 11460 B17R1.1311 NC(=O)CCCCCOCCC1CCCCN1 34a_100000211664_100009817443 [0,1,0,1,0,0|2,0,0]=4 11461 B17R1.1311 NC(=O)CCCCCOCCC1CCCNC1 34a_100000752241_100009817443 [0,1,0,1,0,0|2,0,0]=4 11462 B17R1.1311 NC(=O)CCCCCOCCC1CCNCC1 34a_100015190746_100009817443 [0,1,0,1,0,0|2,0,0]=4 11463 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 34a_100000123541_100011934994 [0,1,0,1,0,0|2,0,0]=4 11464 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 34a_100011933979_100009817443 [0,1,0,1,0,0|2,0,0]=4 11465 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 7a_100000123541_100011934994 [0,1,0,1,0,0|2,0,0]=4 11466 B17R1.1311 NC(=O)CCCCCOCCC1CCOCC1 7a_100011933979_100009817443 [0,1,0,1,0,0|2,0,0]=4 11467 B17R1.1311 NC(=O)CCCCCOCCN1CCCCC1 34a_100000123541_100000739454 [0,1,0,1,0,0|2,0,0]=4 11468 B17R1.1311 NC(=O)CCCCCOCCN1CCCCC1 7a_100000123541_100000739454 [0,1,0,1,0,0|2,0,0]=4 11469 B17R1.1311 NC(=O)CCCCCOCOC1CCCCC1 34a_100000123541_100011935260 [0,1,0,1,0,0|2,0,0]=4 11470 B17R1.1311 NC(=O)CCCCCOCOC1CCCCC1 7a_100000123541_100011935260 [0,1,0,1,0,0|2,0,0]=4 11471 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100009817443_100012355289 [0,1,0,1,0,0|1,0,0]=3 11472 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100012355289_100009817443 [0,1,0,1,0,0|1,0,0]=3 11473 B17R1.1311 NC(=O)CCCCCSCCC1CCOCC1 62a_100009817443_100011934994 [0,1,0,1,0,0|2,0,0]=4 11474 B17R1.1311 NC(=O)CCCCCSCCC1CCOCC1 62a_100011934994_100009817443 [0,1,0,1,0,0|2,0,0]=4 11475 B17R1.1311 NC(=O)CCCCCSCCN1CCCCC1 62a_100000739454_100009817443 [0,1,0,1,0,0|2,0,0]=4 11476 B17R1.1311 NC(=O)CCCCCSCCN1CCCCC1 62a_100009817443_100000739454 [0,1,0,1,0,0|2,0,0]=4 11477 B17R1.1311 NC(=O)CCCCCSCOC1CCCCC1 62a_100009817443_100011935260 [0,1,0,1,0,0|2,0,0]=4 11478 B17R1.1311 NC(=O)CCCCCSCOC1CCCCC1 62a_100011935260_100009817443 [0,1,0,1,0,0|2,0,0]=4 11479 B17R1.1311 NC(=O)CCCCNCCCC1CCCCC1 34a_100000696515_100011713725 [0,1,0,1,0,0|1,0,0]=3 11480 B17R1.1311 NC(=O)CCCCNCCCN1CCCCC1 34a_100000696515_100000690320 [0,1,0,1,0,0|2,0,0]=4 11481 B17R1.1311 NC(=O)CCCCNCCOC1CCCCC1 34a_100000696515_100011211530 [0,1,0,1,0,0|2,0,0]=4 11482 B17R1.1311 NC(=O)CCCCOCCCC1CCCCC1 34a_100012022536_100011713725 [0,1,0,1,0,0|1,0,0]=3 11483 B17R1.1311 NC(=O)CCCCOCCCC1CCCCC1 7a_100012022536_100011713725 [0,1,0,1,0,0|1,0,0]=3 11484 B17R1.1311 NC(=O)CCCCOCCCN1CCCCC1 34a_100012022536_100000690320 [0,1,0,1,0,0|2,0,0]=4 11485 B17R1.1311 NC(=O)CCCCOCCCN1CCCCC1 7a_100012022536_100000007876 [0,1,0,1,0,0|2,0,0]=4 11486 B17R1.1311 NC(=O)CCCCOCCOC1CCCCC1 34a_100012022536_100011211530 [0,1,0,1,0,0|2,0,0]=4 11487 B17R1.1311 NC(=O)CCCCOCCOC1CCCCC1 7a_100012022536_100011211530 [0,1,0,1,0,0|2,0,0]=4 11488 B17R1.1311 NC(=O)CCCNCCCOC1CCCCC1 34a_100000205933_100102525003 [0,1,0,1,0,0|2,0,0]=4 11489 B17R1.1311 NC(=O)CCCOCCCCC1CCCCC1 34a_100011215267_100102525003 [0,1,0,1,0,0|1,0,0]=3 11490 B17R1.1311 NC(=O)CCCOCCCCC1CCCCC1 7a_100011215267_100102525003 [0,1,0,1,0,0|1,0,0]=3 11491 B17R1.1311 NC(=O)CCCOCCCCC1CCNCC1 34a_100016989291_100102525003 [0,1,0,1,0,0|2,0,0]=4 11492 B17R1.1311 NC(=O)CCOCCCCCN1CCCCC1 34a_100011216611_100000731001 [0,1,0,1,0,0|2,0,0]=4 11493 B17R1.1311 NC(=O)CCOCCCCCN1CCCCC1 7a_100011216611_100000744528 [0,1,0,1,0,0|2,0,0]=4 11494 B17R1.1311 NC(=O)COCCNCCCC1CCCCC1 2230a_100011211642_100000076697 [0,1,0,1,0,0|2,0,0]=4 11495 B17R1.1311 NC(=O)COCCNCCCC1CCCCC1 34a_100011211642_100000076697 [0,1,0,1,0,0|2,0,0]=4 11496 B17R1.1311 NC(=O)COCCOCCCC1CCCCC1 34a_100000198086_100000076697 [0,1,0,1,0,0|2,0,0]=4 11497 B17R1.1311 NC(=O)COCCOCCCC1CCCCC1 7a_100000198086_100000076697 [0,1,0,1,0,0|2,0,0]=4 11498 B17R1.1311 NC(=O)COCCSCCCC1CCCCC1 62a_100000076697_100011713725 [0,1,0,1,0,0|2,0,0]=4 11499 B17R1.1311 NC(=O)COCCSCCCC1CCCCC1 62a_100011713725_100000076697 [0,1,0,1,0,0|2,0,0]=4 11500 B17R1.1311 NC(=O)NCCOCCCCC1CCCCC1 7a_100011215267_200000034859 [0,1,0,1,0,0|2,0,0]=4 11501 B17R1.1311 NC(=O)OCCOCCCCC1CCCCC1 34a_100011215267_200011214921 [0,1,0,1,0,0|2,0,0]=4 11502 B17R1.1311 NC(=O)OCCOCCCCC1CCCCC1 7a_100011215267_200011214921 [0,1,0,1,0,0|2,0,0]=4 11503 B17R1.1311 O=C(O)COCCNCCCC1CCCCC1 269956a_100000700818_100011713725 [0,1,0,1,0,0|1,0,0]=3 11504 B17R1.1311 O=C(O)COCCNCCCN1CCCCC1 269956a_100000700818_100000007876 [0,1,0,1,0,0|2,0,0]=4 11505 B17R1.1311 O=C(O)COCCNCCOC1CCCCC1 269956a_100000700818_100011211530 [0,1,0,1,0,0|2,0,0]=4 11506 B17R1.1311 O=C(O)COCCOCCNC1CCCCC1 269956a_100009854275_100000210327 [0,1,0,1,0,0|2,0,0]=4 11507 B17R1.1311 O=C([O-])CCCCCOCCC1CCCCC1 7a_100102619762_100011273959 [0,1,0,1,0,0|0,0,1]=3 11508 B17R1.1311 O=C([O-])CCCCCOCCC1CCOCC1 7a_100102619762_100011934994 [0,1,0,1,0,0|1,0,1]=4 11509 B17R1.1311 O=C([O-])CCCCCOCCN1CCCCC1 7a_100102619762_100000739454 [0,1,0,1,0,0|1,0,1]=4 11510 B17R1.1311 O=C([O-])CCCCCOCOC1CCCCC1 7a_100102619762_100011935260 [0,1,0,1,0,0|1,0,1]=4 11511 B17R1.1311 O=[N+]([O-])CCCCOCCCC1CCCCC1 34a_200015379883_100011713725 [0,1,0,1,0,0|1,0,1]=4 11512 B17R1.1311 O=[N+]([O-])CCCCOCCCC1CCCCC1 7a_200015379883_100011713725 [0,1,0,1,0,0|1,0,1]=4 11513 B17R1.1311 OB(O)CCCCCCNCC1CCCCC1 2230a_100000210473_100009817187 [0,1,0,1,0,0|1,0,1]=4 11514 B17R1.1311 OB(O)CCCCCCNCC1CCCCC1 34a_100000210473_100009817187 [0,1,0,1,0,0|1,0,1]=4 11515 B17R1.1311 OB(O)CCCCCCOCC1CCCCC1 34a_100000212181_100009817187 [0,1,0,1,0,0|1,0,1]=4 11516 B17R1.1311 OB(O)CCCCCCOCC1CCCCC1 7a_100000212181_100009817187 [0,1,0,1,0,0|1,0,1]=4 11517 B17R1.1311 OB(O)CCCCCCSCC1CCCCC1 62a_100000211423_100009817187 [0,1,0,1,0,0|1,0,1]=4 11518 B17R1.1311 OB(O)CCCCCCSCC1CCCCC1 62a_100009817187_100000211423 [0,1,0,1,0,0|1,0,1]=4 11519 B17R1.1311 OB(O)CCCCCNCCC1CCCCC1 2230a_100000738074_200009817188 [0,1,0,1,0,0|1,0,1]=4 11520 B17R1.1311 OB(O)CCCCCNCCC1CCCCC1 34a_100000738074_200009817188 [0,1,0,1,0,0|1,0,1]=4 11521 B17R1.1311 OB(O)CCCCCOCCC1CCCCC1 34a_100011217863_200009817188 [0,1,0,1,0,0|1,0,1]=4 11522 B17R1.1311 OB(O)CCCCCOCCC1CCCCC1 7a_100011217863_200009817188 [0,1,0,1,0,0|1,0,1]=4 11523 B17R1.1311 OB(O)CCCCCSCCC1CCCCC1 62a_100012355289_200009817188 [0,1,0,1,0,0|1,0,1]=4 11524 B17R1.1311 OB(O)CCCCCSCCC1CCCCC1 62a_200009817188_100012355289 [0,1,0,1,0,0|1,0,1]=4 11525 B17R1.1311 OB(O)CCCCNCCCC1CCCCC1 2230a_100011211642_200009817182 [0,1,0,1,0,0|1,0,1]=4 11526 B17R1.1311 OB(O)CCCCNCCCC1CCCCC1 34a_100011211642_200009817182 [0,1,0,1,0,0|1,0,1]=4 11527 B17R1.1311 OB(O)CCCCOCCCC1CCCCC1 34a_100000198086_200009817182 [0,1,0,1,0,0|1,0,1]=4 11528 B17R1.1311 OB(O)CCCCOCCCC1CCCCC1 7a_100000198086_200009817182 [0,1,0,1,0,0|1,0,1]=4 11529 B17R1.1311 OB(O)CCCCSCCCC1CCCCC1 62a_100011713725_200009817182 [0,1,0,1,0,0|1,0,1]=4 11530 B17R1.1311 OB(O)CCCCSCCCC1CCCCC1 62a_200009817182_100011713725 [0,1,0,1,0,0|1,0,1]=4 11531 B17R1.1558 CCCCC(C)CCCCOC1COC(=O)O1 34a_200011021034_100000032252 [0,1,0,1,0,0|2,0,0]=4 11532 B17R1.1586 CCCCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_200011215066 [0,1,0,1,0,0|1,0,0]=3 11533 B17R1.4902 CCCCC(C)CCCCOCC1CC(=O)C1 7a_200011021034_100009874392 [0,1,0,1,0,0|2,0,0]=4 11534 B17R1.8221 CC(C)CCCCCCCOC1COC(=O)O1 34a_200000210741_100000032252 [0,1,0,1,0,0|2,0,0]=4 11535 B17R1.8221 CC(C)CCCCCCNCC1CNC(=O)O1 2230a_100000211014_100000181169 [0,1,0,1,0,0|2,0,0]=4 11536 B17R1.8221 CC(C)CCCCCCNCC1CNC(=O)O1 34a_100000211014_100000181169 [0,1,0,1,0,0|2,0,0]=4 11537 B17R1.8221 CC(C)CCCCCCNCC1COC(=O)O1 34a_100000211014_100000073702 [0,1,0,1,0,0|2,0,0]=4 11538 B17R1.8221 CC(C)CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000211014_100015189358 [0,1,0,1,0,0|2,0,0]=4 11539 B17R1.9097 CC1CCC(C(C1)OCCCCCC(=O)N)C 34a_100011217446_100009817443 [0,1,0,1,0,0|2,0,0]=4 11540 B17R1.9097 CC1CCC(C(C1)OCCCCCC(=O)N)C 7a_100011217446_100009817443 [0,1,0,1,0,0|2,0,0]=4 11541 B17R1.103490 NC(=O)CCCCCNCCC1(CCCC1)O 34a_100000719956_100009817443 [0,1,0,1,0,0|2,0,0]=4 11542 B17R1.29 CCC1CCCC(C1)OCCCCCC(=O)N 7a_100011985506_100009817443 [0,1,0,1,0,0|2,0,0]=4 11543 B17R1.53 CC1CCCC(C1C)NCCCCCC(=O)N 2230a_100000211273_100009817443 [0,1,0,1,0,0|2,0,0]=4 11544 B17R1.53 CC1CCCC(C1C)NCCCCCC(=O)N 34a_100000211273_100009817443 [0,1,0,1,0,0|2,0,0]=4 11545 B17R1.53 CC1CCCC(C1C)OCCCCCC(=O)N 34a_100011217532_100009817443 [0,1,0,1,0,0|2,0,0]=4 11546 B17R1.53 CC1CCCC(C1C)OCCCCCC(=O)N 7a_100011217532_100009817443 [0,1,0,1,0,0|2,0,0]=4 11547 B17R1.1113 CC(=O)CCCCNCCC1CCC(CC1)O 34a_200011935226_100009817362 [0,1,0,1,0,0|2,0,0]=4 11548 B17R1.1113 CC(=O)CCCCOCCC1CCC(CC1)N 34a_100000070672_100009817362 [0,1,0,1,0,0|2,0,0]=4 11549 B17R1.1113 CC1CCC(CC1)CNCCCCCC(=O)N 2230a_103436935547_100009817443 [0,1,0,1,0,0|2,0,0]=4 11550 B17R1.1113 CC1CCC(CC1)CNCCCCCC(=O)N 34a_103436935547_100009817443 [0,1,0,1,0,0|2,0,0]=4 11551 B17R1.1113 CC1CCC(CC1)COCCCCCC(=O)N 34a_100000701341_100009817443 [0,1,0,1,0,0|2,0,0]=4 11552 B17R1.1113 NC(=O)CCCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009817443 [0,1,0,1,0,0|2,0,0]=4 11553 B17R1.1157 CCC(C)CCCCCOCC1CNC(=O)O1 7a_200000035636_100000181169 [0,1,0,1,0,0|2,0,0]=4 11554 B17R1.1157 CCC(C)CCCCCOC[C@@H]1CCC(=O)N1 7a_200000035636_100015189358 [0,1,0,1,0,0|2,0,0]=4 11555 B17R1.1227 CCC(C)C1CCCCC1NCCCC(=O)N 269862a_100000739312_100011216798 [0,1,0,1,0,0|2,0,0]=4 11556 B17R1.16396 NC(=O)CCCCCCCCCCN1CCC1 269982a_100000754969_200010167045 [0,1,0,1,0,0|1,0,0]=3 11557 B17R1.23999 CCC(=O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000747405 [0,1,0,1,0,0|1,0,1]=4 11558 B17R1.23999 CCC(C)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000748023 [0,1,0,1,0,0|1,0,0]=3 11559 B17R1.23999 CCC(O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218378 [0,1,0,1,0,0|1,0,0]=3 11560 B17R1.23999 CC[C@H](C)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009816398 [0,1,0,1,0,0|1,0,0]=3 11561 B17R1.23999 C[C@@H](CO)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000059175 [0,1,0,1,0,0|2,0,0]=4 11562 B17R1.23999 O=C(O)[C@H]1CCCCCC[C@H]1NCC(O)CO 269956a_200049070474_100011219619 [0,1,0,1,0,0|2,0,0]=4 11563 B17R1.23999 O=C(O)[C@H]1CCCCCC[C@H]1NC[C@@H](O)CF 269956a_200049070474_100015614560 [0,1,0,1,0,0|2,0,0]=4 11564 B17R1.23999 O=C(O)[C@H]1CCCCCC[C@H]1NC[C@@H](O)CO 269956a_200049070474_100009815848 [0,1,0,1,0,0|2,0,0]=4 11565 B17R1.24151 COC(=O)CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100010282707 [0,1,0,1,0,0|2,0,0]=4 11566 B17R1.24151 COC(=O)CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100010282707 [0,1,0,1,0,0|2,0,0]=4 11567 B17R1.24151 COC(=O)CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100010282707 [0,1,0,1,0,0|2,0,0]=4 11568 B17R1.24151 COC(=O)CCCCCCCOCC1CC1C 34a_100000744939_100010004213 [0,1,0,1,0,0|1,0,0]=3 11569 B17R1.24151 COC(=O)CCCCCCCOCC1CC1C 7a_100000744939_100010004213 [0,1,0,1,0,0|1,0,0]=3 11570 B17R1.24156 CCN(C)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100015186262 [0,1,0,1,0,0|2,0,0]=4 11571 B17R1.26443 CCN(C)CCCN1CCCCCC1C(=O)O 269956a_100000758484_100015186262 [0,1,0,1,0,0|2,0,0]=4 11572 B17R1.26687 COC(=O)CCCCCCCCCNC1CC1 34a_100000212008_100009813843 [0,1,0,1,0,0|1,0,0]=3 11573 B17R1.26687 COC(=O)CCCCCCCCNCC1CC1 2230a_100000735609_100010282707 [0,1,0,1,0,0|1,0,0]=3 11574 B17R1.26687 COC(=O)CCCCCCCCNCC1CC1 34a_100000735609_100010282707 [0,1,0,1,0,0|1,0,0]=3 11575 B17R1.26687 COC(=O)CCCCCCCCOCC1CC1 34a_100000035544_100000742324 [0,1,0,1,0,0|1,0,0]=3 11576 B17R1.26687 COC(=O)CCCCCCCCOCC1CC1 34a_100000211283_100010282707 [0,1,0,1,0,0|1,0,0]=3 11577 B17R1.26687 COC(=O)CCCCCCCCOCC1CC1 7a_100000035544_100000742324 [0,1,0,1,0,0|1,0,0]=3 11578 B17R1.26687 COC(=O)CCCCCCCCOCC1CO1 34a_100000035544_102125554688 [0,1,0,1,0,0|2,0,0]=4 11579 B17R1.26687 COC(=O)CCCCCCCCOCC1CO1 7a_100000035544_102125554688 [0,1,0,1,0,0|2,0,0]=4 11580 B17R1.26687 COC(=O)CCCCCCCCOCC1CS1 7a_100000035544_100000031435 [0,1,0,1,0,0|2,0,0]=4 11581 B17R1.26687 COC(=O)CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100010282707 [0,1,0,1,0,0|2,0,0]=4 11582 B17R1.26687 COC(=O)CCCCCCCCOC[C@@H]1CO1 7a_100000035544_100000745022 [0,1,0,1,0,0|2,0,0]=4 11583 B17R1.26687 COC(=O)CCCCCCCCSCC1CC1 62a_100000756562_100010282707 [0,1,0,1,0,0|1,0,0]=3 11584 B17R1.26687 COC(=O)CCCCCCCCSCC1CC1 62a_100010282707_100000742324 [0,1,0,1,0,0|1,0,0]=3 11585 B17R1.26687 COC(=O)CCCCCCCCSCC1CO1 62a_100010282707_102125554688 [0,1,0,1,0,0|2,0,0]=4 11586 B17R1.26687 COC(=O)CCCCCCCCSCC1CO1 62a_102125554688_100010282707 [0,1,0,1,0,0|2,0,0]=4 11587 B17R1.26687 COC(=O)CCCCCCCCSCC1CS1 62a_100000031435_100010282707 [0,1,0,1,0,0|2,0,0]=4 11588 B17R1.26687 COC(=O)CCCCCCCCSCC1CS1 62a_100010282707_100000031435 [0,1,0,1,0,0|2,0,0]=4 11589 B17R1.26687 COC(=O)CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100010282707 [0,1,0,1,0,0|2,0,0]=4 11590 B17R1.26687 COC(=O)CCCCCCCCSC[C@@H]1CO1 62a_100010282707_100000745022 [0,1,0,1,0,0|2,0,0]=4 11591 B17R1.26687 COC(=O)CCCCCCCNCCC1CC1 34a_100000764129_100010004213 [0,1,0,1,0,0|1,0,0]=3 11592 B17R1.26687 COC(=O)CCCCCCCOCCC1CC1 34a_100000754188_100010004213 [0,1,0,1,0,0|1,0,0]=3 11593 B17R1.26687 COC(=O)CCCCCCCOCCC1CC1 34a_100011022521_100000694398 [0,1,0,1,0,0|1,0,0]=3 11594 B17R1.26687 COC(=O)CCCCCCCOCCC1CC1 7a_100000754188_100010004213 [0,1,0,1,0,0|1,0,0]=3 11595 B17R1.26687 COC(=O)CCCCCCCOCCC1CC1 7a_100011022521_100000764125 [0,1,0,1,0,0|1,0,0]=3 11596 B17R1.26687 COC(=O)CCCCCCCOCCC1CO1 34a_100011022521_100000732470 [0,1,0,1,0,0|2,0,0]=4 11597 B17R1.26687 COC(=O)CCCCCCCOCCC1CO1 7a_100011022521_100000732470 [0,1,0,1,0,0|2,0,0]=4 11598 B17R1.26687 COC(=O)CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100010004213 [0,1,0,1,0,0|2,0,0]=4 11599 B17R1.26687 COC(=O)CCCCCCCSCCC1CC1 62a_100000764125_100010004213 [0,1,0,1,0,0|1,0,0]=3 11600 B17R1.26687 COC(=O)CCCCCCCSCCC1CC1 62a_100010004213_100000764125 [0,1,0,1,0,0|1,0,0]=3 11601 B17R1.26687 COC(=O)CCCCCCCSCCC1CO1 62a_100000732470_100010004213 [0,1,0,1,0,0|2,0,0]=4 11602 B17R1.26687 COC(=O)CCCCCCCSCCC1CO1 62a_100010004213_100000732470 [0,1,0,1,0,0|2,0,0]=4 11603 B17R1.26687 COC(=O)CCCCCCOCCCC1CO1 34a_100009863599_100000733510 [0,1,0,1,0,0|2,0,0]=4 11604 B17R1.26687 COC(=O)CCCCCCOCCCC1CO1 7a_100009863599_100000733510 [0,1,0,1,0,0|2,0,0]=4 11605 B17R1.26687 COC(=O)CCCCCCOCCNC1CC1 34a_100000738766_100009815986 [0,1,0,1,0,0|2,0,0]=4 11606 B17R1.26687 COC(=O)CCCCCCSCCCC1CO1 62a_100000733510_100009815986 [0,1,0,1,0,0|2,0,0]=4 11607 B17R1.26687 COC(=O)CCCCCCSCCCC1CO1 62a_100009815986_100000733510 [0,1,0,1,0,0|2,0,0]=4 11608 B17R1.305 CCCCCCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210314 [0,1,0,1,0,0|2,0,0]=4 11609 B17R1.305 CCCCCCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210757 [0,1,0,1,0,0|2,0,0]=4 11610 B17R1.305 CCCCCCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210314 [0,1,0,1,0,0|2,0,0]=4 11611 B17R1.679 CC(=O)CCCCOC[C@H](N)C1CCCCC1 34a_100009817630_100009817362 [0,1,0,1,0,0|2,0,0]=4 11612 B17R1.679 CC(=O)CCCOCCC(N)C1CCCCC1 34a_200020622111_100000685027 [0,1,0,1,0,0|2,0,0]=4 11613 B17R1.679 CC(OCCCCCC(=O)N)C1CCCCC1 34a_100011216961_100009817443 [0,1,0,1,0,0|2,0,0]=4 11614 B17R1.679 CC(OCCCCCC(=O)N)C1CCCCC1 7a_100011216961_100009817443 [0,1,0,1,0,0|2,0,0]=4 11615 B17R1.679 C[C@@H](NCCCCCC(=O)N)C1CCCCC1 2230a_100025707633_100009817443 [0,1,0,1,0,0|2,0,0]=4 11616 B17R1.679 C[C@@H](NCCCCCC(=O)N)C1CCCCC1 34a_100025707633_100009817443 [0,1,0,1,0,0|2,0,0]=4 11617 B17R1.679 NC(=O)CCCOCCC(N)C1CCCCC1 34a_200020622111_100102525003 [0,1,0,1,0,0|2,0,0]=4 11618 B17R1.742 CCCCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_100011215978 [0,1,0,1,0,0|2,0,0]=4 11619 B17R1.5078 CCCCCCC(C)CCOCC1CC(=O)C1 7a_200011024964_100009874392 [0,1,0,1,0,0|2,0,0]=4 11620 B17R1.5105 CCCCCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210757 [0,1,0,1,0,0|1,0,1]=4 11621 B17R1.5105 CCCCCCC(C)N1CCCCC1C(=O)N 2230a_100000181395_100011215978 [0,1,0,1,0,0|2,0,0]=4 11622 B17R1.5105 CCCCCCC(C)N1CCCCC1C(=O)N 269982a_100000181395_100011215978 [0,1,0,1,0,0|2,0,0]=4 11623 B17R1.5105 CCCCCCC(C)N1CCCCC1C(=O)N 270004a_100000181395_100000210826 [0,1,0,1,0,0|2,0,0]=4 11624 B17R1.5105 CCCCCCC(C)N1CCCCC1C(=O)N 34a_100000181395_100011215978 [0,1,0,1,0,0|2,0,0]=4 11625 B17R1.5105 CCCCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215978 [0,1,0,1,0,0|1,0,0]=3 11626 B17R1.5105 CCCCCCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215978 [0,1,0,1,0,0|2,0,0]=4 11627 B17R1.5105 CCCCCCC(C)N1CCSCC1C(=O)O 269956a_100011346106_100011215978 [0,1,0,1,0,0|2,0,0]=4 11628 B17R1.5105 CCCCCCC(C)N1CSCCC1C(=O)O 269956a_100015185162_100011215978 [0,1,0,1,0,0|2,0,0]=4 11629 B17R1.7822 CCCCCCC(C)CCOC1COC(=O)O1 34a_200011024964_100000032252 [0,1,0,1,0,0|2,0,0]=4 11630 B17R1.26240 CC(=O)CCCCOCC1CCCCCCC1 34a_100011216312_100009817362 [0,1,0,1,0,0|1,0,0]=3 11631 B17R1.26240 CC(=O)CCCCOCC1CCCCCCC1 7a_100011216312_100000735457 [0,1,0,1,0,0|1,0,0]=3 11632 B17R1.26240 CC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100000685027 [0,1,0,1,0,0|1,0,0]=3 11633 B17R1.26240 CC(=O)NCCCCNC1CCCCCCC1 270004a_200011368371_100000210524 [0,1,0,1,0,0|2,0,0]=4 11634 B17R1.26240 CC(=O)NCCNCCC1CCCCCCC1 2230a_100011532352_100000189650 [0,1,0,1,0,0|2,0,0]=4 11635 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 2230a_100000211400_100009813381 [0,1,0,1,0,0|2,0,0]=4 11636 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 269982a_100000211400_100000033007 [0,1,0,1,0,0|2,0,0]=4 11637 B17R1.26240 CC(=O)OCCCCCN1CCCCCCC1 34a_100000211400_100000033007 [0,1,0,1,0,0|2,0,0]=4 11638 B17R1.26240 CC(=O)OCCCCNC1CCCCCCC1 34a_100000211152_100000033659 [0,1,0,1,0,0|2,0,0]=4 11639 B17R1.26240 CC(=O)OCCCCOC1CCCCCCC1 34a_100000210054_100000033659 [0,1,0,1,0,0|2,0,0]=4 11640 B17R1.26240 CC(=O)OCCCCOC1CCCCCCC1 7a_100000210054_100000033659 [0,1,0,1,0,0|2,0,0]=4 11641 B17R1.26240 CC(=O)OCCCOCC1CCCCCCC1 34a_100011216312_100000042594 [0,1,0,1,0,0|2,0,0]=4 11642 B17R1.26240 CC(=O)OCCCOCC1CCCCCCC1 7a_100011216312_100000042594 [0,1,0,1,0,0|2,0,0]=4 11643 B17R1.26240 CC(=O)OCCNCCC1CCCCCCC1 34a_100011532352_100009814007 [0,1,0,1,0,0|2,0,0]=4 11644 B17R1.26240 CC(=O)SCCCCNC1CCCCCCC1 2230a_100000211152_200010402107 [0,1,0,1,0,0|2,0,0]=4 11645 B17R1.26240 CC(=O)SCCCCNC1CCCCCCC1 34a_100000211152_200010402107 [0,1,0,1,0,0|2,0,0]=4 11646 B17R1.26240 CC(=O)SCCCCOC1CCCCCCC1 34a_100000210054_200010402107 [0,1,0,1,0,0|2,0,0]=4 11647 B17R1.26240 CC(=O)SCCCCOC1CCCCCCC1 7a_100000210054_200010402107 [0,1,0,1,0,0|2,0,0]=4 11648 B17R1.26240 CC(=O)SCCCOCC1CCCCCCC1 34a_100011216312_100000038929 [0,1,0,1,0,0|2,0,0]=4 11649 B17R1.26240 CC(=O)SCCCOCC1CCCCCCC1 7a_100011216312_100000038929 [0,1,0,1,0,0|2,0,0]=4 11650 B17R1.26240 CC(O)CCCNCCC1CCCCCCC1 2230a_100011532352_200000718107 [0,1,0,1,0,0|1,0,1]=4 11651 B17R1.26240 CC(O)CCCNCCC1CCCCCCC1 34a_100011532352_200000718107 [0,1,0,1,0,0|1,0,1]=4 11652 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 2230a_100000211152_100009817443 [0,1,0,1,0,0|1,0,0]=3 11653 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 34a_100000211152_100009817443 [0,1,0,1,0,0|1,0,0]=3 11654 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 34a_100000210054_100009817443 [0,1,0,1,0,0|1,0,0]=3 11655 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 7a_100000210054_100009817443 [0,1,0,1,0,0|1,0,0]=3 11656 B17R1.26240 NC(=O)CCCNCCC1CCCCCCC1 34a_100011532352_100102525003 [0,1,0,1,0,0|1,0,0]=3 11657 B17R1.26240 NC(=O)COCCOCC1CCCCCCC1 34a_100011216312_100000076697 [0,1,0,1,0,0|2,0,0]=4 11658 B17R1.26240 NC(=O)COCCOCC1CCCCCCC1 7a_100011216312_100000076697 [0,1,0,1,0,0|2,0,0]=4 11659 B17R1.26240 NC(=O)NCCNCCC1CCCCCCC1 2230a_100011532352_200000034859 [0,1,0,1,0,0|2,0,0]=4 11660 B17R1.26240 NC(=O)OCCNCCC1CCCCCCC1 34a_100011532352_200011214921 [0,1,0,1,0,0|2,0,0]=4 11661 B17R1.26240 OB(O)CCCCCCN1CCCCCCC1 2230a_100000211400_100009817187 [0,1,0,1,0,0|1,0,1]=4 11662 B17R1.26240 OB(O)CCCCCCN1CCCCCCC1 269982a_100000211400_100009817187 [0,1,0,1,0,0|1,0,1]=4 11663 B17R1.26240 OB(O)CCCCCCN1CCCCCCC1 34a_100000211400_100009817187 [0,1,0,1,0,0|1,0,1]=4 11664 B17R1.26240 OB(O)CCCCCNC1CCCCCCC1 2230a_100000211152_200009817188 [0,1,0,1,0,0|1,0,1]=4 11665 B17R1.26240 OB(O)CCCCCNC1CCCCCCC1 34a_100000211152_200009817188 [0,1,0,1,0,0|1,0,1]=4 11666 B17R1.26240 OB(O)CCCCCOC1CCCCCCC1 34a_100000210054_200009817188 [0,1,0,1,0,0|1,0,1]=4 11667 B17R1.26240 OB(O)CCCCCOC1CCCCCCC1 7a_100000210054_200009817188 [0,1,0,1,0,0|1,0,1]=4 11668 B17R1.26240 OB(O)CCCCOCC1CCCCCCC1 34a_100011216312_200009817182 [0,1,0,1,0,0|1,0,1]=4 11669 B17R1.26240 OB(O)CCCCOCC1CCCCCCC1 7a_100011216312_200009817182 [0,1,0,1,0,0|1,0,1]=4 11670 B17R1.103500 CC1(CCCCCC1)NCCCCCC(=O)N 2230a_100000704638_100009817443 [0,1,0,1,0,0|2,0,0]=4 11671 B17R1.103500 CC1(CCCCCC1)NCCCCCC(=O)N 34a_100000704638_100009817443 [0,1,0,1,0,0|2,0,0]=4 11672 B17R1.103500 CC1(CCCCCC1)OCCCCCC(=O)N 34a_100000708895_100009817443 [0,1,0,1,0,0|2,0,0]=4 11673 B17R1.103500 CC1(CCCCCC1)OCCCCCC(=O)N 7a_100000708895_100009817443 [0,1,0,1,0,0|2,0,0]=4 11674 B17R1.11 CCCCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100011214924 [0,1,0,1,0,0|2,0,0]=4 11675 B17R1.11 CCCCCCCCCNC1CCC(=O)NC1 34a_100000748762_100011214924 [0,1,0,1,0,0|2,0,0]=4 11676 B17R1.11 CCCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100011214924 [0,1,0,1,0,0|2,0,0]=4 11677 B17R1.11 CCCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210328 [0,1,0,1,0,0|2,0,0]=4 11678 B17R1.11 CCCCCCCCCOC1CCC(=O)NC1 34a_100000079199_100011214924 [0,1,0,1,0,0|2,0,0]=4 11679 B17R1.11 CCCCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210759 [0,1,0,1,0,0|2,0,0]=4 11680 B17R1.23 CCCCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210681 [0,1,0,1,0,0|2,0,0]=4 11681 B17R1.23 CCCCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210614 [0,1,0,1,0,0|2,0,0]=4 11682 B17R1.323 CCCCCCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210314 [0,1,0,1,0,0|2,0,0]=4 11683 B17R1.323 CCCCCCN1CCOCC1CC(=O)OC 34a_100000731486_100000210314 [0,1,0,1,0,0|2,0,0]=4 11684 B17R1.347 CCCC1CCCCC1NCCCC(=O)NC 269862a_100000740002_100011218038 [0,1,0,1,0,0|2,0,0]=4 11685 B17R1.347 CCCC1CCCCC1NCCCC(=O)NC 270004a_100000740002_100011218038 [0,1,0,1,0,0|2,0,0]=4 11686 B17R1.347 CCCC1CCCCC1OCCCC(=O)NC 34a_100011217265_100000741757 [0,1,0,1,0,0|2,0,0]=4 11687 B17R1.347 CCCC1CCCCC1OCCCC(=O)NC 7a_100011217265_100000741757 [0,1,0,1,0,0|2,0,0]=4 11688 B17R1.347 CCCC1CCCCC1OCCCC(=O)OC 34a_100011217265_100000742333 [0,1,0,1,0,0|1,0,0]=3 11689 B17R1.347 CCCC1CCCCC1OCCCC(=O)OC 7a_100011217265_100011218270 [0,1,0,1,0,0|1,0,0]=3 11690 B17R1.347 CCCC1CCCCN1CCCCC(=O)OC 2230a_100000701414_100000204269 [0,1,0,1,0,0|1,0,0]=3 11691 B17R1.347 CCCC1CCCCN1CCCCC(=O)OC 269982a_100000701414_100000204269 [0,1,0,1,0,0|1,0,0]=3 11692 B17R1.347 CCCC1CCCCN1CCCCC(=O)OC 34a_100000701414_100000204269 [0,1,0,1,0,0|1,0,0]=3 11693 B17R1.347 CCCC1CCCCN1CCOCC(=O)OC 2230a_100000701414_100000090808 [0,1,0,1,0,0|2,0,0]=4 11694 B17R1.347 CCCC1CCCCN1CCOCC(=O)OC 34a_100000701414_100000090808 [0,1,0,1,0,0|2,0,0]=4 11695 B17R1.347 CCCC1COCCN1CCCCC(=O)OC 2230a_102495339903_100000204269 [0,1,0,1,0,0|2,0,0]=4 11696 B17R1.347 CCCC1COCCN1CCCCC(=O)OC 269982a_102495339903_100000204269 [0,1,0,1,0,0|2,0,0]=4 11697 B17R1.347 CCCC1COCCN1CCCCC(=O)OC 34a_102495339903_100000204269 [0,1,0,1,0,0|2,0,0]=4 11698 B17R1.347 COC(=O)CCCCN1CCCCC1CCO 2230a_100000211664_100000204269 [0,1,0,1,0,0|2,0,0]=4 11699 B17R1.347 COC(=O)CCCCN1CCCCC1CCO 269982a_100000211664_100000204269 [0,1,0,1,0,0|2,0,0]=4 11700 B17R1.347 COC(=O)CCCCN1CCCCC1CCO 34a_100000211664_100000204269 [0,1,0,1,0,0|2,0,0]=4 11701 B17R1.347 COCC1CCCCN1CCCCC(=O)OC 2230a_100015184032_100000204269 [0,1,0,1,0,0|2,0,0]=4 11702 B17R1.347 COCC1CCCCN1CCCCC(=O)OC 269982a_100015184032_100000204269 [0,1,0,1,0,0|2,0,0]=4 11703 B17R1.347 COCC1CCCCN1CCCCC(=O)OC 34a_100015184032_100000204269 [0,1,0,1,0,0|2,0,0]=4 11704 B17R1.361 CCCN1CCCC1COCCCC(=O)OC 34a_200000694710_100000742333 [0,1,0,1,0,0|2,0,0]=4 11705 B17R1.361 CCCN1CCCC1COCCCC(=O)OC 7a_200000694710_100011218270 [0,1,0,1,0,0|2,0,0]=4 11706 B17R1.361 COC[C@@H]1CCCN1CCCCCC(=O)OC 2230a_100020646714_100009816466 [0,1,0,1,0,0|2,0,0]=4 11707 B17R1.361 COC[C@@H]1CCCN1CCCCCC(=O)OC 269982a_100020646714_100009816466 [0,1,0,1,0,0|2,0,0]=4 11708 B17R1.361 COC[C@@H]1CCCN1CCCCCC(=O)OC 34a_100020646714_100009816466 [0,1,0,1,0,0|2,0,0]=4 11709 B17R1.1158 CNC(=O)CCCNCCCC1CCCCC1 2230a_100000740002_100011713725 [0,1,0,1,0,0|2,0,0]=4 11710 B17R1.1158 CNC(=O)CCCNCCCC1CCCCC1 2230a_100011211642_100000741757 [0,1,0,1,0,0|2,0,0]=4 11711 B17R1.1158 CNC(=O)CCCNCCCC1CCCCC1 34a_100000740002_100011713725 [0,1,0,1,0,0|2,0,0]=4 11712 B17R1.1158 CNC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000741757 [0,1,0,1,0,0|2,0,0]=4 11713 B17R1.1158 CNC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000741757 [0,1,0,1,0,0|2,0,0]=4 11714 B17R1.1158 CNC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100000741757 [0,1,0,1,0,0|2,0,0]=4 11715 B17R1.1158 CNC(=O)CCCSCCCC1CCCCC1 62a_100000741757_100011713725 [0,1,0,1,0,0|2,0,0]=4 11716 B17R1.1158 CNC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100000741757 [0,1,0,1,0,0|2,0,0]=4 11717 B17R1.1158 CNC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100012179268 [0,1,0,1,0,0|2,0,0]=4 11718 B17R1.1158 CNC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000737683 [0,1,0,1,0,0|2,0,0]=4 11719 B17R1.1158 COC(=O)CCCCCCCN1CCCOC1 2230a_100000131196_100010004213 [0,1,0,1,0,0|2,0,0]=4 11720 B17R1.1158 COC(=O)CCCCCCCN1CCCOC1 269982a_100000131196_100010004213 [0,1,0,1,0,0|2,0,0]=4 11721 B17R1.1158 COC(=O)CCCCCCCN1CCCOC1 34a_100000131196_100010004213 [0,1,0,1,0,0|2,0,0]=4 11722 B17R1.1158 COC(=O)CCCCCCCN1CCOCC1 2230a_100015191051_100010004213 [0,1,0,1,0,0|2,0,0]=4 11723 B17R1.1158 COC(=O)CCCCCCCN1CCOCC1 269982a_100015191051_100010004213 [0,1,0,1,0,0|2,0,0]=4 11724 B17R1.1158 COC(=O)CCCCCCCN1CCOCC1 34a_100015191051_100010004213 [0,1,0,1,0,0|2,0,0]=4 11725 B17R1.1158 COC(=O)CCCCCCCN1CCSCC1 2230a_100000737611_100010004213 [0,1,0,1,0,0|2,0,0]=4 11726 B17R1.1158 COC(=O)CCCCCCCN1CCSCC1 269982a_100000737611_100010004213 [0,1,0,1,0,0|2,0,0]=4 11727 B17R1.1158 COC(=O)CCCCCCNC1CCCCC1 2230a_100000182618_100009815986 [0,1,0,1,0,0|1,0,0]=3 11728 B17R1.1158 COC(=O)CCCCCCNC1CCCCC1 34a_100000182618_100009815986 [0,1,0,1,0,0|1,0,0]=3 11729 B17R1.1158 COC(=O)CCCCCCNC1CCCOC1 2230a_100000719290_100009815986 [0,1,0,1,0,0|2,0,0]=4 11730 B17R1.1158 COC(=O)CCCCCCNC1CCCOC1 34a_100000719290_100009815986 [0,1,0,1,0,0|2,0,0]=4 11731 B17R1.1158 COC(=O)CCCCCCNC1CCOCC1 2230a_100000741149_100009815986 [0,1,0,1,0,0|2,0,0]=4 11732 B17R1.1158 COC(=O)CCCCCCNC1CCOCC1 34a_100000741149_100009815986 [0,1,0,1,0,0|2,0,0]=4 11733 B17R1.1158 COC(=O)CCCCCCNC1CCSCC1 2230a_100000748639_100009815986 [0,1,0,1,0,0|2,0,0]=4 11734 B17R1.1158 COC(=O)CCCCCCNC1CCSCC1 34a_100000748639_100009815986 [0,1,0,1,0,0|2,0,0]=4 11735 B17R1.1158 COC(=O)CCCCCCOC1CCCCC1 34a_100000210231_100009815986 [0,1,0,1,0,0|1,0,0]=3 11736 B17R1.1158 COC(=O)CCCCCCOC1CCCCC1 34a_100009863599_100000210327 [0,1,0,1,0,0|1,0,0]=3 11737 B17R1.1158 COC(=O)CCCCCCOC1CCCCC1 7a_100000210231_100009815986 [0,1,0,1,0,0|1,0,0]=3 11738 B17R1.1158 COC(=O)CCCCCCOC1CCCCC1 7a_100009863599_100000210327 [0,1,0,1,0,0|1,0,0]=3 11739 B17R1.1158 COC(=O)CCCCCCOC1CCCCO1 34a_100000033831_100009815986 [0,1,0,1,0,0|2,0,0]=4 11740 B17R1.1158 COC(=O)CCCCCCOC1CCCOC1 34a_100000754041_100009815986 [0,1,0,1,0,0|2,0,0]=4 11741 B17R1.1158 COC(=O)CCCCCCOC1CCCOC1 34a_100009863599_100000693364 [0,1,0,1,0,0|2,0,0]=4 11742 B17R1.1158 COC(=O)CCCCCCOC1CCCOC1 7a_100009863599_100000693364 [0,1,0,1,0,0|2,0,0]=4 11743 B17R1.1158 COC(=O)CCCCCCOC1CCCSC1 7a_100015962668_100009815986 [0,1,0,1,0,0|2,0,0]=4 11744 B17R1.1158 COC(=O)CCCCCCOC1CCOCC1 34a_100000744328_100009815986 [0,1,0,1,0,0|2,0,0]=4 11745 B17R1.1158 COC(=O)CCCCCCOC1CCOCC1 7a_100009863599_100000686592 [0,1,0,1,0,0|2,0,0]=4 11746 B17R1.1158 COC(=O)CCCCCCOC1CCSCC1 34a_100000731022_100009815986 [0,1,0,1,0,0|2,0,0]=4 11747 B17R1.1158 COC(=O)CCCCCCOC1CCSCC1 34a_100009863599_100000069128 [0,1,0,1,0,0|2,0,0]=4 11748 B17R1.1158 COC(=O)CCCCCCOC1CCSCC1 7a_100000731022_100009815986 [0,1,0,1,0,0|2,0,0]=4 11749 B17R1.1158 COC(=O)CCCCCCOC1CCSCC1 7a_100009863599_100011500858 [0,1,0,1,0,0|2,0,0]=4 11750 B17R1.1158 COC(=O)CCCCCCSC1CCCCC1 62a_100000210327_100009815986 [0,1,0,1,0,0|1,0,0]=3 11751 B17R1.1158 COC(=O)CCCCCCSC1CCCCC1 62a_100009815986_100000210327 [0,1,0,1,0,0|1,0,0]=3 11752 B17R1.1158 COC(=O)CCCCCCSC1CCCOC1 62a_100009815986_100000693364 [0,1,0,1,0,0|2,0,0]=4 11753 B17R1.1158 COC(=O)CCCCCCSC1CCOCC1 62a_100009815986_100011324220 [0,1,0,1,0,0|2,0,0]=4 11754 B17R1.1158 COC(=O)CCCCCCSC1CCSCC1 62a_100009815986_100000069128 [0,1,0,1,0,0|2,0,0]=4 11755 B17R1.1158 COC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009816466 [0,1,0,1,0,0|1,0,0]=3 11756 B17R1.1158 COC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009816466 [0,1,0,1,0,0|1,0,0]=3 11757 B17R1.1158 COC(=O)CCCCCNCC1CCCCO1 2230a_100000174945_100009816466 [0,1,0,1,0,0|2,0,0]=4 11758 B17R1.1158 COC(=O)CCCCCNCC1CCCCO1 34a_100000174945_100009816466 [0,1,0,1,0,0|2,0,0]=4 11759 B17R1.1158 COC(=O)CCCCCNCC1CCCOC1 2230a_100000720124_100009816466 [0,1,0,1,0,0|2,0,0]=4 11760 B17R1.1158 COC(=O)CCCCCNCC1CCCOC1 34a_100000720124_100009816466 [0,1,0,1,0,0|2,0,0]=4 11761 B17R1.1158 COC(=O)CCCCCNCC1CCOCC1 2230a_100000746373_100009816466 [0,1,0,1,0,0|2,0,0]=4 11762 B17R1.1158 COC(=O)CCCCCNCC1CCOCC1 34a_100000746373_100009816466 [0,1,0,1,0,0|2,0,0]=4 11763 B17R1.1158 COC(=O)CCCCCNCC1CCSCC1 2230a_100015188806_100009816466 [0,1,0,1,0,0|2,0,0]=4 11764 B17R1.1158 COC(=O)CCCCCNCC1CCSCC1 34a_100015188806_100009816466 [0,1,0,1,0,0|2,0,0]=4 11765 B17R1.1158 COC(=O)CCCCCOCC1CCCCC1 34a_100000074720_100000211423 [0,1,0,1,0,0|1,0,0]=3 11766 B17R1.1158 COC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009816466 [0,1,0,1,0,0|1,0,0]=3 11767 B17R1.1158 COC(=O)CCCCCOCC1CCCCC1 7a_100000074720_100000211423 [0,1,0,1,0,0|1,0,0]=3 11768 B17R1.1158 COC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009816466 [0,1,0,1,0,0|1,0,0]=3 11769 B17R1.1158 COC(=O)CCCCCOCC1CCCCN1 34a_100000210821_100009816466 [0,1,0,1,0,0|2,0,0]=4 11770 B17R1.1158 COC(=O)CCCCCOCC1CCCCO1 34a_100000074720_100000211543 [0,1,0,1,0,0|2,0,0]=4 11771 B17R1.1158 COC(=O)CCCCCOCC1CCCCO1 34a_100000211370_100009816466 [0,1,0,1,0,0|2,0,0]=4 11772 B17R1.1158 COC(=O)CCCCCOCC1CCCCO1 7a_100000074720_100000211543 [0,1,0,1,0,0|2,0,0]=4 11773 B17R1.1158 COC(=O)CCCCCOCC1CCCCO1 7a_100000211370_100009816466 [0,1,0,1,0,0|2,0,0]=4 11774 B17R1.1158 COC(=O)CCCCCOCC1CCCNC1 34a_100000211344_100009816466 [0,1,0,1,0,0|2,0,0]=4 11775 B17R1.1158 COC(=O)CCCCCOCC1CCCOC1 34a_100000074720_100000741521 [0,1,0,1,0,0|2,0,0]=4 11776 B17R1.1158 COC(=O)CCCCCOCC1CCCOC1 34a_100000741520_100009816466 [0,1,0,1,0,0|2,0,0]=4 11777 B17R1.1158 COC(=O)CCCCCOCC1CCCOC1 7a_100000074720_100000741521 [0,1,0,1,0,0|2,0,0]=4 11778 B17R1.1158 COC(=O)CCCCCOCC1CCNCC1 34a_100000738675_100009816466 [0,1,0,1,0,0|2,0,0]=4 11779 B17R1.1158 COC(=O)CCCCCOCC1CCOCC1 34a_100000074720_100000754603 [0,1,0,1,0,0|2,0,0]=4 11780 B17R1.1158 COC(=O)CCCCCOCC1CCOCC1 34a_100000749013_100009816466 [0,1,0,1,0,0|2,0,0]=4 11781 B17R1.1158 COC(=O)CCCCCOCC1CCOCC1 7a_100000074720_100000754603 [0,1,0,1,0,0|2,0,0]=4 11782 B17R1.1158 COC(=O)CCCCCOCC1CCSCC1 34a_100000070558_100009816466 [0,1,0,1,0,0|2,0,0]=4 11783 B17R1.1158 COC(=O)CCCCCOCC1CCSCC1 7a_100000070558_100009816466 [0,1,0,1,0,0|2,0,0]=4 11784 B17R1.1158 COC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009816466 [0,1,0,1,0,0|1,0,0]=3 11785 B17R1.1158 COC(=O)CCCCCSCC1CCCCC1 62a_100009816466_100000211423 [0,1,0,1,0,0|1,0,0]=3 11786 B17R1.1158 COC(=O)CCCCCSCC1CCCCO1 62a_100000211543_100009816466 [0,1,0,1,0,0|2,0,0]=4 11787 B17R1.1158 COC(=O)CCCCCSCC1CCCCO1 62a_100009816466_100000211543 [0,1,0,1,0,0|2,0,0]=4 11788 B17R1.1158 COC(=O)CCCCCSCC1CCCOC1 62a_100000741521_100009816466 [0,1,0,1,0,0|2,0,0]=4 11789 B17R1.1158 COC(=O)CCCCCSCC1CCCOC1 62a_100009816466_100000741521 [0,1,0,1,0,0|2,0,0]=4 11790 B17R1.1158 COC(=O)CCCCCSCC1CCOCC1 62a_100000754603_100009816466 [0,1,0,1,0,0|2,0,0]=4 11791 B17R1.1158 COC(=O)CCCCCSCC1CCOCC1 62a_100009816466_100000749018 [0,1,0,1,0,0|2,0,0]=4 11792 B17R1.1158 COC(=O)CCCCNCCC1CCCCC1 2230a_100000738074_100000204269 [0,1,0,1,0,0|1,0,0]=3 11793 B17R1.1158 COC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100000204269 [0,1,0,1,0,0|1,0,0]=3 11794 B17R1.1158 COC(=O)CCCCNCCC1CCCCO1 2230a_100015183643_100000204269 [0,1,0,1,0,0|2,0,0]=4 11795 B17R1.1158 COC(=O)CCCCNCCC1CCCCO1 34a_100015183643_100000204269 [0,1,0,1,0,0|2,0,0]=4 11796 B17R1.1158 COC(=O)CCCCNCCC1CCOCC1 2230a_100000755988_100000204269 [0,1,0,1,0,0|2,0,0]=4 11797 B17R1.1158 COC(=O)CCCCNCCC1CCOCC1 34a_100000755988_100000204269 [0,1,0,1,0,0|2,0,0]=4 11798 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 34a_100000059025_100011209188 [0,1,0,1,0,0|1,0,0]=3 11799 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100000204269 [0,1,0,1,0,0|1,0,0]=3 11800 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 7a_100000059025_100011273959 [0,1,0,1,0,0|1,0,0]=3 11801 B17R1.1158 COC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000204269 [0,1,0,1,0,0|1,0,0]=3 11802 B17R1.1158 COC(=O)CCCCOCCC1CCCCN1 34a_100000211664_100000204269 [0,1,0,1,0,0|2,0,0]=4 11803 B17R1.1158 COC(=O)CCCCOCCC1CCCNC1 34a_100000752241_100000204269 [0,1,0,1,0,0|2,0,0]=4 11804 B17R1.1158 COC(=O)CCCCOCCC1CCNCC1 34a_100015190746_100000204269 [0,1,0,1,0,0|2,0,0]=4 11805 B17R1.1158 COC(=O)CCCCOCCC1CCOCC1 34a_100000059025_100011934994 [0,1,0,1,0,0|2,0,0]=4 11806 B17R1.1158 COC(=O)CCCCOCCC1CCOCC1 34a_100011933979_100000204269 [0,1,0,1,0,0|2,0,0]=4 11807 B17R1.1158 COC(=O)CCCCOCCC1CCOCC1 7a_100000059025_100011934994 [0,1,0,1,0,0|2,0,0]=4 11808 B17R1.1158 COC(=O)CCCCOCCC1CCOCC1 7a_100011933979_100000204269 [0,1,0,1,0,0|2,0,0]=4 11809 B17R1.1158 COC(=O)CCCCOCCN1CCCCC1 34a_100000059025_100000739454 [0,1,0,1,0,0|2,0,0]=4 11810 B17R1.1158 COC(=O)CCCCOCCN1CCCCC1 7a_100000059025_100000739454 [0,1,0,1,0,0|2,0,0]=4 11811 B17R1.1158 COC(=O)CCCCOCOC1CCCCC1 34a_100000059025_100011935260 [0,1,0,1,0,0|2,0,0]=4 11812 B17R1.1158 COC(=O)CCCCOCOC1CCCCC1 7a_100000059025_100011935260 [0,1,0,1,0,0|2,0,0]=4 11813 B17R1.1158 COC(=O)CCCCSCCC1CCCCC1 62a_100000204269_100012355289 [0,1,0,1,0,0|1,0,0]=3 11814 B17R1.1158 COC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000204269 [0,1,0,1,0,0|1,0,0]=3 11815 B17R1.1158 COC(=O)CCCCSCCC1CCOCC1 62a_100000204269_100011934994 [0,1,0,1,0,0|2,0,0]=4 11816 B17R1.1158 COC(=O)CCCCSCCC1CCOCC1 62a_100011934994_100000204269 [0,1,0,1,0,0|2,0,0]=4 11817 B17R1.1158 COC(=O)CCCCSCCN1CCCCC1 62a_100000204269_100000739454 [0,1,0,1,0,0|2,0,0]=4 11818 B17R1.1158 COC(=O)CCCCSCCN1CCCCC1 62a_100000739454_100000204269 [0,1,0,1,0,0|2,0,0]=4 11819 B17R1.1158 COC(=O)CCCCSCOC1CCCCC1 62a_100000204269_100011935260 [0,1,0,1,0,0|2,0,0]=4 11820 B17R1.1158 COC(=O)CCCCSCOC1CCCCC1 62a_100011935260_100000204269 [0,1,0,1,0,0|2,0,0]=4 11821 B17R1.1158 COC(=O)CCCNCCCC1CCCCC1 2230a_100011211642_100011218270 [0,1,0,1,0,0|1,0,0]=3 11822 B17R1.1158 COC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000742333 [0,1,0,1,0,0|1,0,0]=3 11823 B17R1.1158 COC(=O)CCCNCCOC1CCCCC1 34a_100015206981_100000742333 [0,1,0,1,0,0|2,0,0]=4 11824 B17R1.1158 COC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000742333 [0,1,0,1,0,0|1,0,0]=3 11825 B17R1.1158 COC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011218270 [0,1,0,1,0,0|1,0,0]=3 11826 B17R1.1158 COC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100000742333 [0,1,0,1,0,0|2,0,0]=4 11827 B17R1.1158 COC(=O)CCCOCCCC1CCCNC1 34a_100150707839_100000742333 [0,1,0,1,0,0|2,0,0]=4 11828 B17R1.1158 COC(=O)CCCOCCCC1CCNCC1 34a_100016988962_100000742333 [0,1,0,1,0,0|2,0,0]=4 11829 B17R1.1158 COC(=O)CCCOCCCN1CCCCC1 34a_100000212458_100000742333 [0,1,0,1,0,0|2,0,0]=4 11830 B17R1.1158 COC(=O)CCCOCCNC1CCCCC1 34a_100000200466_100000742333 [0,1,0,1,0,0|2,0,0]=4 11831 B17R1.1158 COC(=O)CCCOCCOC1CCCCC1 34a_100011249652_100000742333 [0,1,0,1,0,0|2,0,0]=4 11832 B17R1.1158 COC(=O)CCCOCCOC1CCCCC1 7a_100011249652_100011218270 [0,1,0,1,0,0|2,0,0]=4 11833 B17R1.1158 COC(=O)CCCSCCCC1CCCCC1 62a_100011218270_100011713725 [0,1,0,1,0,0|1,0,0]=3 11834 B17R1.1158 COC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011218270 [0,1,0,1,0,0|1,0,0]=3 11835 B17R1.1158 COC(=O)CCCSCCCN1CCCCC1 62a_100011218270_100000007876 [0,1,0,1,0,0|2,0,0]=4 11836 B17R1.1158 COC(=O)CCCSCCCN1CCCCC1 62a_100132302099_100011218270 [0,1,0,1,0,0|2,0,0]=4 11837 B17R1.1158 COC(=O)CCCSCCOC1CCCCC1 62a_100011211530_100011218270 [0,1,0,1,0,0|2,0,0]=4 11838 B17R1.1158 COC(=O)CCCSCCOC1CCCCC1 62a_100011218270_100011211530 [0,1,0,1,0,0|2,0,0]=4 11839 B17R1.1158 COC(=O)CCNCCCOC1CCCCC1 34a_100000205933_100000742370 [0,1,0,1,0,0|2,0,0]=4 11840 B17R1.1158 COC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000742370 [0,1,0,1,0,0|1,0,0]=3 11841 B17R1.1158 COC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000204255 [0,1,0,1,0,0|1,0,0]=3 11842 B17R1.1158 COC(=O)CCOCCCCC1CCNCC1 34a_100016989291_100000742370 [0,1,0,1,0,0|2,0,0]=4 11843 B17R1.1158 COC(=O)COCCCCCN1CCCCC1 34a_100011216611_100000747449 [0,1,0,1,0,0|2,0,0]=4 11844 B17R1.1158 COC(=O)COCCCCCN1CCCCC1 7a_100011216611_100000747449 [0,1,0,1,0,0|2,0,0]=4 11845 B17R1.1158 COC(=O)COCCNCCC1CCCCC1 2230a_100000738074_100000090808 [0,1,0,1,0,0|2,0,0]=4 11846 B17R1.1158 COC(=O)COCCNCCC1CCCCC1 34a_100000738074_100000090808 [0,1,0,1,0,0|2,0,0]=4 11847 B17R1.1158 COC(=O)COCCOCCC1CCCCC1 34a_100011217863_100000090808 [0,1,0,1,0,0|2,0,0]=4 11848 B17R1.1158 COC(=O)COCCOCCC1CCCCC1 7a_100011217863_100000090808 [0,1,0,1,0,0|2,0,0]=4 11849 B17R1.1158 COC(=O)COCCSCCC1CCCCC1 62a_100000090808_100012355289 [0,1,0,1,0,0|2,0,0]=4 11850 B17R1.1158 COC(=O)COCCSCCC1CCCCC1 62a_100012355289_100000090808 [0,1,0,1,0,0|2,0,0]=4 11851 B17R1.1158 COC(=O)NCCOCCCC1CCCCC1 34a_100000757965_100011713725 [0,1,0,1,0,0|2,0,0]=4 11852 B17R1.1158 COC(=O)OCCOCCCC1CCCCC1 34a_100010262106_100011713725 [0,1,0,1,0,0|2,0,0]=4 11853 B17R1.1158 NNC(=O)CCCOCCCC1CCCCC1 34a_100000211488_100011713725 [0,1,0,1,0,0|2,0,0]=4 11854 B17R1.1158 O=C(CO)CCCCCCOC1CCCCO1 1458a_100000210174_100000033462 [0,1,0,1,0,0|2,0,0]=4 11855 B17R1.1241 CCCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100011215454 [0,1,0,1,0,0|1,0,1]=4 11856 B17R1.1241 CCCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100011215454 [0,1,0,1,0,0|1,0,1]=4 11857 B17R1.1241 CCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215454 [0,1,0,1,0,0|2,0,0]=4 11858 B17R1.1241 CCCCCCCCCCNC1CCC(C1)O 270004a_100000684558_100012614533 [0,1,0,1,0,0|1,0,1]=4 11859 B17R1.1241 CCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210320 [0,1,0,1,0,0|2,0,0]=4 11860 B17R1.1241 CCCCCCCCCCNC1COC(=O)O1 34a_100000684558_100000032252 [0,1,0,1,0,0|1,0,0]=3 11861 B17R1.1241 CCCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210320 [0,1,0,1,0,0|1,0,1]=4 11862 B17R1.1241 CCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210320 [0,1,0,1,0,0|1,0,0]=3 11863 B17R1.1241 CCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210320 [0,1,0,1,0,0|2,0,0]=4 11864 B17R1.1241 CCCCCCCCCCOC1COC(=O)O1 34a_100000210711_100000032252 [0,1,0,1,0,0|1,0,0]=3 11865 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100011214924 [0,1,0,1,0,0|2,0,0]=4 11866 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100011214924 [0,1,0,1,0,0|2,0,0]=4 11867 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 2230a_100000212291_100000181169 [0,1,0,1,0,0|1,0,0]=3 11868 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 34a_100000212291_100000181169 [0,1,0,1,0,0|1,0,0]=3 11869 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [0,1,0,1,0,0|1,0,0]=3 11870 B17R1.1241 CCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000212291_100015189358 [0,1,0,1,0,0|1,0,0]=3 11871 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011214924 [0,1,0,1,0,0|1,0,0]=3 11872 B17R1.1241 CCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011214924 [0,1,0,1,0,0|1,0,0]=3 11873 B17R1.1241 CCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000212291_100015307671 [0,1,0,1,0,0|2,0,0]=4 11874 B17R1.1241 CCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000212291_100015307671 [0,1,0,1,0,0|2,0,0]=4 11875 B17R1.1241 CCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011214924 [0,1,0,1,0,0|1,0,0]=3 11876 B17R1.1241 CCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100011214924 [0,1,0,1,0,0|2,0,0]=4 11877 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100000210712_100000181169 [0,1,0,1,0,0|1,0,0]=3 11878 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011214924 [0,1,0,1,0,0|1,0,0]=3 11879 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 7a_100000210712_100000181169 [0,1,0,1,0,0|1,0,0]=3 11880 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [0,1,0,1,0,0|1,0,0]=3 11881 B17R1.1241 CCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210712_100015189358 [0,1,0,1,0,0|1,0,0]=3 11882 B17R1.1241 CCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210712_100015307671 [0,1,0,1,0,0|2,0,0]=4 11883 B17R1.1241 CCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210712_100015307671 [0,1,0,1,0,0|2,0,0]=4 11884 B17R1.1241 CCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210670 [0,1,0,1,0,0|1,0,0]=3 11885 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [0,1,0,1,0,0|1,0,0]=3 11886 B17R1.1241 CCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210670 [0,1,0,1,0,0|1,0,0]=3 11887 B17R1.1241 CCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210670 [0,1,0,1,0,0|2,0,0]=4 11888 B17R1.1241 CCCCCCCCOCCC1COS(=O)O1 7a_100000210232_100009840081 [0,1,0,1,0,0|2,0,0]=4 11889 B17R1.1241 CCCCCCCCSCCC1COS(=O)O1 62a_100000210759_100009840081 [0,1,0,1,0,0|2,0,0]=4 11890 B17R1.1241 CCCCCCOCCOCC1CNC(=O)O1 34a_100000691444_100000181169 [0,1,0,1,0,0|2,0,0]=4 11891 B17R1.1241 CCCCCCOCCOCC1CNC(=O)O1 7a_100000691444_100000181169 [0,1,0,1,0,0|2,0,0]=4 11892 B17R1.1241 CCCCCCOCCOCC1COC(=O)O1 34a_100000691444_100000073702 [0,1,0,1,0,0|2,0,0]=4 11893 B17R1.1241 CCCCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000691444_100015189358 [0,1,0,1,0,0|2,0,0]=4 11894 B17R1.1241 CCCCNCCCCOCC1CNC(=O)O1 34a_200011216965_100000181169 [0,1,0,1,0,0|2,0,0]=4 11895 B17R1.1241 CCCCNCCCCOCC1COC(=O)O1 34a_200011216965_100000073702 [0,1,0,1,0,0|2,0,0]=4 11896 B17R1.1241 CCCCOCCCCOCC1CNC(=O)O1 34a_200000760531_100000181169 [0,1,0,1,0,0|2,0,0]=4 11897 B17R1.1241 CCCCOCCCCOCC1CNC(=O)O1 7a_200000760531_100000181169 [0,1,0,1,0,0|2,0,0]=4 11898 B17R1.1241 CCCCOCCCCOCC1COC(=O)O1 34a_200000760531_100000073702 [0,1,0,1,0,0|2,0,0]=4 11899 B17R1.1241 CCCCOCCCCOC[C@@H]1CCC(=O)N1 7a_200000760531_100015189358 [0,1,0,1,0,0|2,0,0]=4 11900 B17R1.1241 NCCCCCCCCCOC1COC(=O)O1 34a_100000078944_100000032252 [0,1,0,1,0,0|2,0,0]=4 11901 B17R1.1241 NCCCCCCCCOCC1CNC(=O)O1 34a_102515433106_100000181169 [0,1,0,1,0,0|2,0,0]=4 11902 B17R1.1241 NCCCCCCCCOCC1COC(=O)O1 34a_102515433106_100000073702 [0,1,0,1,0,0|2,0,0]=4 11903 B17R1.1241 O=C1CCC(C1)OCCCCCCCCCO 34a_100012614533_100009813782 [0,1,0,1,0,0|2,0,0]=4 11904 B17R1.1241 O=C1CCC(N1)COCCCCCCCCO 34a_100000737831_100000033203 [0,1,0,1,0,0|2,0,0]=4 11905 B17R1.1241 O=C1CC[C@@H](N1)CNCCCCCCCCO 2230a_100015423886_100000033203 [0,1,0,1,0,0|2,0,0]=4 11906 B17R1.1241 O=C1CC[C@@H](N1)CNCCCCCCCCO 34a_100015423886_100000033203 [0,1,0,1,0,0|2,0,0]=4 11907 B17R1.1241 O=C1CC[C@H](N1)CNCCCCCCCCO 2230a_102515433106_100015189358 [0,1,0,1,0,0|2,0,0]=4 11908 B17R1.1241 O=C1CC[C@H](N1)COCCCCCCCCBr 7a_100009813846_100015189358 [0,1,0,1,0,0|2,0,0]=4 11909 B17R1.1241 O=C1CC[C@H](N1)COCCCCCCCCCl 7a_100000033203_100015189358 [0,1,0,1,0,0|2,0,0]=4 11910 B17R1.1241 O=C1CC[C@H](N1)CSCCCCCCCCO 62a_100000033203_100015189358 [0,1,0,1,0,0|2,0,0]=4 11911 B17R1.1241 O=C1CC[C@H](N1)CSCCCCCCCCO 62a_100015189358_100000033203 [0,1,0,1,0,0|2,0,0]=4 11912 B17R1.1241 O=C1NCC(O1)CNCCCCCCCCO 2230a_102515433106_100000181169 [0,1,0,1,0,0|2,0,0]=4 11913 B17R1.1241 O=C1NCC(O1)CNCCCCCCCCO 34a_102515433106_100000181169 [0,1,0,1,0,0|2,0,0]=4 11914 B17R1.1241 O=C1NCC(O1)COCCCCCCCCBr 34a_100009813846_100000181169 [0,1,0,1,0,0|2,0,0]=4 11915 B17R1.1241 O=C1NCC(O1)COCCCCCCCCBr 7a_100009813846_100000181169 [0,1,0,1,0,0|2,0,0]=4 11916 B17R1.1241 O=C1NCC(O1)COCCCCCCCCCl 34a_100000033203_100000181169 [0,1,0,1,0,0|2,0,0]=4 11917 B17R1.1241 O=C1NCC(O1)COCCCCCCCCCl 7a_100000033203_100000181169 [0,1,0,1,0,0|2,0,0]=4 11918 B17R1.1241 O=C1NCC(O1)COCCCCCCCCO 34a_100011315639_100000033203 [0,1,0,1,0,0|2,0,0]=4 11919 B17R1.1241 O=C1NCC(O1)CSCCCCCCCCO 62a_100000033203_100000181169 [0,1,0,1,0,0|2,0,0]=4 11920 B17R1.1241 O=C1NCC(O1)CSCCCCCCCCO 62a_100000181169_100000033203 [0,1,0,1,0,0|2,0,0]=4 11921 B17R1.1241 O=C1OCC(O1)CNCCCCCCCCO 34a_102515433106_100000073702 [0,1,0,1,0,0|2,0,0]=4 11922 B17R1.1241 O=C1OCC(O1)COCCCCCCCCBr 34a_100009813846_100000073702 [0,1,0,1,0,0|2,0,0]=4 11923 B17R1.1241 O=C1OCC(O1)COCCCCCCCCCl 34a_100000033203_100000073702 [0,1,0,1,0,0|2,0,0]=4 11924 B17R1.1241 O=C1OCC(O1)CSCCCCCCCCO 62a_100000033203_100000073702 [0,1,0,1,0,0|2,0,0]=4 11925 B17R1.1241 O=C1OCC(O1)CSCCCCCCCCO 62a_100000073702_100000033203 [0,1,0,1,0,0|2,0,0]=4 11926 B17R1.1241 O=C1OCC(O1)NCCCCCCCCCO 34a_100000078944_100000032252 [0,1,0,1,0,0|2,0,0]=4 11927 B17R1.1241 O=C1OCC(O1)OCCCCCCCCCBr 34a_100009813782_100000032252 [0,1,0,1,0,0|2,0,0]=4 11928 B17R1.1241 O=C1OCC(O1)OCCCCCCCCCCl 34a_100009868337_100000032252 [0,1,0,1,0,0|2,0,0]=4 11929 B17R1.1241 O=C1OCC(O1)SCCCCCCCCCO 62a_100009813782_100000032252 [0,1,0,1,0,0|2,0,0]=4 11930 B17R1.1295 COC(=O)CCCN1CCCCC1CCCO 2230a_100011934581_100011218270 [0,1,0,1,0,0|2,0,0]=4 11931 B17R1.1295 COC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100011218270 [0,1,0,1,0,0|2,0,0]=4 11932 B17R1.1295 COC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100000742333 [0,1,0,1,0,0|2,0,0]=4 11933 B17R1.1295 COCCC1CCCCN1CCCC(=O)OC 2230a_100015186528_100011218270 [0,1,0,1,0,0|2,0,0]=4 11934 B17R1.1295 COCCC1CCCCN1CCCC(=O)OC 269982a_100015186528_100011218270 [0,1,0,1,0,0|2,0,0]=4 11935 B17R1.1295 COCCC1CCCCN1CCCC(=O)OC 34a_100015186528_100000742333 [0,1,0,1,0,0|2,0,0]=4 11936 B17R1.1338 COC(=O)CCCCCCN1CCCCC1C 2230a_100000211376_100009815986 [0,1,0,1,0,0|1,0,0]=3 11937 B17R1.1338 COC(=O)CCCCCCN1CCCCC1C 269982a_100000211376_100009815986 [0,1,0,1,0,0|1,0,0]=3 11938 B17R1.1338 COC(=O)CCCCCCN1CCCCC1C 34a_100000211376_100009815986 [0,1,0,1,0,0|1,0,0]=3 11939 B17R1.1338 COC(=O)CCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100009815986 [0,1,0,1,0,0|2,0,0]=4 11940 B17R1.1338 COC(=O)CCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100009815986 [0,1,0,1,0,0|2,0,0]=4 11941 B17R1.1338 COC(=O)CCCCCCN1CCOC[C@@H]1C 34a_100009815349_100009815986 [0,1,0,1,0,0|2,0,0]=4 11942 B17R1.1338 COC(=O)CCCCCNC1CCCCC1C 2230a_100000211402_100009816466 [0,1,0,1,0,0|1,0,0]=3 11943 B17R1.1338 COC(=O)CCCCCNC1CCCCC1C 34a_100000211402_100009816466 [0,1,0,1,0,0|1,0,0]=3 11944 B17R1.1338 COC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009816466 [0,1,0,1,0,0|2,0,0]=4 11945 B17R1.1338 COC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009816466 [0,1,0,1,0,0|2,0,0]=4 11946 B17R1.1338 COC(=O)CCCCCOC1CCCCC1C 34a_100000211207_100009816466 [0,1,0,1,0,0|1,0,0]=3 11947 B17R1.1338 COC(=O)CCCCCOC1CCCCC1C 7a_100000211207_100009816466 [0,1,0,1,0,0|1,0,0]=3 11948 B17R1.1338 COC(=O)CCCCCOC1CCCCC1Cl 34a_100000038908_100009816466 [0,1,0,1,0,0|2,0,0]=4 11949 B17R1.1338 COC(=O)CCCCCOC1CCCCC1Cl 7a_100000038908_100009816466 [0,1,0,1,0,0|2,0,0]=4 11950 B17R1.1338 COC(=O)CCCCCOC1CCCCC1F 34a_100000074720_100015423560 [0,1,0,1,0,0|2,0,0]=4 11951 B17R1.1338 COC(=O)CCCCCOC1CCCCC1O 34a_100000074720_100000038908 [0,1,0,1,0,0|2,0,0]=4 11952 B17R1.1338 COC(=O)CCCCCOC1CCNCC1C 34a_100011998114_100009816466 [0,1,0,1,0,0|2,0,0]=4 11953 B17R1.1338 COC(=O)CCCCCOC1CNCCC1C 34a_100000696640_100009816466 [0,1,0,1,0,0|2,0,0]=4 11954 B17R1.1338 COC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009816466 [0,1,0,1,0,0|2,0,0]=4 11955 B17R1.1338 COC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009816466 [0,1,0,1,0,0|2,0,0]=4 11956 B17R1.1338 COC(=O)CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009816466 [0,1,0,1,0,0|2,0,0]=4 11957 B17R1.1338 COC(=O)CCCCCSC1CCCCC1F 62a_100009816466_100015423560 [0,1,0,1,0,0|2,0,0]=4 11958 B17R1.1338 COC(=O)CCCCCSC1CCCCC1F 62a_100015423560_100009816466 [0,1,0,1,0,0|2,0,0]=4 11959 B17R1.1338 COC(=O)CCCCCSC1CCCCC1O 62a_100000038908_100009816466 [0,1,0,1,0,0|2,0,0]=4 11960 B17R1.1338 COC(=O)CCCCCSC1CCCCC1O 62a_100009816466_100000038908 [0,1,0,1,0,0|2,0,0]=4 11961 B17R1.1338 COC(=O)CCCCNCC1CCCCC1O 34a_100011216029_100000204269 [0,1,0,1,0,0|2,0,0]=4 11962 B17R1.1338 COC(=O)CCCCNCC1CCCCN1C 34a_100011228421_100000204269 [0,1,0,1,0,0|2,0,0]=4 11963 B17R1.1338 COC(=O)CCCCOCC1CCCCN1C 34a_100000059025_100015186950 [0,1,0,1,0,0|2,0,0]=4 11964 B17R1.1338 COC(=O)CCCCOCC1CCCCN1C 34a_100000225079_100000204269 [0,1,0,1,0,0|2,0,0]=4 11965 B17R1.1338 COC(=O)CCCCOCC1CCCCN1C 7a_100000059025_100015185383 [0,1,0,1,0,0|2,0,0]=4 11966 B17R1.1338 COC(=O)CCCCSCC1CCCCN1C 62a_100000204269_100015185383 [0,1,0,1,0,0|2,0,0]=4 11967 B17R1.1338 COC(=O)CCCCSCC1CCCCN1C 62a_100015185383_100000204269 [0,1,0,1,0,0|2,0,0]=4 11968 B17R1.1338 COC(=O)CCCNCCN1CCCCC1C 2230a_100000739827_100011218270 [0,1,0,1,0,0|2,0,0]=4 11969 B17R1.1338 COC(=O)CCCNCCN1CCCCC1C 34a_100000739827_100000742333 [0,1,0,1,0,0|2,0,0]=4 11970 B17R1.1338 COC(=O)CCCOCCN1CCCCC1C 34a_100011305533_100000742333 [0,1,0,1,0,0|2,0,0]=4 11971 B17R1.1338 COC(=O)CCCSCCC1CCCCN1C 62a_100000211948_100011218270 [0,1,0,1,0,0|2,0,0]=4 11972 B17R1.1338 COC(=O)CCCSCCC1CCCCN1C 62a_100011218270_100000211948 [0,1,0,1,0,0|2,0,0]=4 11973 B17R1.1338 COC(=O)CCNCCCN1CCCCC1C 34a_100000212276_100000742370 [0,1,0,1,0,0|2,0,0]=4 11974 B17R1.1338 COC(=O)CCOCCCN1CCCCC1C 34a_100000213889_100000742370 [0,1,0,1,0,0|2,0,0]=4 11975 B17R1.1338 COC(=O)CCOCCCN1CCCCC1C 7a_100000213889_100000204255 [0,1,0,1,0,0|2,0,0]=4 11976 B17R1.1377 COC(=O)CCCCCCCCN1CCCC1 2230a_100000188435_100010282707 [0,1,0,1,0,0|1,0,0]=3 11977 B17R1.1377 COC(=O)CCCCCCCCN1CCCC1 269982a_100000188435_100010282707 [0,1,0,1,0,0|1,0,0]=3 11978 B17R1.1377 COC(=O)CCCCCCCCN1CCSC1 2230a_100011215254_100010282707 [0,1,0,1,0,0|2,0,0]=4 11979 B17R1.1377 COC(=O)CCCCCCCCN1CCSC1 269982a_100011215254_100010282707 [0,1,0,1,0,0|2,0,0]=4 11980 B17R1.1377 COC(=O)CCCCCCCNC1CCCC1 2230a_100000211070_100010004213 [0,1,0,1,0,0|1,0,0]=3 11981 B17R1.1377 COC(=O)CCCCCCCNC1CCCC1 34a_100000211070_100010004213 [0,1,0,1,0,0|1,0,0]=3 11982 B17R1.1377 COC(=O)CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100010004213 [0,1,0,1,0,0|2,0,0]=4 11983 B17R1.1377 COC(=O)CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100010004213 [0,1,0,1,0,0|2,0,0]=4 11984 B17R1.1377 COC(=O)CCCCCCCN[C@H]1CCOC1 34a_100015188467_100010004213 [0,1,0,1,0,0|2,0,0]=4 11985 B17R1.1377 COC(=O)CCCCCCCOC1CCCC1 34a_100000210269_100010004213 [0,1,0,1,0,0|1,0,0]=3 11986 B17R1.1377 COC(=O)CCCCCCCOC1CCCC1 34a_100011022521_100000179811 [0,1,0,1,0,0|1,0,0]=3 11987 B17R1.1377 COC(=O)CCCCCCCOC1CCCC1 7a_100000210269_100010004213 [0,1,0,1,0,0|1,0,0]=3 11988 B17R1.1377 COC(=O)CCCCCCCOC1CCCC1 7a_100011022521_100000179811 [0,1,0,1,0,0|1,0,0]=3 11989 B17R1.1377 COC(=O)CCCCCCCOC1CCCO1 34a_100000085407_100010004213 [0,1,0,1,0,0|2,0,0]=4 11990 B17R1.1377 COC(=O)CCCCCCCOC1CCOC1 34a_100011022521_100000690089 [0,1,0,1,0,0|2,0,0]=4 11991 B17R1.1377 COC(=O)CCCCCCCOC1CCOC1 7a_100011022521_100000731011 [0,1,0,1,0,0|2,0,0]=4 11992 B17R1.1377 COC(=O)CCCCCCCOC1CCSC1 7a_100011232664_100010004213 [0,1,0,1,0,0|2,0,0]=4 11993 B17R1.1377 COC(=O)CCCCCCCO[C@H]1CCOC1 34a_100000717292_100010004213 [0,1,0,1,0,0|2,0,0]=4 11994 B17R1.1377 COC(=O)CCCCCCCSC1CCCC1 62a_100010004213_100000179811 [0,1,0,1,0,0|1,0,0]=3 11995 B17R1.1377 COC(=O)CCCCCCCSC1CCCC1 62a_100011217020_100010004213 [0,1,0,1,0,0|1,0,0]=3 11996 B17R1.1377 COC(=O)CCCCCCCSC1CCOC1 62a_100010004213_100000690089 [0,1,0,1,0,0|2,0,0]=4 11997 B17R1.1377 COC(=O)CCCCCCNCC1CCCC1 2230a_100000737975_100009815986 [0,1,0,1,0,0|1,0,0]=3 11998 B17R1.1377 COC(=O)CCCCCCNCC1CCCC1 34a_100000737975_100009815986 [0,1,0,1,0,0|1,0,0]=3 11999 B17R1.1377 COC(=O)CCCCCCNCC1CCOC1 2230a_100000737293_100009815986 [0,1,0,1,0,0|2,0,0]=4 12000 B17R1.1377 COC(=O)CCCCCCNCC1CCOC1 34a_100000737293_100009815986 [0,1,0,1,0,0|2,0,0]=4 12001 B17R1.1377 COC(=O)CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009815986 [0,1,0,1,0,0|2,0,0]=4 12002 B17R1.1377 COC(=O)CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100009815986 [0,1,0,1,0,0|2,0,0]=4 12003 B17R1.1377 COC(=O)CCCCCCOCC1CCCC1 34a_100000742336_100009815986 [0,1,0,1,0,0|1,0,0]=3 12004 B17R1.1377 COC(=O)CCCCCCOCC1CCCC1 34a_100009863599_100000740388 [0,1,0,1,0,0|1,0,0]=3 12005 B17R1.1377 COC(=O)CCCCCCOCC1CCCC1 7a_100000742336_100009815986 [0,1,0,1,0,0|1,0,0]=3 12006 B17R1.1377 COC(=O)CCCCCCOCC1CCCC1 7a_100009863599_100000740388 [0,1,0,1,0,0|1,0,0]=3 12007 B17R1.1377 COC(=O)CCCCCCOCC1CCCO1 34a_100000210270_100009815986 [0,1,0,1,0,0|2,0,0]=4 12008 B17R1.1377 COC(=O)CCCCCCOCC1CCCO1 7a_100000210270_100009815986 [0,1,0,1,0,0|2,0,0]=4 12009 B17R1.1377 COC(=O)CCCCCCOCC1CCCO1 7a_100009863599_100000203698 [0,1,0,1,0,0|2,0,0]=4 12010 B17R1.1377 COC(=O)CCCCCCOCC1CCNC1 34a_100000748654_100009815986 [0,1,0,1,0,0|2,0,0]=4 12011 B17R1.1377 COC(=O)CCCCCCOCC1CCOC1 34a_100000740260_100009815986 [0,1,0,1,0,0|2,0,0]=4 12012 B17R1.1377 COC(=O)CCCCCCOCC1CCOC1 34a_100009863599_100011261433 [0,1,0,1,0,0|2,0,0]=4 12013 B17R1.1377 COC(=O)CCCCCCOCC1CCOC1 7a_100009863599_100000702531 [0,1,0,1,0,0|2,0,0]=4 12014 B17R1.1377 COC(=O)CCCCCCOC[C@H]1CCCN1 34a_100000745186_100009815986 [0,1,0,1,0,0|2,0,0]=4 12015 B17R1.1377 COC(=O)CCCCCCSCC1CCCC1 62a_100000740388_100009815986 [0,1,0,1,0,0|1,0,0]=3 12016 B17R1.1377 COC(=O)CCCCCCSCC1CCCC1 62a_100009815986_100000740388 [0,1,0,1,0,0|1,0,0]=3 12017 B17R1.1377 COC(=O)CCCCCCSCC1CCCO1 62a_100000203698_100009815986 [0,1,0,1,0,0|2,0,0]=4 12018 B17R1.1377 COC(=O)CCCCCCSCC1CCCO1 62a_100009815986_100000203698 [0,1,0,1,0,0|2,0,0]=4 12019 B17R1.1377 COC(=O)CCCCCCSCC1CCOC1 62a_100000702531_100009815986 [0,1,0,1,0,0|2,0,0]=4 12020 B17R1.1377 COC(=O)CCCCCCSCC1CCOC1 62a_100009815986_100000702531 [0,1,0,1,0,0|2,0,0]=4 12021 B17R1.1377 COC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009816466 [0,1,0,1,0,0|1,0,0]=3 12022 B17R1.1377 COC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009816466 [0,1,0,1,0,0|1,0,0]=3 12023 B17R1.1377 COC(=O)CCCCCOCCC1CCCC1 34a_100000074720_100000760354 [0,1,0,1,0,0|1,0,0]=3 12024 B17R1.1377 COC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009816466 [0,1,0,1,0,0|1,0,0]=3 12025 B17R1.1377 COC(=O)CCCCCOCCC1CCCC1 7a_100000074720_100000760354 [0,1,0,1,0,0|1,0,0]=3 12026 B17R1.1377 COC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009816466 [0,1,0,1,0,0|1,0,0]=3 12027 B17R1.1377 COC(=O)CCCCCOCCC1CCNC1 34a_100016987287_100009816466 [0,1,0,1,0,0|2,0,0]=4 12028 B17R1.1377 COC(=O)CCCCCOCCC1CCOC1 34a_100011879284_100009816466 [0,1,0,1,0,0|2,0,0]=4 12029 B17R1.1377 COC(=O)CCCCCOCCN1CCCC1 7a_100000074720_100000004467 [0,1,0,1,0,0|2,0,0]=4 12030 B17R1.1377 COC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009816466 [0,1,0,1,0,0|1,0,0]=3 12031 B17R1.1377 COC(=O)CCCCCSCCC1CCCC1 62a_100009816466_100000760354 [0,1,0,1,0,0|1,0,0]=3 12032 B17R1.1377 COC(=O)CCCCCSCCN1CCCC1 62a_100000700749_100009816466 [0,1,0,1,0,0|2,0,0]=4 12033 B17R1.1377 COC(=O)CCCCCSCCN1CCCC1 62a_100009816466_100000004467 [0,1,0,1,0,0|2,0,0]=4 12034 B17R1.1377 COC(=O)CCCCNCCCC1CCCC1 2230a_100000736752_100000204269 [0,1,0,1,0,0|1,0,0]=3 12035 B17R1.1377 COC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100000204269 [0,1,0,1,0,0|1,0,0]=3 12036 B17R1.1377 COC(=O)CCCCNCCOC1CCCC1 34a_100000741755_100000204269 [0,1,0,1,0,0|2,0,0]=4 12037 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 34a_100000059025_100011713738 [0,1,0,1,0,0|1,0,0]=3 12038 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100000204269 [0,1,0,1,0,0|1,0,0]=3 12039 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 7a_100000059025_100011713738 [0,1,0,1,0,0|1,0,0]=3 12040 B17R1.1377 COC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000204269 [0,1,0,1,0,0|1,0,0]=3 12041 B17R1.1377 COC(=O)CCCCOCCCN1CCCC1 34a_100000059025_100016991639 [0,1,0,1,0,0|2,0,0]=4 12042 B17R1.1377 COC(=O)CCCCOCCCN1CCCC1 7a_100000059025_100011445909 [0,1,0,1,0,0|2,0,0]=4 12043 B17R1.1377 COC(=O)CCCCOCCNC1CCCC1 34a_200000200444_100000204269 [0,1,0,1,0,0|2,0,0]=4 12044 B17R1.1377 COC(=O)CCCCOCCOC1CCCC1 34a_100000738311_100000204269 [0,1,0,1,0,0|2,0,0]=4 12045 B17R1.1377 COC(=O)CCCCOCCOC1CCCC1 7a_100000738311_100000204269 [0,1,0,1,0,0|2,0,0]=4 12046 B17R1.1377 COC(=O)CCCCSCCCC1CCCC1 62a_100000204269_100011713738 [0,1,0,1,0,0|1,0,0]=3 12047 B17R1.1377 COC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000204269 [0,1,0,1,0,0|1,0,0]=3 12048 B17R1.1377 COC(=O)CCCCSCCCN1CCCC1 62a_100000204269_100011445909 [0,1,0,1,0,0|2,0,0]=4 12049 B17R1.1377 COC(=O)CCCCSCCCN1CCCC1 62a_100016991639_100000204269 [0,1,0,1,0,0|2,0,0]=4 12050 B17R1.1377 COC(=O)CCCNCCCOC1CCCC1 34a_100000747560_100000742333 [0,1,0,1,0,0|2,0,0]=4 12051 B17R1.1377 COC(=O)COCCNCCCC1CCCC1 2230a_100000736752_100000090808 [0,1,0,1,0,0|2,0,0]=4 12052 B17R1.1377 COC(=O)COCCNCCCC1CCCC1 34a_100000736752_100000090808 [0,1,0,1,0,0|2,0,0]=4 12053 B17R1.1377 COC(=O)COCCOCCCC1CCCC1 34a_100011215328_100000090808 [0,1,0,1,0,0|2,0,0]=4 12054 B17R1.1377 COC(=O)COCCOCCCC1CCCC1 7a_100011215328_100000090808 [0,1,0,1,0,0|2,0,0]=4 12055 B17R1.1377 COC(=O)COCCSCCCC1CCCC1 62a_100000090808_100011713738 [0,1,0,1,0,0|2,0,0]=4 12056 B17R1.1377 COC(=O)COCCSCCCC1CCCC1 62a_100011713738_100000090808 [0,1,0,1,0,0|2,0,0]=4 12057 B17R1.1420 CCC1CCCCC1OCCCCC(=O)OC 34a_100000210738_100000204269 [0,1,0,1,0,0|1,0,0]=3 12058 B17R1.1420 CCC1CCCCC1OCCCCC(=O)OC 7a_100000210738_100000204269 [0,1,0,1,0,0|1,0,0]=3 12059 B17R1.1420 CCC1CCCCC1OCCOCC(=O)OC 34a_100000210738_100000090808 [0,1,0,1,0,0|2,0,0]=4 12060 B17R1.1420 CCC1CCCCC1OCCOCC(=O)OC 7a_100000210738_100000090808 [0,1,0,1,0,0|2,0,0]=4 12061 B17R1.1420 CCC1CCCCN1CCCCCC(=O)OC 2230a_100000210034_100009816466 [0,1,0,1,0,0|1,0,0]=3 12062 B17R1.1420 CCC1CCCCN1CCCCCC(=O)OC 269982a_100000210034_100009816466 [0,1,0,1,0,0|1,0,0]=3 12063 B17R1.1420 CCC1CCCCN1CCCCCC(=O)OC 34a_100000210034_100009816466 [0,1,0,1,0,0|1,0,0]=3 12064 B17R1.1420 CCC1CCCCN1CCCNCC(=O)OC 34a_100011191702_100000747449 [0,1,0,1,0,0|2,0,0]=4 12065 B17R1.1420 CCC1CCCCN1CCNCCC(=O)OC 2230a_100000755458_100000204255 [0,1,0,1,0,0|2,0,0]=4 12066 B17R1.1420 CCC1CCCCN1CCNCCC(=O)OC 34a_100000755458_100000742370 [0,1,0,1,0,0|2,0,0]=4 12067 B17R1.1420 CCN1CCCCC1CNCCCC(=O)OC 2230a_100000754393_100011218270 [0,1,0,1,0,0|2,0,0]=4 12068 B17R1.1420 CCN1CCCCC1CNCCCC(=O)OC 34a_100000754393_100000742333 [0,1,0,1,0,0|2,0,0]=4 12069 B17R1.1420 CCN1CCCCC1COCCCC(=O)OC 34a_100000225091_100000742333 [0,1,0,1,0,0|2,0,0]=4 12070 B17R1.1420 CCN1CCCCC1COCCCC(=O)OC 7a_100000225091_100011218270 [0,1,0,1,0,0|2,0,0]=4 12071 B17R1.1420 CC[C@H]1COCCN1CCCCCC(=O)OC 2230a_100016988097_100009816466 [0,1,0,1,0,0|2,0,0]=4 12072 B17R1.1420 CC[C@H]1COCCN1CCCCCC(=O)OC 269982a_100016988097_100009816466 [0,1,0,1,0,0|2,0,0]=4 12073 B17R1.1420 CC[C@H]1COCCN1CCCCCC(=O)OC 34a_100016988097_100009816466 [0,1,0,1,0,0|2,0,0]=4 12074 B17R1.1420 CN[C@@H]1CCCC[C@H]1OCCCCC(=O)OC 34a_100000708425_100000204269 [0,1,0,1,0,0|2,0,0]=4 12075 B17R1.1420 COC(=O)CCCCCN1CCCCC1CO 2230a_100000210821_100009816466 [0,1,0,1,0,0|2,0,0]=4 12076 B17R1.1420 COC(=O)CCCCCN1CCCCC1CO 269982a_100000210821_100009816466 [0,1,0,1,0,0|2,0,0]=4 12077 B17R1.1420 COC(=O)CCCCCN1CCCCC1CO 34a_100000210821_100009816466 [0,1,0,1,0,0|2,0,0]=4 12078 B17R1.1420 COC(=O)CCCCNC1CCCCC1OC 34a_100011208099_100000204269 [0,1,0,1,0,0|2,0,0]=4 12079 B17R1.1420 COC(=O)CCCCOC1CCCCC1CN 34a_100011216029_100000204269 [0,1,0,1,0,0|2,0,0]=4 12080 B17R1.1420 COC(=O)CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000204269 [0,1,0,1,0,0|2,0,0]=4 12081 B17R1.1420 COC(=O)CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000204269 [0,1,0,1,0,0|2,0,0]=4 12082 B17R1.1504 CCCCCC1CCCC1NCCC(=O)NC 269862a_100000738227_200000198059 [0,1,0,1,0,0|2,0,0]=4 12083 B17R1.1504 CCCCCC1CCCC1NCCC(=O)NC 270004a_100000738227_200000198059 [0,1,0,1,0,0|2,0,0]=4 12084 B17R1.4157 CCCCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210681 [0,1,0,1,0,0|2,0,0]=4 12085 B17R1.4157 CCCCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210681 [0,1,0,1,0,0|2,0,0]=4 12086 B17R1.4157 CCCCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000210614 [0,1,0,1,0,0|2,0,0]=4 12087 B17R1.4157 CCCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210681 [0,1,0,1,0,0|1,0,0]=3 12088 B17R1.4157 CCCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210681 [0,1,0,1,0,0|1,0,0]=3 12089 B17R1.4157 CCCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210614 [0,1,0,1,0,0|1,0,0]=3 12090 B17R1.4157 CCCCCCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210681 [0,1,0,1,0,0|2,0,0]=4 12091 B17R1.4157 CCCCCCCN1CCOCC1C(=O)OC 34a_100000765174_100000210614 [0,1,0,1,0,0|2,0,0]=4 12092 B17R1.4157 CCCCCCOC1CCNCC1C(=O)OC 34a_200103168510_100000210314 [0,1,0,1,0,0|2,0,0]=4 12093 B17R1.4157 CCCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210314 [0,1,0,1,0,0|1,0,0]=3 12094 B17R1.4157 CCCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210314 [0,1,0,1,0,0|1,0,0]=3 12095 B17R1.4157 CCCCOCCN1CCCCC1C(=O)OC 2230a_100000734855_100000743108 [0,1,0,1,0,0|2,0,0]=4 12096 B17R1.4157 CCCCOCCN1CCCCC1C(=O)OC 269982a_100000734855_100000743108 [0,1,0,1,0,0|2,0,0]=4 12097 B17R1.4157 CCCCOCCN1CCCCC1C(=O)OC 34a_100000734855_100000743108 [0,1,0,1,0,0|2,0,0]=4 12098 B17R1.4157 CCCCOCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100011995733 [0,1,0,1,0,0|2,0,0]=4 12099 B17R1.4157 CCCOCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100011215938 [0,1,0,1,0,0|2,0,0]=4 12100 B17R1.4157 CCCOCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100011215938 [0,1,0,1,0,0|2,0,0]=4 12101 B17R1.4157 CCOCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100012232248 [0,1,0,1,0,0|2,0,0]=4 12102 B17R1.4157 CCOCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100012232248 [0,1,0,1,0,0|2,0,0]=4 12103 B17R1.4157 COC(=O)C1CCCCN1CCCCCCF 2230a_100000734855_100015922095 [0,1,0,1,0,0|2,0,0]=4 12104 B17R1.4157 COC(=O)C1CCCCN1CCCCCCF 269982a_100000734855_100015922095 [0,1,0,1,0,0|2,0,0]=4 12105 B17R1.4157 COC(=O)C1CCCCN1CCCCCCF 34a_100000734855_100015922095 [0,1,0,1,0,0|2,0,0]=4 12106 B17R1.4157 COC(=O)C1CCCCN1CCCCCCO 2230a_100000734855_100000766143 [0,1,0,1,0,0|2,0,0]=4 12107 B17R1.4157 COC(=O)C1CCCCN1CCCCCCO 269982a_100000734855_100000766143 [0,1,0,1,0,0|2,0,0]=4 12108 B17R1.4157 COC(=O)C1CCCCN1CCCCCCO 34a_100000734855_100000766143 [0,1,0,1,0,0|2,0,0]=4 12109 B17R1.4157 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCF 34a_100015709673_100000729378 [0,1,0,1,0,0|2,0,0]=4 12110 B17R1.4157 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCF 7a_100015709673_100000729378 [0,1,0,1,0,0|2,0,0]=4 12111 B17R1.4157 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCO 34a_100015709673_100000746330 [0,1,0,1,0,0|2,0,0]=4 12112 B17R1.4157 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCCO 7a_100015709673_100000746330 [0,1,0,1,0,0|2,0,0]=4 12113 B17R1.4157 COCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000755781 [0,1,0,1,0,0|2,0,0]=4 12114 B17R1.4157 COCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000730899 [0,1,0,1,0,0|2,0,0]=4 12115 B17R1.4167 CCCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210681 [0,1,0,1,0,0|1,0,0]=3 12116 B17R1.4167 CCCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210681 [0,1,0,1,0,0|1,0,0]=3 12117 B17R1.4167 CCCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210614 [0,1,0,1,0,0|1,0,0]=3 12118 B17R1.4167 CCCCOCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000743108 [0,1,0,1,0,0|2,0,0]=4 12119 B17R1.4167 CCCCOCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000743108 [0,1,0,1,0,0|2,0,0]=4 12120 B17R1.4167 CCCCOCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000743108 [0,1,0,1,0,0|2,0,0]=4 12121 B17R1.4167 COC(=O)C[C@H]1CCCN1CCCCCCF 2230a_100025726698_100015922095 [0,1,0,1,0,0|2,0,0]=4 12122 B17R1.4167 COC(=O)C[C@H]1CCCN1CCCCCCF 269982a_100025726698_100015922095 [0,1,0,1,0,0|2,0,0]=4 12123 B17R1.4167 COC(=O)C[C@H]1CCCN1CCCCCCF 34a_100025726698_100015922095 [0,1,0,1,0,0|2,0,0]=4 12124 B17R1.4167 COC(=O)C[C@H]1CCCN1CCCCCCO 2230a_100025726698_100000766143 [0,1,0,1,0,0|2,0,0]=4 12125 B17R1.4167 COC(=O)C[C@H]1CCCN1CCCCCCO 269982a_100025726698_100000766143 [0,1,0,1,0,0|2,0,0]=4 12126 B17R1.4167 COC(=O)C[C@H]1CCCN1CCCCCCO 34a_100025726698_100000766143 [0,1,0,1,0,0|2,0,0]=4 12127 B17R1.5249 CCCCCCCCCCCNC1CCC1=O 34a_200011215754_100009892977 [0,1,0,1,0,0|2,0,0]=4 12128 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 34a_100000210809_100009892977 [0,1,0,1,0,0|2,0,0]=4 12129 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 7a_100000210809_100009892977 [0,1,0,1,0,0|2,0,0]=4 12130 B17R1.5249 CCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011215454 [0,1,0,1,0,0|2,0,0]=4 12131 B17R1.5249 CCCCCCCCCNCCC1CCC1=O 2230a_100000212291_200016118888 [0,1,0,1,0,0|2,0,0]=4 12132 B17R1.5249 CCCCCCCCCOCCC1CCC1=O 7a_100000210712_200016118888 [0,1,0,1,0,0|2,0,0]=4 12133 B17R1.5249 CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210670 [0,1,0,1,0,0|2,0,0]=4 12134 B17R1.5256 CCCCC1CCCC1NCCCC(=O)NC 269862a_100000740002_100000750825 [0,1,0,1,0,0|2,0,0]=4 12135 B17R1.5256 CCCCC1CCCC1NCCCC(=O)NC 270004a_100000740002_100000750825 [0,1,0,1,0,0|2,0,0]=4 12136 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210759 [0,1,0,1,0,0|2,0,0]=4 12137 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210759 [0,1,0,1,0,0|2,0,0]=4 12138 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210759 [0,1,0,1,0,0|2,0,0]=4 12139 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210759 [0,1,0,1,0,0|1,0,0]=3 12140 B17R1.7908 CCCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210759 [0,1,0,1,0,0|1,0,0]=3 12141 B17R1.7908 CCCCCCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210759 [0,1,0,1,0,0|2,0,0]=4 12142 B17R1.7908 CCCCCCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210759 [0,1,0,1,0,0|2,0,0]=4 12143 B17R1.7908 CCCCCCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210759 [0,1,0,1,0,0|2,0,0]=4 12144 B17R1.7908 CCCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210614 [0,1,0,1,0,0|1,0,0]=3 12145 B17R1.7908 CCCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210614 [0,1,0,1,0,0|1,0,0]=3 12146 B17R1.7908 CCCCOCCOC1CCCC1C(=O)OC 34a_200000081814_100000743108 [0,1,0,1,0,0|2,0,0]=4 12147 B17R1.7908 CCCCOCCOC1CCCC1C(=O)OC 7a_200000081814_100000743108 [0,1,0,1,0,0|2,0,0]=4 12148 B17R1.7908 COC(=O)C1CCCC1OCCCCCCF 34a_200000081814_100015922095 [0,1,0,1,0,0|2,0,0]=4 12149 B17R1.7908 COC(=O)C1CCCC1OCCCCCCF 7a_200000081814_100015922095 [0,1,0,1,0,0|2,0,0]=4 12150 B17R1.7908 COC(=O)C1CCCC1OCCCCCCO 34a_200000081814_100000766143 [0,1,0,1,0,0|2,0,0]=4 12151 B17R1.7908 COC(=O)C1CCCC1OCCCCCCO 7a_200000081814_100000766143 [0,1,0,1,0,0|2,0,0]=4 12152 B17R1.7908 COC(=O)[C@@H]1CCCN1CCCCCCCO 2230a_100000752040_100000760002 [0,1,0,1,0,0|2,0,0]=4 12153 B17R1.7908 COC(=O)[C@@H]1CCCN1CCCCCCCO 269982a_100000752040_100000760002 [0,1,0,1,0,0|2,0,0]=4 12154 B17R1.7908 COCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011998445 [0,1,0,1,0,0|2,0,0]=4 12155 B17R1.7908 COCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100011998445 [0,1,0,1,0,0|2,0,0]=4 12156 B17R1.16941 COCCCC1CCCCN1CCC(=O)OC 2230a_100011804088_100000204255 [0,1,0,1,0,0|2,0,0]=4 12157 B17R1.16941 COCCCC1CCCCN1CCC(=O)OC 269982a_100011804088_100000204255 [0,1,0,1,0,0|2,0,0]=4 12158 B17R1.16941 COCCCC1CCCCN1CCC(=O)OC 34a_100011804088_100000742370 [0,1,0,1,0,0|2,0,0]=4 12159 B17R1.17837 COCC1CCN1CCCCCCC(=O)OC 2230a_100015195929_100009815986 [0,1,0,1,0,0|2,0,0]=4 12160 B17R1.17837 COCC1CCN1CCCCCCC(=O)OC 269982a_100015195929_100009815986 [0,1,0,1,0,0|2,0,0]=4 12161 B17R1.17837 COCC1CCN1CCCCCCC(=O)OC 34a_100015195929_100009815986 [0,1,0,1,0,0|2,0,0]=4 12162 B17R1.23822 O=C(CO)C1CCCCCCCCCCC1=O 1458a_100000210174_200009990614 [0,1,0,1,0,0|1,0,1]=4 12163 B17R1.24152 COC(=O)CCCCCCCCCN1CCC1 269982a_100000754969_100009813843 [0,1,0,1,0,0|1,0,0]=3 12164 B17R1.24152 COC(=O)CCCCCCCCNC1CCC1 2230a_100000749019_100010282707 [0,1,0,1,0,0|1,0,0]=3 12165 B17R1.24152 COC(=O)CCCCCCCCNC1CCC1 34a_100000749019_100010282707 [0,1,0,1,0,0|1,0,0]=3 12166 B17R1.24152 COC(=O)CCCCCCCCNC1COC1 2230a_100016991112_100010282707 [0,1,0,1,0,0|2,0,0]=4 12167 B17R1.24152 COC(=O)CCCCCCCCOC1CCC1 34a_100000035544_100000749161 [0,1,0,1,0,0|1,0,0]=3 12168 B17R1.24152 COC(=O)CCCCCCCCOC1CCC1 34a_100000748187_100010282707 [0,1,0,1,0,0|1,0,0]=3 12169 B17R1.24152 COC(=O)CCCCCCCCOC1COC1 34a_100000035544_100009818527 [0,1,0,1,0,0|2,0,0]=4 12170 B17R1.24152 COC(=O)CCCCCCCCOC1COC1 7a_100000035544_100009818527 [0,1,0,1,0,0|2,0,0]=4 12171 B17R1.24152 COC(=O)CCCCCCCCOC1CSC1 7a_100000072292_100010282707 [0,1,0,1,0,0|2,0,0]=4 12172 B17R1.24152 COC(=O)CCCCCCCCSC1CCC1 62a_100010282707_100000749161 [0,1,0,1,0,0|1,0,0]=3 12173 B17R1.24152 COC(=O)CCCCCCCCSC1COC1 62a_100010282707_100009818527 [0,1,0,1,0,0|2,0,0]=4 12174 B17R1.24152 COC(=O)CCCCCCCNCC1CCC1 2230a_100000738700_100010004213 [0,1,0,1,0,0|1,0,0]=3 12175 B17R1.24152 COC(=O)CCCCCCCNCC1CCC1 34a_100000738700_100010004213 [0,1,0,1,0,0|1,0,0]=3 12176 B17R1.24152 COC(=O)CCCCCCCNCC1COC1 2230a_100015281925_100010004213 [0,1,0,1,0,0|2,0,0]=4 12177 B17R1.24152 COC(=O)CCCCCCCNCC1COC1 34a_100015281925_100010004213 [0,1,0,1,0,0|2,0,0]=4 12178 B17R1.24152 COC(=O)CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100010004213 [0,1,0,1,0,0|2,0,0]=4 12179 B17R1.24152 COC(=O)CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100010004213 [0,1,0,1,0,0|2,0,0]=4 12180 B17R1.24152 COC(=O)CCCCCCCOCC1CCC1 34a_100000760304_100010004213 [0,1,0,1,0,0|1,0,0]=3 12181 B17R1.24152 COC(=O)CCCCCCCOCC1CCC1 34a_100011022521_100000763275 [0,1,0,1,0,0|1,0,0]=3 12182 B17R1.24152 COC(=O)CCCCCCCOCC1CCC1 7a_100011022521_100000763275 [0,1,0,1,0,0|1,0,0]=3 12183 B17R1.24152 COC(=O)CCCCCCCOCC1CCO1 34a_100000039022_100010004213 [0,1,0,1,0,0|2,0,0]=4 12184 B17R1.24152 COC(=O)CCCCCCCOCC1CCO1 34a_100011022521_100000103362 [0,1,0,1,0,0|2,0,0]=4 12185 B17R1.24152 COC(=O)CCCCCCCOCC1CCO1 7a_100011022521_100000103362 [0,1,0,1,0,0|2,0,0]=4 12186 B17R1.24152 COC(=O)CCCCCCCOCC1CNC1 34a_100016987283_100010004213 [0,1,0,1,0,0|2,0,0]=4 12187 B17R1.24152 COC(=O)CCCCCCCOCC1COC1 34a_100000060846_100010004213 [0,1,0,1,0,0|2,0,0]=4 12188 B17R1.24152 COC(=O)CCCCCCCOCC1COC1 34a_100011022521_100010264016 [0,1,0,1,0,0|2,0,0]=4 12189 B17R1.24152 COC(=O)CCCCCCCOCC1COC1 7a_100011022521_100010264016 [0,1,0,1,0,0|2,0,0]=4 12190 B17R1.24152 COC(=O)CCCCCCCSCC1CCC1 62a_100000763275_100010004213 [0,1,0,1,0,0|1,0,0]=3 12191 B17R1.24152 COC(=O)CCCCCCCSCC1CCC1 62a_100010004213_100000763275 [0,1,0,1,0,0|1,0,0]=3 12192 B17R1.24152 COC(=O)CCCCCCCSCC1CCO1 62a_100000103362_100010004213 [0,1,0,1,0,0|2,0,0]=4 12193 B17R1.24152 COC(=O)CCCCCCCSCC1CCO1 62a_100010004213_100000103362 [0,1,0,1,0,0|2,0,0]=4 12194 B17R1.24152 COC(=O)CCCCCCCSCC1COC1 62a_100010004213_100010264016 [0,1,0,1,0,0|2,0,0]=4 12195 B17R1.24152 COC(=O)CCCCCCCSCC1COC1 62a_100010264016_100010004213 [0,1,0,1,0,0|2,0,0]=4 12196 B17R1.24152 COC(=O)CCCCCCOCCC1COC1 34a_100009855314_100009815986 [0,1,0,1,0,0|2,0,0]=4 12197 B17R1.24253 CNC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000741757 [0,1,0,1,0,0|2,0,0]=4 12198 B17R1.24253 CNC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100000741757 [0,1,0,1,0,0|2,0,0]=4 12199 B17R1.24253 CNC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000737683 [0,1,0,1,0,0|2,0,0]=4 12200 B17R1.24253 CNC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100012179268 [0,1,0,1,0,0|2,0,0]=4 12201 B17R1.24253 COC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009816466 [0,1,0,1,0,0|1,0,0]=3 12202 B17R1.24253 COC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009816466 [0,1,0,1,0,0|1,0,0]=3 12203 B17R1.24253 COC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009816466 [0,1,0,1,0,0|1,0,0]=3 12204 B17R1.24253 COC(=O)CCCCNC1CCCCCCC1 2230a_100000211152_100000204269 [0,1,0,1,0,0|1,0,0]=3 12205 B17R1.24253 COC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100000204269 [0,1,0,1,0,0|1,0,0]=3 12206 B17R1.24253 COC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100000204269 [0,1,0,1,0,0|1,0,0]=3 12207 B17R1.24253 COC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000204269 [0,1,0,1,0,0|1,0,0]=3 12208 B17R1.24253 COC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000742333 [0,1,0,1,0,0|1,0,0]=3 12209 B17R1.24253 COC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011218270 [0,1,0,1,0,0|1,0,0]=3 12210 B17R1.24253 COC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000204255 [0,1,0,1,0,0|1,0,0]=3 12211 B17R1.24253 COC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000742370 [0,1,0,1,0,0|1,0,0]=3 12212 B17R1.24253 COC(=O)COCCNC1CCCCCCC1 2230a_100000211152_100000090808 [0,1,0,1,0,0|2,0,0]=4 12213 B17R1.24253 COC(=O)COCCNC1CCCCCCC1 34a_100000211152_100000090808 [0,1,0,1,0,0|2,0,0]=4 12214 B17R1.24253 COC(=O)COCCOC1CCCCCCC1 34a_100000210054_100000090808 [0,1,0,1,0,0|2,0,0]=4 12215 B17R1.24253 COC(=O)COCCOC1CCCCCCC1 7a_100000210054_100000090808 [0,1,0,1,0,0|2,0,0]=4 12216 B17R1.24374 COC(=O)CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100010004213 [0,1,0,1,0,0|1,0,0]=3 12217 B17R1.24374 COC(=O)CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100010004213 [0,1,0,1,0,0|1,0,0]=3 12218 B17R1.24374 COC(=O)CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100010004213 [0,1,0,1,0,0|1,0,0]=3 12219 B17R1.24374 COC(=O)CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100010004213 [0,1,0,1,0,0|1,0,0]=3 12220 B17R1.24374 COC(=O)CCCCCCCN1CCC[C@H]1C 34a_100015189458_100010004213 [0,1,0,1,0,0|1,0,0]=3 12221 B17R1.24374 COC(=O)CCCCCCCN1CCSC1C 2230a_200011216479_100010004213 [0,1,0,1,0,0|2,0,0]=4 12222 B17R1.24374 COC(=O)CCCCCCCN1CCSC1C 269982a_200011216479_100010004213 [0,1,0,1,0,0|2,0,0]=4 12223 B17R1.24374 COC(=O)CCCCCCCN1CCSC1C 34a_200011216479_100010004213 [0,1,0,1,0,0|2,0,0]=4 12224 B17R1.24374 COC(=O)CCCCCCOC1CCCC1C 34a_100011216460_100009815986 [0,1,0,1,0,0|1,0,0]=3 12225 B17R1.24374 COC(=O)CCCCCCOC1CCCC1C 7a_100011216460_100009815986 [0,1,0,1,0,0|1,0,0]=3 12226 B17R1.24374 COC(=O)CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009815986 [0,1,0,1,0,0|2,0,0]=4 12227 B17R1.24374 COC(=O)CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009815986 [0,1,0,1,0,0|2,0,0]=4 12228 B17R1.24374 COC(=O)CCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009815986 [0,1,0,1,0,0|2,0,0]=4 12229 B17R1.24374 COC(=O)CCCCCCS[C@@H]1CCC[C@H]1O 62a_100009815986_200016002552 [0,1,0,1,0,0|2,0,0]=4 12230 B17R1.24374 COC(=O)CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009815986 [0,1,0,1,0,0|2,0,0]=4 12231 B17R1.24374 COC(=O)CCCCCOCC1CCCN1C 34a_100000743107_100009816466 [0,1,0,1,0,0|2,0,0]=4 12232 B17R1.24374 COC(=O)CCCCOCCC1CCCN1C 34a_100000059025_100000005710 [0,1,0,1,0,0|2,0,0]=4 12233 B17R1.24374 COC(=O)CCCCOCCC1CCCN1C 34a_100011215177_100000204269 [0,1,0,1,0,0|2,0,0]=4 12234 B17R1.24374 COC(=O)CCCCOCCC1CCCN1C 7a_100000059025_100000005710 [0,1,0,1,0,0|2,0,0]=4 12235 B17R1.24374 COC(=O)CCCCOCCC1CCCN1C 7a_100011215177_100000204269 [0,1,0,1,0,0|2,0,0]=4 12236 B17R1.24374 COC(=O)CCCCSCCC1CCCN1C 62a_100000005710_100000204269 [0,1,0,1,0,0|2,0,0]=4 12237 B17R1.24374 COC(=O)CCCCSCCC1CCCN1C 62a_100000204269_100000005710 [0,1,0,1,0,0|2,0,0]=4 12238 B17R1.24379 COC(=O)CCCCCCCCN1CCC1C 269982a_100000755817_100010282707 [0,1,0,1,0,0|1,0,0]=3 12239 B17R1.24379 COC(=O)CCCCCCCCN1CCC1C 34a_100000755817_100010282707 [0,1,0,1,0,0|1,0,0]=3 12240 B17R1.25096 CCCCCCC1CCCC1NCC(=O)NC 269862a_100000693194_100000189428 [0,1,0,1,0,0|2,0,0]=4 12241 B17R1.25096 CCCCCCC1CCCC1NCC(=O)NC 270004a_100000693194_100000189428 [0,1,0,1,0,0|2,0,0]=4 12242 B17R1.25273 CCCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011214924 [0,1,0,1,0,0|1,0,0]=3 12243 B17R1.25273 CCCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210670 [0,1,0,1,0,0|1,0,0]=3 12244 B17R1.25273 COC(=O)[C@@H]1CCN1CCCCCCCCO 2230a_102516456887_100000033203 [0,1,0,1,0,0|2,0,0]=4 12245 B17R1.25273 COC(=O)[C@@H]1CCN1CCCCCCCCO 269982a_102516456887_100000033203 [0,1,0,1,0,0|2,0,0]=4 12246 B17R1.26472 CNC(=O)CCCNC1CCCCCCCC1 270004a_100000740002_100000038600 [0,1,0,1,0,0|2,0,0]=4 12247 B17R1.26472 COC(=O)CCCCN1CCCCCCCC1 2230a_100000039187_100000204269 [0,1,0,1,0,0|1,0,0]=3 12248 B17R1.26472 COC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000204269 [0,1,0,1,0,0|1,0,0]=3 12249 B17R1.26472 COC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100000204269 [0,1,0,1,0,0|1,0,0]=3 12250 B17R1.26472 COC(=O)COCCN1CCCCCCCC1 2230a_100000039187_100000090808 [0,1,0,1,0,0|2,0,0]=4 12251 B17R1.26472 COC(=O)COCCN1CCCCCCCC1 34a_100000039187_100000090808 [0,1,0,1,0,0|2,0,0]=4 12252 B17R1.26506 CNC(=O)CCCNCCC1CCCCCC1 2230a_100011532351_100000741757 [0,1,0,1,0,0|2,0,0]=4 12253 B17R1.26506 CNC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000741757 [0,1,0,1,0,0|2,0,0]=4 12254 B17R1.26506 COC(=O)CCCCCCN1CCCCCC1 2230a_100000185865_100009815986 [0,1,0,1,0,0|1,0,0]=3 12255 B17R1.26506 COC(=O)CCCCCCN1CCCCCC1 269982a_100000185865_100009815986 [0,1,0,1,0,0|1,0,0]=3 12256 B17R1.26506 COC(=O)CCCCCCN1CCCCCC1 34a_100000185865_100009815986 [0,1,0,1,0,0|1,0,0]=3 12257 B17R1.26506 COC(=O)CCCCCCN1CCCOCC1 2230a_100000685342_100009815986 [0,1,0,1,0,0|2,0,0]=4 12258 B17R1.26506 COC(=O)CCCCCCN1CCCOCC1 269982a_100000685342_100009815986 [0,1,0,1,0,0|2,0,0]=4 12259 B17R1.26506 COC(=O)CCCCCCN1CCCOCC1 34a_100000685342_100009815986 [0,1,0,1,0,0|2,0,0]=4 12260 B17R1.26506 COC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009816466 [0,1,0,1,0,0|1,0,0]=3 12261 B17R1.26506 COC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009816466 [0,1,0,1,0,0|1,0,0]=3 12262 B17R1.26506 COC(=O)CCCCCOC1CCCCCC1 34a_100000074720_100011217769 [0,1,0,1,0,0|1,0,0]=3 12263 B17R1.26506 COC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009816466 [0,1,0,1,0,0|1,0,0]=3 12264 B17R1.26506 COC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009816466 [0,1,0,1,0,0|1,0,0]=3 12265 B17R1.26506 COC(=O)CCCCCSC1CCCCCC1 62a_100009816466_100011217769 [0,1,0,1,0,0|1,0,0]=3 12266 B17R1.26506 COC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009816466 [0,1,0,1,0,0|1,0,0]=3 12267 B17R1.26506 COC(=O)CCCCNCC1CCCCCC1 2230a_100015204231_100000204269 [0,1,0,1,0,0|1,0,0]=3 12268 B17R1.26506 COC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100000204269 [0,1,0,1,0,0|1,0,0]=3 12269 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 34a_100000059025_200000696569 [0,1,0,1,0,0|1,0,0]=3 12270 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100000204269 [0,1,0,1,0,0|1,0,0]=3 12271 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 7a_100000059025_200000696569 [0,1,0,1,0,0|1,0,0]=3 12272 B17R1.26506 COC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000204269 [0,1,0,1,0,0|1,0,0]=3 12273 B17R1.26506 COC(=O)CCCCSCC1CCCCCC1 62a_100000204269_200000696569 [0,1,0,1,0,0|1,0,0]=3 12274 B17R1.26506 COC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000204269 [0,1,0,1,0,0|1,0,0]=3 12275 B17R1.26506 COC(=O)CCCNCCC1CCCCCC1 2230a_100011532351_100011218270 [0,1,0,1,0,0|1,0,0]=3 12276 B17R1.26506 COC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000742333 [0,1,0,1,0,0|1,0,0]=3 12277 B17R1.26506 COC(=O)CCCOCCN1CCCCCC1 34a_100000238007_100000742333 [0,1,0,1,0,0|2,0,0]=4 12278 B17R1.26506 COC(=O)CCCSCCN1CCCCCC1 62a_100000722644_100011218270 [0,1,0,1,0,0|2,0,0]=4 12279 B17R1.26506 COC(=O)CCCSCCN1CCCCCC1 62a_100011218270_100000722644 [0,1,0,1,0,0|2,0,0]=4 12280 B17R1.26506 COC(=O)CCOCCCN1CCCCCC1 34a_100102886287_100000742370 [0,1,0,1,0,0|2,0,0]=4 12281 B17R1.26506 COC(=O)CCOCCCN1CCCCCC1 7a_100102886287_100000204255 [0,1,0,1,0,0|2,0,0]=4 12282 B17R1.26506 COC(=O)COCCCCN1CCCCCC1 34a_100011305542_100000747449 [0,1,0,1,0,0|2,0,0]=4 12283 B17R1.26506 COC(=O)COCCNCC1CCCCCC1 2230a_100015204231_100000090808 [0,1,0,1,0,0|2,0,0]=4 12284 B17R1.26506 COC(=O)COCCNCC1CCCCCC1 34a_100015204231_100000090808 [0,1,0,1,0,0|2,0,0]=4 12285 B17R1.26506 COC(=O)COCCOCC1CCCCCC1 34a_100000699130_100000090808 [0,1,0,1,0,0|2,0,0]=4 12286 B17R1.26506 COC(=O)COCCOCC1CCCCCC1 7a_100000699130_100000090808 [0,1,0,1,0,0|2,0,0]=4 12287 B17R1.26506 COC(=O)COCCSCC1CCCCCC1 62a_100000090808_200000696569 [0,1,0,1,0,0|2,0,0]=4 12288 B17R1.26506 COC(=O)COCCSCC1CCCCCC1 62a_200000696569_100000090808 [0,1,0,1,0,0|2,0,0]=4 12289 B17R1.27076 CCC1CCCN1CCCCCCC(=O)OC 2230a_100000754278_100009815986 [0,1,0,1,0,0|1,0,0]=3 12290 B17R1.27076 CCC1CCCN1CCCCCCC(=O)OC 269982a_100000754278_100009815986 [0,1,0,1,0,0|1,0,0]=3 12291 B17R1.27076 CCC1CCCN1CCCCCCC(=O)OC 34a_100000754278_100009815986 [0,1,0,1,0,0|1,0,0]=3 12292 B17R1.27076 CCN1CCCC1CNCCCCC(=O)OC 2230a_100000211693_100000204269 [0,1,0,1,0,0|2,0,0]=4 12293 B17R1.27076 CCN1CCC[C@@H]1COCCCCC(=O)OC 34a_100011739246_100000204269 [0,1,0,1,0,0|2,0,0]=4 12294 B17R1.27076 CCN1CCC[C@@H]1COCCCCC(=O)OC 7a_100011739246_100000204269 [0,1,0,1,0,0|2,0,0]=4 12295 B17R1.27076 COC(=O)CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009815986 [0,1,0,1,0,0|2,0,0]=4 12296 B17R1.27076 COC(=O)CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009815986 [0,1,0,1,0,0|2,0,0]=4 12297 B17R1.27076 COC(=O)CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100009815986 [0,1,0,1,0,0|2,0,0]=4 12298 B17R1.29214 CCCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210320 [0,1,0,1,0,0|1,0,0]=3 12299 B17R1.29214 COC(=O)C1CN1CCCCCCCCCO 2230a_200009830135_100009813782 [0,1,0,1,0,0|2,0,0]=4 12300 B17R1.180031 C=CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000185746 [0,1,0,1,0,0|2,0,0]=4 12301 B17R1.180031 C=CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_200121576911 [0,1,0,1,0,0|2,0,0]=4 12302 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100000210414 [0,1,0,1,0,0|2,0,0]=4 12303 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100000210414 [0,1,0,1,0,0|2,0,0]=4 12304 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100000210414 [0,1,0,1,0,0|2,0,0]=4 12305 B17R1.180031 CCC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100000210414 [0,1,0,1,0,0|2,0,0]=4 12306 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100011194316_106832991635 [0,1,0,1,0,0|2,0,0]=4 12307 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 2708a_100102657272_100011194316 [0,1,0,1,0,0|2,0,0]=4 12308 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100011194316_100102657272 [0,1,0,1,0,0|2,0,0]=4 12309 B17R1.180031 CNC(=O)NC1CCCCCCCCCCC1 273464a_100102657272_100011194316 [0,1,0,1,0,0|2,0,0]=4 12310 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 240690a_100011194316_100000210174 [0,1,0,1,0,0|1,0,0]=3 12311 B17R1.180031 O=C(CO)NC1CCCCCCCCCCC1 527a_100011194316_100000210174 [0,1,0,1,0,0|1,0,0]=3 12312 B17R1.25095 CCCCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000189428 [0,1,0,1,0,0|2,0,0]=4 12313 B17R1.25283 CCCCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100011214924 [0,1,0,1,0,0|2,0,0]=4 12314 B17R1.25283 CCCCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210670 [0,1,0,1,0,0|2,0,0]=4 12315 B17R1.25283 CCCCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100011214924 [0,1,0,1,0,0|2,0,0]=4 12316 B17R1.25283 CCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210759 [0,1,0,1,0,0|1,0,0]=3 12317 B17R1.25283 COCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011998445 [0,1,0,1,0,0|2,0,0]=4 12318 B17R1.25283 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCCO 269956a_100015195206_100000760002 [0,1,0,1,0,0|2,0,0]=4 12319 B17R1.29207 CCCCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210320 [0,1,0,1,0,0|2,0,0]=4 12320 B17R1.29207 CCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210670 [0,1,0,1,0,0|1,0,0]=3 12321 B17R1.29207 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCCO 269956a_100000738708_100000033203 [0,1,0,1,0,0|2,0,0]=4 12322 B17R1.29491 CCCCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210759 [0,1,0,1,0,0|2,0,0]=4 12323 B17R1.29491 CCCCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210759 [0,1,0,1,0,0|2,0,0]=4 12324 B17R1.29491 CCCCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210759 [0,1,0,1,0,0|2,0,0]=4 12325 B17R1.29491 CCCCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210681 [0,1,0,1,0,0|2,0,0]=4 12326 B17R1.29491 CCCCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210614 [0,1,0,1,0,0|2,0,0]=4 12327 B17R1.29491 CCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210614 [0,1,0,1,0,0|1,0,0]=3 12328 B17R1.29491 CCCCOCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000743108 [0,1,0,1,0,0|2,0,0]=4 12329 B17R1.29491 O=C(O)C1CCCC(C1)NCCCCCCF 269956a_100011216634_100015922095 [0,1,0,1,0,0|2,0,0]=4 12330 B17R1.29491 O=C(O)C1CCCC(C1)NCCCCCCO 269956a_100011216634_100000766143 [0,1,0,1,0,0|2,0,0]=4 12331 B17R1.34633 CC1(CCCCN1CCCCCCF)C(=O)O 269956a_100000698061_100015922095 [0,1,0,1,0,0|2,0,0]=4 12332 B17R1.34633 CC1(CCCCN1CCCCCCO)C(=O)O 269956a_100000698061_100000766143 [0,1,0,1,0,0|2,0,0]=4 12333 B17R1.34633 CCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210614 [0,1,0,1,0,0|1,0,0]=3 12334 B17R1.34633 CCCCOCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000743108 [0,1,0,1,0,0|2,0,0]=4 12335 B17R1.60419 CCCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210759 [0,1,0,1,0,0|1,0,0]=3 12336 B17R1.60419 COCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011998445 [0,1,0,1,0,0|2,0,0]=4 12337 B17R1.60419 C[C@]1(CCCN1CCCCCCCO)C(=O)O 269956a_100009816582_100000760002 [0,1,0,1,0,0|2,0,0]=4 12338 B17R1.321 C#CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100010269958 [0,1,0,1,0,0|0,0,2]=4 12339 B17R1.321 C=CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215482 [0,1,0,1,0,0|0,0,2]=4 12340 B17R1.321 CC/C=C\CCN1CCCCC1CCC(=O)O 269956a_100000694054_100015370543 [0,1,0,1,0,0|0,0,2]=4 12341 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [0,1,0,1,0,0|0,0,0]=2 12342 B17R1.321 CCCCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100011995733 [0,1,0,1,0,0|1,0,0]=3 12343 B17R1.321 CCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215938 [0,1,0,1,0,0|1,0,0]=3 12344 B17R1.321 CCOCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100012232248 [0,1,0,1,0,0|1,0,0]=3 12345 B17R1.321 COCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000730899 [0,1,0,1,0,0|1,0,0]=3 12346 B17R1.321 COCCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000231047 [0,1,0,1,0,0|2,0,0]=4 12347 B17R1.321 N#CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011219923 [0,1,0,1,0,0|1,0,1]=4 12348 B17R1.321 O=C(O)CCC1CCCCN1CCCCCF 269956a_100000694054_100000729378 [0,1,0,1,0,0|1,0,0]=3 12349 B17R1.321 O=C(O)CCC1CCCCN1CCCCCO 269956a_100000694054_100000746330 [0,1,0,1,0,0|1,0,0]=3 12350 B17R1.321 O=C(O)CCC1CCCCN1CCOCCO 269956a_100000694054_100011215305 [0,1,0,1,0,0|2,0,0]=4 12351 B17R1.321 O=CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000139335 [0,1,0,1,0,0|1,0,1]=4 12352 B17R1.339 CCCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000189428 [0,1,0,1,0,0|1,0,0]=3 12353 B17R1.339 CCCCCCC1CCCC1NCCC(C)O 269862a_200000755665_100000189428 [0,1,0,1,0,0|1,0,1]=4 12354 B17R1.339 CCCCCCC1CCCC1NCCC(C)O 270004a_200000755665_100000189428 [0,1,0,1,0,0|1,0,1]=4 12355 B17R1.360 CCCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000723119 [0,1,0,1,0,0|2,0,0]=4 12356 B17R1.360 CCCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000723119 [0,1,0,1,0,0|2,0,0]=4 12357 B17R1.360 CCCN1CCCC1COCCCCC(=O)C 34a_200000694710_100009817362 [0,1,0,1,0,0|2,0,0]=4 12358 B17R1.360 CCCN1CCCC1COCCCCC(=O)C 7a_200000694710_100000735457 [0,1,0,1,0,0|2,0,0]=4 12359 B17R1.716 CCCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210320 [0,1,0,1,0,0|1,0,1]=4 12360 B17R1.716 CCCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210320 [0,1,0,1,0,0|1,0,1]=4 12361 B17R1.716 CCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210320 [0,1,0,1,0,0|2,0,0]=4 12362 B17R1.716 CCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210320 [0,1,0,1,0,0|2,0,0]=4 12363 B17R1.716 CCCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100011214924 [0,1,0,1,0,0|1,0,1]=4 12364 B17R1.716 CCCCCCCCCNC1CCCC(C1)O 270004a_100000212291_100012613340 [0,1,0,1,0,0|1,0,1]=4 12365 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011214924 [0,1,0,1,0,0|2,0,0]=4 12366 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011214924 [0,1,0,1,0,0|2,0,0]=4 12367 B17R1.716 CCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011214924 [0,1,0,1,0,0|1,0,0]=3 12368 B17R1.716 CCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011214924 [0,1,0,1,0,0|2,0,0]=4 12369 B17R1.716 CCCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210759 [0,1,0,1,0,0|1,0,1]=4 12370 B17R1.716 CCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210759 [0,1,0,1,0,0|1,0,0]=3 12371 B17R1.716 CCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210759 [0,1,0,1,0,0|2,0,0]=4 12372 B17R1.716 CCCCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210759 [0,1,0,1,0,0|2,0,0]=4 12373 B17R1.716 COCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100011998445 [0,1,0,1,0,0|2,0,0]=4 12374 B17R1.716 O=C1CCCC(C1)OCCCCCCCCO 34a_100012613340_100000033203 [0,1,0,1,0,0|2,0,0]=4 12375 B17R1.716 O=C1CCCC(N1)COCCCCCCCO 34a_200000102386_100000760002 [0,1,0,1,0,0|2,0,0]=4 12376 B17R1.747 CCCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100011218038 [0,1,0,1,0,0|1,0,0]=3 12377 B17R1.747 CCCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100011218038 [0,1,0,1,0,0|1,0,0]=3 12378 B17R1.747 CCCC1CCCCC1NCCCNC(=O)C 269862a_100000736810_100011218038 [0,1,0,1,0,0|2,0,0]=4 12379 B17R1.747 CCCC1CCCCC1NCCCNC(=O)C 270004a_100000736810_100011218038 [0,1,0,1,0,0|2,0,0]=4 12380 B17R1.747 CCCC1CCCCC1OCCCCB(O)O 34a_100011217265_200009817182 [0,1,0,1,0,0|1,0,1]=4 12381 B17R1.747 CCCC1CCCCC1OCCCCB(O)O 7a_100011217265_200009817182 [0,1,0,1,0,0|1,0,1]=4 12382 B17R1.747 CCCC1CCCCC1OCCCCC(=O)C 34a_100011217265_100009817362 [0,1,0,1,0,0|1,0,0]=3 12383 B17R1.747 CCCC1CCCCC1OCCCCC(=O)C 7a_100011217265_100000735457 [0,1,0,1,0,0|1,0,0]=3 12384 B17R1.747 CCCC1CCCCC1OCCCOC(=O)C 34a_100011217265_100000042594 [0,1,0,1,0,0|2,0,0]=4 12385 B17R1.747 CCCC1CCCCC1OCCCOC(=O)C 7a_100011217265_100000042594 [0,1,0,1,0,0|2,0,0]=4 12386 B17R1.747 CCCC1CCCCC1OCCCSC(=O)C 34a_100011217265_100000038929 [0,1,0,1,0,0|2,0,0]=4 12387 B17R1.747 CCCC1CCCCC1OCCCSC(=O)C 7a_100011217265_100000038929 [0,1,0,1,0,0|2,0,0]=4 12388 B17R1.747 CCCC1CCCCC1OCCOCC(=O)N 34a_100011217265_100000076697 [0,1,0,1,0,0|2,0,0]=4 12389 B17R1.747 CCCC1CCCCC1OCCOCC(=O)N 7a_100011217265_100000076697 [0,1,0,1,0,0|2,0,0]=4 12390 B17R1.747 CCCC1CCCCN1CCCCCB(O)O 2230a_100000701414_200009817188 [0,1,0,1,0,0|1,0,1]=4 12391 B17R1.747 CCCC1CCCCN1CCCCCB(O)O 269982a_100000701414_200009817188 [0,1,0,1,0,0|1,0,1]=4 12392 B17R1.747 CCCC1CCCCN1CCCCCB(O)O 34a_100000701414_200009817188 [0,1,0,1,0,0|1,0,1]=4 12393 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 2230a_100000701414_100009817443 [0,1,0,1,0,0|1,0,0]=3 12394 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 269982a_100000701414_100009817443 [0,1,0,1,0,0|1,0,0]=3 12395 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 34a_100000701414_100009817443 [0,1,0,1,0,0|1,0,0]=3 12396 B17R1.747 CCCC1CCCCN1CCCCOC(=O)C 269982a_100000701414_100000033659 [0,1,0,1,0,0|2,0,0]=4 12397 B17R1.747 CCCC1CCCCN1CCCCOC(=O)C 34a_100000701414_100000033659 [0,1,0,1,0,0|2,0,0]=4 12398 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 2230a_100000701414_200010402107 [0,1,0,1,0,0|2,0,0]=4 12399 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 269982a_100000701414_200010402107 [0,1,0,1,0,0|2,0,0]=4 12400 B17R1.747 CCCC1CCCCN1CCCCSC(=O)C 34a_100000701414_200010402107 [0,1,0,1,0,0|2,0,0]=4 12401 B17R1.747 CCCC1COCCN1CCCCCC(=O)N 2230a_102495339903_100009817443 [0,1,0,1,0,0|2,0,0]=4 12402 B17R1.747 CCCC1COCCN1CCCCCC(=O)N 269982a_102495339903_100009817443 [0,1,0,1,0,0|2,0,0]=4 12403 B17R1.747 CCCC1COCCN1CCCCCC(=O)N 34a_102495339903_100009817443 [0,1,0,1,0,0|2,0,0]=4 12404 B17R1.747 CCOC1CCCCC1NCCCCC(=O)N 270004a_100000696515_200000031474 [0,1,0,1,0,0|2,0,0]=4 12405 B17R1.747 COCC1CCCCN1CCCCCC(=O)N 2230a_100015184032_100009817443 [0,1,0,1,0,0|2,0,0]=4 12406 B17R1.747 COCC1CCCCN1CCCCCC(=O)N 269982a_100015184032_100009817443 [0,1,0,1,0,0|2,0,0]=4 12407 B17R1.747 COCC1CCCCN1CCCCCC(=O)N 34a_100015184032_100009817443 [0,1,0,1,0,0|2,0,0]=4 12408 B17R1.747 NC(=O)CCCCCN1CCCCC1CCO 2230a_100000211664_100009817443 [0,1,0,1,0,0|2,0,0]=4 12409 B17R1.747 NC(=O)CCCCCN1CCCCC1CCO 269982a_100000211664_100009817443 [0,1,0,1,0,0|2,0,0]=4 12410 B17R1.747 NC(=O)CCCCCN1CCCCC1CCO 34a_100000211664_100009817443 [0,1,0,1,0,0|2,0,0]=4 12411 B17R1.1294 CC(=O)CCCCN1CCCCC1CCCO 269982a_100011934581_100000735457 [0,1,0,1,0,0|2,0,0]=4 12412 B17R1.1294 CC(=O)CCCCN1CCCCC1CCCO 34a_100011934581_100009817362 [0,1,0,1,0,0|2,0,0]=4 12413 B17R1.1294 COCCC1CCCCN1CCCCC(=O)C 269982a_100015186528_100000735457 [0,1,0,1,0,0|2,0,0]=4 12414 B17R1.1294 COCCC1CCCCN1CCCCC(=O)C 34a_100015186528_100009817362 [0,1,0,1,0,0|2,0,0]=4 12415 B17R1.1307 CCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000750825 [0,1,0,1,0,0|1,0,0]=3 12416 B17R1.1307 CCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000750825 [0,1,0,1,0,0|1,0,0]=3 12417 B17R1.1307 CCCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000750825 [0,1,0,1,0,0|2,0,0]=4 12418 B17R1.1307 CCCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000750825 [0,1,0,1,0,0|2,0,0]=4 12419 B17R1.1411 CCC1CCCC1NCCCCCNC(=O)C 269862a_200012022750_100000749056 [0,1,0,1,0,0|2,0,0]=4 12420 B17R1.1411 CCC1CCCC1NCCCCCNC(=O)C 270004a_200012022750_100000749056 [0,1,0,1,0,0|2,0,0]=4 12421 B17R1.1411 CCN1CCCC1CNCCCCCC(=O)N 2230a_100000211693_100009817443 [0,1,0,1,0,0|2,0,0]=4 12422 B17R1.1411 CCN1CCC[C@@H]1COCCCCCC(=O)N 34a_100011739246_100009817443 [0,1,0,1,0,0|2,0,0]=4 12423 B17R1.1411 CCN1CCC[C@@H]1COCCCCCC(=O)N 7a_100011739246_100009817443 [0,1,0,1,0,0|2,0,0]=4 12424 B17R1.1419 CCC1CCCCC1NCCCCNC(=O)C 269862a_200011368371_100000757040 [0,1,0,1,0,0|2,0,0]=4 12425 B17R1.1419 CCC1CCCCC1NCCCCNC(=O)C 270004a_200011368371_100000757040 [0,1,0,1,0,0|2,0,0]=4 12426 B17R1.1419 CCC1CCCCC1OCCCCCB(O)O 34a_100000210738_200009817188 [0,1,0,1,0,0|1,0,1]=4 12427 B17R1.1419 CCC1CCCCC1OCCCCCB(O)O 7a_100000210738_200009817188 [0,1,0,1,0,0|1,0,1]=4 12428 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 34a_100000210738_100009817443 [0,1,0,1,0,0|1,0,0]=3 12429 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 7a_100000210738_100009817443 [0,1,0,1,0,0|1,0,0]=3 12430 B17R1.1419 CCC1CCCCC1OCCCCOC(=O)C 34a_100000210738_100000033659 [0,1,0,1,0,0|2,0,0]=4 12431 B17R1.1419 CCC1CCCCC1OCCCCOC(=O)C 7a_100000210738_100000033659 [0,1,0,1,0,0|2,0,0]=4 12432 B17R1.1419 CCC1CCCCC1OCCCCSC(=O)C 34a_100000210738_200010402107 [0,1,0,1,0,0|2,0,0]=4 12433 B17R1.1419 CCC1CCCCC1OCCCCSC(=O)C 7a_100000210738_200010402107 [0,1,0,1,0,0|2,0,0]=4 12434 B17R1.1419 CCC1CCCCN1CCCCCCB(O)O 2230a_100000210034_100009817187 [0,1,0,1,0,0|1,0,1]=4 12435 B17R1.1419 CCC1CCCCN1CCCCCCB(O)O 269982a_100000210034_100009817187 [0,1,0,1,0,0|1,0,1]=4 12436 B17R1.1419 CCC1CCCCN1CCCCCCB(O)O 34a_100000210034_100009817187 [0,1,0,1,0,0|1,0,1]=4 12437 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 2230a_100000210034_100009813381 [0,1,0,1,0,0|2,0,0]=4 12438 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 269982a_100000210034_100000033007 [0,1,0,1,0,0|2,0,0]=4 12439 B17R1.1419 CCC1CCCCN1CCCCCOC(=O)C 34a_100000210034_100000033007 [0,1,0,1,0,0|2,0,0]=4 12440 B17R1.1419 CCC1CCCCN1CCCNCCC(=O)N 34a_100011191702_100000731001 [0,1,0,1,0,0|2,0,0]=4 12441 B17R1.1419 CCC1CCCCN1CCNCCCC(=O)C 34a_100000755458_100000685027 [0,1,0,1,0,0|2,0,0]=4 12442 B17R1.1419 CCC1CCCCN1CCNCCCC(=O)N 34a_100000755458_100102525003 [0,1,0,1,0,0|2,0,0]=4 12443 B17R1.1419 CCN1CCCCC1CNCCCCC(=O)C 34a_100000754393_100009817362 [0,1,0,1,0,0|2,0,0]=4 12444 B17R1.1419 CCN1CCCCC1COCCCCC(=O)C 34a_100000225091_100009817362 [0,1,0,1,0,0|2,0,0]=4 12445 B17R1.1419 CCN1CCCCC1COCCCCC(=O)C 7a_100000225091_100000735457 [0,1,0,1,0,0|2,0,0]=4 12446 B17R1.1419 CN[C@@H]1CCCC[C@H]1OCCCCCC(=O)N 34a_100000708425_100009817443 [0,1,0,1,0,0|2,0,0]=4 12447 B17R1.1419 COC1CCCCC1NCCCCCC(=O)N 34a_100011208099_100009817443 [0,1,0,1,0,0|2,0,0]=4 12448 B17R1.1419 CO[C@H]1CCCC[C@@H]1OCCCCCC(=O)N 34a_200009815850_100009817443 [0,1,0,1,0,0|2,0,0]=4 12449 B17R1.1419 CO[C@H]1CCCC[C@@H]1OCCCCCC(=O)N 7a_200009815850_100009817443 [0,1,0,1,0,0|2,0,0]=4 12450 B17R1.1419 NCC1CCCCC1OCCCCCC(=O)N 34a_100011216029_100009817443 [0,1,0,1,0,0|2,0,0]=4 12451 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210326 [0,1,0,1,0,0|2,0,0]=4 12452 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210215 [0,1,0,1,0,0|2,0,0]=4 12453 B17R1.1488 CCCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000718602 [0,1,0,1,0,0|2,0,0]=4 12454 B17R1.1488 COCCCC1CCCCN1CCCC(=O)C 269982a_100011804088_100011215641 [0,1,0,1,0,0|2,0,0]=4 12455 B17R1.1488 COCCCC1CCCCN1CCCC(=O)C 34a_100011804088_100000685027 [0,1,0,1,0,0|2,0,0]=4 12456 B17R1.1488 COCCCC1CCCCN1CCCC(=O)N 269982a_100011804088_100102525003 [0,1,0,1,0,0|2,0,0]=4 12457 B17R1.1488 COCCCC1CCCCN1CCCC(=O)N 34a_100011804088_100102525003 [0,1,0,1,0,0|2,0,0]=4 12458 B17R1.1503 CCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_200000198059 [0,1,0,1,0,0|1,0,0]=3 12459 B17R1.1503 CCCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_200000198059 [0,1,0,1,0,0|2,0,0]=4 12460 B17R1.1503 CCCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_200000198059 [0,1,0,1,0,0|2,0,0]=4 12461 B17R1.1503 CCCCCC1CCCC1NCCNC(=O)N 269862a_100020590234_200000198059 [0,1,0,1,0,0|2,0,0]=4 12462 B17R1.1503 CCCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_200000198059 [0,1,0,1,0,0|2,0,0]=4 12463 B17R1.4140 C=C1CC(C1)CNCCCCCCCCCC 2230a_100102567296_100000210320 [0,1,0,1,0,0|2,0,0]=4 12464 B17R1.4140 C=C1CC(C1)CNCCCCCCCCCC 34a_100102567296_100000210320 [0,1,0,1,0,0|2,0,0]=4 12465 B17R1.4140 C=C1CC(C1)NCCCCCCCCCCC 2230a_100132301982_100011215454 [0,1,0,1,0,0|2,0,0]=4 12466 B17R1.4140 CCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000759014 [0,1,0,1,0,0|1,0,1]=4 12467 B17R1.4140 CCCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215454 [0,1,0,1,0,0|1,0,1]=4 12468 B17R1.4140 CCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100011215454 [0,1,0,1,0,0|1,0,0]=3 12469 B17R1.4140 CCCCCCCCCCNCC1CC(=O)C1 2230a_100000684558_100009874392 [0,1,0,1,0,0|1,0,0]=3 12470 B17R1.4140 CCCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100000210320 [0,1,0,1,0,0|1,0,1]=4 12471 B17R1.4140 CCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210320 [0,1,0,1,0,0|1,0,0]=3 12472 B17R1.4140 CCCCCCCCCCOCC1CC(=O)C1 7a_100000210711_100009874392 [0,1,0,1,0,0|1,0,0]=3 12473 B17R1.4140 CCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210320 [0,1,0,1,0,0|1,0,0]=3 12474 B17R1.4140 O=C1CC(C1)CNCCCCCCCCCO 2230a_100000078944_100009874392 [0,1,0,1,0,0|2,0,0]=4 12475 B17R1.4140 O=C1CC(C1)COCCCCCCCCCBr 7a_100009813782_100009874392 [0,1,0,1,0,0|2,0,0]=4 12476 B17R1.4140 O=C1CC(C1)COCCCCCCCCCCl 7a_100009868337_100009874392 [0,1,0,1,0,0|2,0,0]=4 12477 B17R1.4140 O=C1CC(C1)COCCCCCCCCCO 34a_100000101936_100009813782 [0,1,0,1,0,0|2,0,0]=4 12478 B17R1.4140 O=C1CC(C1)CSCCCCCCCCCO 62a_100009813782_100009874392 [0,1,0,1,0,0|2,0,0]=4 12479 B17R1.4140 O=C1CC(C1)CSCCCCCCCCCO 62a_100009874392_100009813782 [0,1,0,1,0,0|2,0,0]=4 12480 B17R1.4140 O=C1CC(C1)SCCCCCCCCCCO 62a_100009894365_200000033068 [0,1,0,1,0,0|2,0,0]=4 12481 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210681 [0,1,0,1,0,0|1,0,0]=3 12482 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210681 [0,1,0,1,0,0|1,0,0]=3 12483 B17R1.4154 CCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210614 [0,1,0,1,0,0|1,0,0]=3 12484 B17R1.4154 CCCCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100000743108 [0,1,0,1,0,0|2,0,0]=4 12485 B17R1.4154 CCCCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100000743108 [0,1,0,1,0,0|2,0,0]=4 12486 B17R1.4154 CCCCOCCN1CCCCC1CC(=O)N 34a_100015184752_100000743108 [0,1,0,1,0,0|2,0,0]=4 12487 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCF 2230a_100015184752_100015922095 [0,1,0,1,0,0|2,0,0]=4 12488 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCF 269982a_100015184752_100015922095 [0,1,0,1,0,0|2,0,0]=4 12489 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCF 34a_100015184752_100015922095 [0,1,0,1,0,0|2,0,0]=4 12490 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCO 2230a_100015184752_100000766143 [0,1,0,1,0,0|2,0,0]=4 12491 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCO 269982a_100015184752_100000766143 [0,1,0,1,0,0|2,0,0]=4 12492 B17R1.4154 NC(=O)CC1CCCCN1CCCCCCO 34a_100015184752_100000766143 [0,1,0,1,0,0|2,0,0]=4 12493 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 269862a_100000210904_200011216720 [0,1,0,1,0,0|1,0,1]=4 12494 B17R1.4165 CCCCCCCC1CCCC1NCC(C)O 270004a_100000210904_200011216720 [0,1,0,1,0,0|1,0,1]=4 12495 B17R1.5251 C#CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100153394163 [0,1,0,1,0,0|0,0,2]=4 12496 B17R1.5251 C=CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012355270 [0,1,0,1,0,0|0,0,2]=4 12497 B17R1.5251 CCCCC#CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000047210 [0,1,0,1,0,0|0,0,2]=4 12498 B17R1.5251 CCCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210670 [0,1,0,1,0,0|0,0,2]=4 12499 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011214924 [0,1,0,1,0,0|1,0,0]=3 12500 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [0,1,0,1,0,0|0,0,0]=2 12501 B17R1.5251 CCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210670 [0,1,0,1,0,0|1,0,0]=3 12502 B17R1.5251 CCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210670 [0,1,0,1,0,0|1,0,0]=3 12503 B17R1.5251 CCCCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210614 [0,1,0,1,0,0|2,0,0]=4 12504 B17R1.5251 CCCCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210614 [0,1,0,1,0,0|2,0,0]=4 12505 B17R1.5251 CCCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210614 [0,1,0,1,0,0|2,0,0]=4 12506 B17R1.5251 CCCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210614 [0,1,0,1,0,0|2,0,0]=4 12507 B17R1.5251 NC(=O)[C@@H]1CCCN1CCCCCCCCO 2230a_100000003125_100000033203 [0,1,0,1,0,0|2,0,0]=4 12508 B17R1.5251 O=C(O)C1SCCN1CCCCCCCCO 269956a_100000035718_100000033203 [0,1,0,1,0,0|2,0,0]=4 12509 B17R1.5251 O=C(O)[C@@H]1CCCN1CCCCCCCCO 269956a_100000743916_100000033203 [0,1,0,1,0,0|1,0,0]=3 12510 B17R1.5251 O=C(O)[C@@H]1CSCN1CCCCCCCCO 269956a_100000743924_100000033203 [0,1,0,1,0,0|2,0,0]=4 12511 B17R1.5777 C#CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012094781 [0,1,0,1,0,0|0,0,2]=4 12512 B17R1.5777 C=CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000700193 [0,1,0,1,0,0|0,0,2]=4 12513 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [0,1,0,1,0,0|0,0,0]=2 12514 B17R1.5777 CCCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000743108 [0,1,0,1,0,0|1,0,0]=3 12515 B17R1.5777 COCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000695917 [0,1,0,1,0,0|2,0,0]=4 12516 B17R1.5777 N#CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100009813376 [0,1,0,1,0,0|1,0,1]=4 12517 B17R1.5777 O=C(O)C1CCCCCN1CCCCCCF 269956a_100000758484_100015922095 [0,1,0,1,0,0|1,0,0]=3 12518 B17R1.5777 O=C(O)C1CCCCCN1CCCCCCO 269956a_100000758484_100000766143 [0,1,0,1,0,0|1,0,0]=3 12519 B17R1.5777 O=CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000139337 [0,1,0,1,0,0|1,0,1]=4 12520 B17R1.7901 C#CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012276617 [0,1,0,1,0,0|0,0,2]=4 12521 B17R1.7901 C#CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012094781 [0,1,0,1,0,0|0,0,2]=4 12522 B17R1.7901 C=CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215473 [0,1,0,1,0,0|0,0,2]=4 12523 B17R1.7901 C=CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000700193 [0,1,0,1,0,0|0,0,2]=4 12524 B17R1.7901 CCCCCC#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009816472 [0,1,0,1,0,0|0,0,2]=4 12525 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210759 [0,1,0,1,0,0|1,0,0]=3 12526 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210759 [0,1,0,1,0,0|1,0,0]=3 12527 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210759 [0,1,0,1,0,0|1,0,0]=3 12528 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [0,1,0,1,0,0|0,0,0]=2 12529 B17R1.7901 CCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210759 [0,1,0,1,0,0|1,0,0]=3 12530 B17R1.7901 CCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210759 [0,1,0,1,0,0|1,0,0]=3 12531 B17R1.7901 CCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210759 [0,1,0,1,0,0|1,0,0]=3 12532 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [0,1,0,1,0,0|0,0,0]=2 12533 B17R1.7901 CCCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000743108 [0,1,0,1,0,0|1,0,0]=3 12534 B17R1.7901 CCOCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011211534 [0,1,0,1,0,0|2,0,0]=4 12535 B17R1.7901 COCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100011998445 [0,1,0,1,0,0|2,0,0]=4 12536 B17R1.7901 COCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100011998445 [0,1,0,1,0,0|2,0,0]=4 12537 B17R1.7901 COCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100011998445 [0,1,0,1,0,0|2,0,0]=4 12538 B17R1.7901 COCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011998445 [0,1,0,1,0,0|1,0,0]=3 12539 B17R1.7901 COCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011998445 [0,1,0,1,0,0|2,0,0]=4 12540 B17R1.7901 COCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100011998445 [0,1,0,1,0,0|2,0,0]=4 12541 B17R1.7901 COCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100011998445 [0,1,0,1,0,0|2,0,0]=4 12542 B17R1.7901 COCCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216529 [0,1,0,1,0,0|2,0,0]=4 12543 B17R1.7901 COCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000695917 [0,1,0,1,0,0|2,0,0]=4 12544 B17R1.7901 N#CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813337 [0,1,0,1,0,0|1,0,1]=4 12545 B17R1.7901 N#CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009813376 [0,1,0,1,0,0|1,0,1]=4 12546 B17R1.7901 NC(=O)C1CCCCN1CCCCCCCO 2230a_100000181395_100000760002 [0,1,0,1,0,0|2,0,0]=4 12547 B17R1.7901 NC(=O)C1CCCCN1CCCCCCCO 269982a_100000181395_100000760002 [0,1,0,1,0,0|2,0,0]=4 12548 B17R1.7901 NC(=O)C1CCCCN1CCCCCCCO 34a_100000181395_100000760002 [0,1,0,1,0,0|2,0,0]=4 12549 B17R1.7901 O=C(O)C1CCSCN1CCCCCCCO 269956a_100015185162_100000760002 [0,1,0,1,0,0|2,0,0]=4 12550 B17R1.7901 O=C(O)C1CSCCN1CCCCCCCO 269956a_100011346106_100000760002 [0,1,0,1,0,0|2,0,0]=4 12551 B17R1.7901 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCF 269956a_100009816435_100015922095 [0,1,0,1,0,0|1,0,0]=3 12552 B17R1.7901 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCO 269956a_100009816435_100000766143 [0,1,0,1,0,0|1,0,0]=3 12553 B17R1.7901 O=C(O)[C@H]1CCCCN1CCCCCCCO 269956a_100000763471_100000760002 [0,1,0,1,0,0|1,0,0]=3 12554 B17R1.7901 O=C(O)[C@H]1COCCN1CCCCCCCO 269956a_100016993156_100000760002 [0,1,0,1,0,0|2,0,0]=4 12555 B17R1.7901 O=CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000139337 [0,1,0,1,0,0|1,0,1]=4 12556 B17R1.16233 C=C(C)CNC1CCCCCCCCCCC1 2230a_100011194316_100000748629 [0,1,0,1,0,0|2,0,0]=4 12557 B17R1.16233 C=C(C)CNC1CCCCCCCCCCC1 34a_100011194316_100000748629 [0,1,0,1,0,0|2,0,0]=4 12558 B17R1.16233 C=C(F)CNC1CCCCCCCCCCC1 2230a_100011194316_100009893438 [0,1,0,1,0,0|2,0,0]=4 12559 B17R1.16233 C=C(F)CNC1CCCCCCCCCCC1 34a_100011194316_100009893438 [0,1,0,1,0,0|2,0,0]=4 12560 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 2230a_100011194316_100011218427 [0,1,0,1,0,0|1,0,1]=4 12561 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 270004a_100000210904_100000210130 [0,1,0,1,0,0|1,0,1]=4 12562 B17R1.16233 CC(O)CNC1CCCCCCCCCCC1 34a_100011194316_100011218427 [0,1,0,1,0,0|1,0,1]=4 12563 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 34a_100000211378_100011218427 [0,1,0,1,0,0|1,0,1]=4 12564 B17R1.16233 CC(O)COC1CCCCCCCCCCC1 7a_100000211378_100011218427 [0,1,0,1,0,0|1,0,1]=4 12565 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 2230a_100011194316_100009817552 [0,1,0,1,0,0|1,0,1]=4 12566 B17R1.16233 C[C@@H](O)CNC1CCCCCCCCCCC1 34a_100011194316_100009817552 [0,1,0,1,0,0|1,0,1]=4 12567 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 34a_100000211378_100009817552 [0,1,0,1,0,0|1,0,1]=4 12568 B17R1.16233 C[C@@H](O)COC1CCCCCCCCCCC1 7a_100000211378_100009817552 [0,1,0,1,0,0|1,0,1]=4 12569 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000747473 [0,1,0,1,0,0|1,0,0]=3 12570 B17R1.16233 NC(=O)CNC1CCCCCCCCCCC1 34a_100011194316_100000187820 [0,1,0,1,0,0|1,0,0]=3 12571 B17R1.16233 NC(=O)COC1CCCCCCCCCCC1 34a_100000211378_100000187820 [0,1,0,1,0,0|1,0,0]=3 12572 B17R1.16233 NC(=O)COC1CCCCCCCCCCC1 7a_100000211378_100000187820 [0,1,0,1,0,0|1,0,0]=3 12573 B17R1.16233 O=C([O-])CNC1CCCCCCCCCCC1 34a_100011194316_100020667443 [0,1,0,1,0,0|0,0,1]=3 12574 B17R1.16233 O=C([O-])COC1CCCCCCCCCCC1 34a_100000211378_100020667443 [0,1,0,1,0,0|0,0,1]=3 12575 B17R1.16233 O=[N+]([O-])CNC1CCCCCCCCCCC1 34a_100011194316_100000761209 [0,1,0,1,0,0|1,0,1]=4 12576 B17R1.16233 O=[N+]([O-])COC1CCCCCCCCCCC1 34a_100000211378_100000761209 [0,1,0,1,0,0|1,0,1]=4 12577 B17R1.16477 NC(=O)CCCCCCCCCCNC1CC1 34a_100000212008_200010167045 [0,1,0,1,0,0|1,0,0]=3 12578 B17R1.16477 NC(=O)CCCCCCCCCCSC1CC1 62a_200010167045_100000211595 [0,1,0,1,0,0|1,0,0]=3 12579 B17R1.16927 CCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011214924 [0,1,0,1,0,0|1,0,1]=4 12580 B17R1.16927 CCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011214924 [0,1,0,1,0,0|1,0,1]=4 12581 B17R1.17889 C#CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215417 [0,1,0,1,0,0|0,0,2]=4 12582 B17R1.17889 C=CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011713584 [0,1,0,1,0,0|0,0,2]=4 12583 B17R1.17889 CC/C=C\CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100103147603 [0,1,0,1,0,0|0,0,2]=4 12584 B17R1.17889 CCC#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009813939 [0,1,0,1,0,0|0,0,2]=4 12585 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [0,1,0,1,0,0|0,0,0]=2 12586 B17R1.17889 CCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210147 [0,1,0,1,0,0|1,0,0]=3 12587 B17R1.17889 CCSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000757381 [0,1,0,1,0,0|1,0,0]=3 12588 B17R1.17889 COCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000740836 [0,1,0,1,0,0|1,0,0]=3 12589 B17R1.17889 N#CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000687738 [0,1,0,1,0,0|1,0,1]=4 12590 B17R1.17889 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCF 269956a_200049070474_100000729493 [0,1,0,1,0,0|1,0,0]=3 12591 B17R1.17889 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCO 269956a_200049070474_100000210776 [0,1,0,1,0,0|1,0,0]=3 12592 B17R1.17889 O=CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200011292268 [0,1,0,1,0,0|1,0,1]=4 12593 B17R1.25267 CCCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100011214924 [0,1,0,1,0,0|1,0,1]=4 12594 B17R1.25267 CCCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210670 [0,1,0,1,0,0|1,0,1]=4 12595 B17R1.25267 CCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011214924 [0,1,0,1,0,0|2,0,0]=4 12596 B17R1.29093 CCCCCCCCCCCCNCC1CO1 2230a_100000210451_100011216344 [0,1,0,1,0,0|1,0,1]=4 12597 B17R1.29093 CCCCCCCCCCCCNCC1CO1 34a_100000210451_102125554688 [0,1,0,1,0,0|1,0,1]=4 12598 B17R1.29093 CCCCCCCCCCCCOCC1CO1 34a_100000210810_102125554688 [0,1,0,1,0,0|1,0,1]=4 12599 B17R1.29093 CCCCCCCCCCCCOCC1CO1 7a_100000210810_102125554688 [0,1,0,1,0,0|1,0,1]=4 12600 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000759014 [0,1,0,1,0,0|1,0,1]=4 12601 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 7a_100000210810_100000745022 [0,1,0,1,0,0|1,0,1]=4 12602 B17R1.29093 CCCCCCCCCCCNCCC1CO1 2230a_200011215754_100000732470 [0,1,0,1,0,0|1,0,1]=4 12603 B17R1.29093 CCCCCCCCCCCNCCC1CO1 34a_200011215754_100000732470 [0,1,0,1,0,0|1,0,1]=4 12604 B17R1.29093 CCCCCCCCCCCOCCC1CO1 34a_100000210809_100000732470 [0,1,0,1,0,0|1,0,1]=4 12605 B17R1.29093 CCCCCCCCCCCOCCC1CO1 7a_100000210809_100000732470 [0,1,0,1,0,0|1,0,1]=4 12606 B17R1.29093 CCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011215454 [0,1,0,1,0,0|1,0,1]=4 12607 B17R1.29093 CCCCCCCCCCNCCCC1CO1 2230a_100000684558_100000733510 [0,1,0,1,0,0|1,0,1]=4 12608 B17R1.29093 CCCCCCCCCCNCCCC1CO1 34a_100000684558_100000733510 [0,1,0,1,0,0|1,0,1]=4 12609 B17R1.29093 CCCCCCCCCCOCCCC1CO1 34a_100000210711_100000733510 [0,1,0,1,0,0|1,0,1]=4 12610 B17R1.29093 CCCCCCCCCCOCCCC1CO1 7a_100000210711_100000733510 [0,1,0,1,0,0|1,0,1]=4 12611 B17R1.29200 C=CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011933949 [0,1,0,1,0,0|0,0,2]=4 12612 B17R1.29200 CCC#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_200000036426 [0,1,0,1,0,0|0,0,2]=4 12613 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [0,1,0,1,0,0|0,0,0]=2 12614 B17R1.29200 O=C(O)C1CCN1CCCCCCCCCO 269956a_100000021838_100009813782 [0,1,0,1,0,0|1,0,0]=3 12615 B17R1.103159 CC(=O)CCCCNCCC1CCCCCC1 34a_100011532351_100009817362 [0,1,0,1,0,0|1,0,0]=3 12616 B17R1.103159 CC(=O)CCCCOCCN1CCCCCC1 34a_100000238007_100009817362 [0,1,0,1,0,0|2,0,0]=4 12617 B17R1.103159 CC(=O)CCCCSCCN1CCCCCC1 62a_100000722644_100000735457 [0,1,0,1,0,0|2,0,0]=4 12618 B17R1.103159 CC(=O)CCCCSCCN1CCCCCC1 62a_100000735457_100000722644 [0,1,0,1,0,0|2,0,0]=4 12619 B17R1.103159 CC(=O)CCCOCCCN1CCCCCC1 34a_100102886287_100000685027 [0,1,0,1,0,0|2,0,0]=4 12620 B17R1.103159 CC(=O)CCCOCCCN1CCCCCC1 7a_100102886287_100011215641 [0,1,0,1,0,0|2,0,0]=4 12621 B17R1.103159 CC(=O)NCCCCCNC1CCCCCC1 270004a_200012022750_100000210131 [0,1,0,1,0,0|2,0,0]=4 12622 B17R1.103159 CC(=O)NCCCCCNC1CCCCCC1 34a_200012022750_100011217769 [0,1,0,1,0,0|2,0,0]=4 12623 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 2230a_200011368371_200000696569 [0,1,0,1,0,0|2,0,0]=4 12624 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 269862a_200011368371_200000763224 [0,1,0,1,0,0|2,0,0]=4 12625 B17R1.103159 CC(=O)NCCCCNCC1CCCCCC1 34a_200011368371_200000696569 [0,1,0,1,0,0|2,0,0]=4 12626 B17R1.103159 CC(=O)OCCCCCNC1CCCCCC1 2230a_100000210984_100009813381 [0,1,0,1,0,0|2,0,0]=4 12627 B17R1.103159 CC(=O)OCCCCCNC1CCCCCC1 34a_100000210984_100000033007 [0,1,0,1,0,0|2,0,0]=4 12628 B17R1.103159 CC(=O)OCCCCCOC1CCCCCC1 34a_100000210887_100000033007 [0,1,0,1,0,0|2,0,0]=4 12629 B17R1.103159 CC(=O)OCCCCCOC1CCCCCC1 7a_100000210887_100000033007 [0,1,0,1,0,0|2,0,0]=4 12630 B17R1.103159 CC(=O)OCCCCCSC1CCCCCC1 62a_100000033007_100011217769 [0,1,0,1,0,0|2,0,0]=4 12631 B17R1.103159 CC(=O)OCCCCCSC1CCCCCC1 62a_100011217769_100000033007 [0,1,0,1,0,0|2,0,0]=4 12632 B17R1.103159 CC(=O)OCCCCNCC1CCCCCC1 34a_100015204231_100000033659 [0,1,0,1,0,0|2,0,0]=4 12633 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 34a_100000073216_200000696569 [0,1,0,1,0,0|2,0,0]=4 12634 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 34a_100000699130_100000033659 [0,1,0,1,0,0|2,0,0]=4 12635 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 7a_100000073216_200000696569 [0,1,0,1,0,0|2,0,0]=4 12636 B17R1.103159 CC(=O)OCCCCOCC1CCCCCC1 7a_100000699130_100000033659 [0,1,0,1,0,0|2,0,0]=4 12637 B17R1.103159 CC(=O)OCCCCSCC1CCCCCC1 62a_100000033659_200000696569 [0,1,0,1,0,0|2,0,0]=4 12638 B17R1.103159 CC(=O)OCCCCSCC1CCCCCC1 62a_200000696569_100000033659 [0,1,0,1,0,0|2,0,0]=4 12639 B17R1.103159 CC(=O)OCCCNCCC1CCCCCC1 34a_100011532351_100000042594 [0,1,0,1,0,0|2,0,0]=4 12640 B17R1.103159 CC(=O)SCCCCNCC1CCCCCC1 2230a_100015204231_200010402107 [0,1,0,1,0,0|2,0,0]=4 12641 B17R1.103159 CC(=O)SCCCCNCC1CCCCCC1 34a_100015204231_200010402107 [0,1,0,1,0,0|2,0,0]=4 12642 B17R1.103159 CC(=O)SCCCCOCC1CCCCCC1 34a_100000699130_200010402107 [0,1,0,1,0,0|2,0,0]=4 12643 B17R1.103159 CC(=O)SCCCCOCC1CCCCCC1 7a_100000699130_200010402107 [0,1,0,1,0,0|2,0,0]=4 12644 B17R1.103159 CC(=O)SCCCCSCC1CCCCCC1 62a_200000696569_200010402107 [0,1,0,1,0,0|2,0,0]=4 12645 B17R1.103159 CC(=O)SCCCCSCC1CCCCCC1 62a_200010402107_200000696569 [0,1,0,1,0,0|2,0,0]=4 12646 B17R1.103159 CC(=O)SCCCNCCC1CCCCCC1 2230a_100011532351_100000038929 [0,1,0,1,0,0|2,0,0]=4 12647 B17R1.103159 CC(=O)SCCCNCCC1CCCCCC1 34a_100011532351_100000038929 [0,1,0,1,0,0|2,0,0]=4 12648 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 2230a_100015204231_100009817443 [0,1,0,1,0,0|1,0,0]=3 12649 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 34a_100015204231_100009817443 [0,1,0,1,0,0|1,0,0]=3 12650 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000123541_200000696569 [0,1,0,1,0,0|1,0,0]=3 12651 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000699130_100009817443 [0,1,0,1,0,0|1,0,0]=3 12652 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000123541_200000696569 [0,1,0,1,0,0|1,0,0]=3 12653 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000699130_100009817443 [0,1,0,1,0,0|1,0,0]=3 12654 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_100009817443_200000696569 [0,1,0,1,0,0|1,0,0]=3 12655 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_200000696569_100009817443 [0,1,0,1,0,0|1,0,0]=3 12656 B17R1.103159 NC(=O)CCCCOCCN1CCCCCC1 7a_100012022536_100000722644 [0,1,0,1,0,0|2,0,0]=4 12657 B17R1.103159 NC(=O)CCCOCCCN1CCCCCC1 34a_100102886287_100102525003 [0,1,0,1,0,0|2,0,0]=4 12658 B17R1.103159 NC(=O)CCCOCCCN1CCCCCC1 7a_100102886287_100102525003 [0,1,0,1,0,0|2,0,0]=4 12659 B17R1.103159 NC(=O)CCOCCCCN1CCCCCC1 34a_100011305542_100000731001 [0,1,0,1,0,0|2,0,0]=4 12660 B17R1.103159 NC(=O)COCCNCCC1CCCCCC1 2230a_100011532351_100000076697 [0,1,0,1,0,0|2,0,0]=4 12661 B17R1.103159 NC(=O)COCCNCCC1CCCCCC1 34a_100011532351_100000076697 [0,1,0,1,0,0|2,0,0]=4 12662 B17R1.103159 O=C(O)COCCNCCN1CCCCCC1 269956a_100000700818_100000722644 [0,1,0,1,0,0|2,0,0]=4 12663 B17R1.103159 O=C([O-])CCCCCOCC1CCCCCC1 7a_100102619762_200000696569 [0,1,0,1,0,0|0,0,1]=3 12664 B17R1.103159 OB(O)CCCCCCNC1CCCCCC1 2230a_100000210984_100009817187 [0,1,0,1,0,0|1,0,1]=4 12665 B17R1.103159 OB(O)CCCCCCNC1CCCCCC1 34a_100000210984_100009817187 [0,1,0,1,0,0|1,0,1]=4 12666 B17R1.103159 OB(O)CCCCCCOC1CCCCCC1 34a_100000210887_100009817187 [0,1,0,1,0,0|1,0,1]=4 12667 B17R1.103159 OB(O)CCCCCCOC1CCCCCC1 7a_100000210887_100009817187 [0,1,0,1,0,0|1,0,1]=4 12668 B17R1.103159 OB(O)CCCCCCSC1CCCCCC1 62a_100009817187_100011217769 [0,1,0,1,0,0|1,0,1]=4 12669 B17R1.103159 OB(O)CCCCCCSC1CCCCCC1 62a_100011217769_100009817187 [0,1,0,1,0,0|1,0,1]=4 12670 B17R1.103159 OB(O)CCCCCNCC1CCCCCC1 2230a_100015204231_200009817188 [0,1,0,1,0,0|1,0,1]=4 12671 B17R1.103159 OB(O)CCCCCNCC1CCCCCC1 34a_100015204231_200009817188 [0,1,0,1,0,0|1,0,1]=4 12672 B17R1.103159 OB(O)CCCCCOCC1CCCCCC1 34a_100000699130_200009817188 [0,1,0,1,0,0|1,0,1]=4 12673 B17R1.103159 OB(O)CCCCCOCC1CCCCCC1 7a_100000699130_200009817188 [0,1,0,1,0,0|1,0,1]=4 12674 B17R1.103159 OB(O)CCCCCSCC1CCCCCC1 62a_200000696569_200009817188 [0,1,0,1,0,0|1,0,1]=4 12675 B17R1.103159 OB(O)CCCCCSCC1CCCCCC1 62a_200009817188_200000696569 [0,1,0,1,0,0|1,0,1]=4 12676 B17R1.103159 OB(O)CCCCNCCC1CCCCCC1 2230a_100011532351_200009817182 [0,1,0,1,0,0|1,0,1]=4 12677 B17R1.103159 OB(O)CCCCNCCC1CCCCCC1 34a_100011532351_200009817182 [0,1,0,1,0,0|1,0,1]=4 12678 B17R1.753 CCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210670 [0,1,0,1,0,0|1,0,1]=4 12679 B17R1.753 CCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210670 [0,1,0,1,0,0|0,0,1]=3 12680 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 12681 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 12682 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 12683 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 12684 B17R1.753 O=C1CC[C@H](O1)C(=O)CCCCCCCCO 1458a_100009814974_100000033203 [0,1,0,1,0,0|1,0,1]=4 12685 B17R1.4132 CCCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210614 [0,1,0,1,0,0|1,0,0]=3 12686 B17R1.4132 CCCCOCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000743108 [0,1,0,1,0,0|2,0,0]=4 12687 B17R1.4132 O=C(O)C1CCC(CN1CCCCCCF)O 269956a_100000089875_100015922095 [0,1,0,1,0,0|2,0,0]=4 12688 B17R1.4132 O=C(O)C1CCC(CN1CCCCCCO)O 269956a_100000089875_100000766143 [0,1,0,1,0,0|2,0,0]=4 12689 B17R1.9015 CN(CCCC(=O)O)CCC1CCCCN1C 269956a_100000719178_100000211948 [0,1,0,1,0,0|2,0,0]=4 12690 B17R1.16379 CC(CCCC(=O)[O-])OCCCC1CCCC1 7a_100000761597_100011713738 [0,1,0,1,0,0|1,0,1]=4 12691 B17R1.16611 CC(=O)CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100011215641 [0,1,0,1,0,0|1,0,1]=4 12692 B17R1.16611 CC(CCCC(=O)[O-])OCCC1CCCCC1 7a_100000761597_100011273959 [0,1,0,1,0,0|1,0,1]=4 12693 B17R1.16611 CN(CCCC(=O)O)CCCC1CCCCC1 269956a_100000719178_100011713725 [0,1,0,1,0,0|1,0,0]=3 12694 B17R1.16611 CN(CCCC(=O)O)CCCN1CCCCC1 269956a_100000719178_100000007876 [0,1,0,1,0,0|2,0,0]=4 12695 B17R1.16611 CN(CCCC(=O)O)CCOC1CCCCC1 269956a_100000719178_100011211530 [0,1,0,1,0,0|2,0,0]=4 12696 B17R1.16611 NC(=O)CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100102525003 [0,1,0,1,0,0|1,0,1]=4 12697 B17R1.18504 CCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210558_100009874392 [0,1,0,1,0,0|1,0,1]=4 12698 B17R1.18504 CCCCCCCCCN(C)CC1CC(=O)C1 2230a_100000232482_100009874392 [0,1,0,1,0,0|2,0,0]=4 12699 B17R1.18504 CCCCCCCCCN(C)CC1CC(=O)C1 269982a_100000232482_100009874392 [0,1,0,1,0,0|2,0,0]=4 12700 B17R1.25278 CCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210670 [0,1,0,1,0,0|1,0,0]=3 12701 B17R1.25278 O=C(O)CC1CN(C1)CCCCCCCCO 269956a_100016993960_100000033203 [0,1,0,1,0,0|2,0,0]=4 12702 B17R1.103055 CC(CCCC(=O)[O-])OCC1CCCCCC1 7a_100000761597_200000696569 [0,1,0,1,0,0|1,0,1]=4 12703 B17R1.103055 CN(CCCC(=O)O)CCN1CCCCCC1 269956a_100000719178_100000722644 [0,1,0,1,0,0|2,0,0]=4 12704 B17R1.450 CN1CCCCC1CCNCC(O)CC(=O)O 269956a_100011218706_100000211948 [0,1,0,1,0,0|2,0,0]=4 12705 B17R1.8307 O=C(O)CC(O)CNCCCC1CCCCC1 269956a_100011218706_100011713725 [0,1,0,1,0,0|1,0,0]=3 12706 B17R1.8307 O=C(O)CC(O)CNCCCN1CCCCC1 269956a_100011218706_100000007876 [0,1,0,1,0,0|2,0,0]=4 12707 B17R1.8307 O=C(O)CC(O)CNCCOC1CCCCC1 269956a_100011218706_100011211530 [0,1,0,1,0,0|2,0,0]=4 12708 B17R1.17307 CCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210759 [0,1,0,1,0,0|1,0,0]=3 12709 B17R1.17307 COCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011998445 [0,1,0,1,0,0|2,0,0]=4 12710 B17R1.17307 O=C(O)CC1CCN(C1)CCCCCCCO 269956a_100000719201_100000760002 [0,1,0,1,0,0|2,0,0]=4 12711 B17R1.25094 CCCCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000189428 [0,1,0,1,0,0|2,0,0]=4 12712 B17R1.151293 O=C(O)CC(O)CNCCN1CCCCCC1 269956a_100011218706_100000722644 [0,1,0,1,0,0|2,0,0]=4 12713 B17R1.1890 CCCCCC(C)N1CCCCC1CC(=O)N 2230a_100015184752_200011218191 [0,1,0,1,0,0|2,0,0]=4 12714 B17R1.1890 CCCCCC(C)N1CCCCC1CC(=O)N 269982a_100015184752_200011218191 [0,1,0,1,0,0|2,0,0]=4 12715 B17R1.1890 CCCCCC(C)N1CCCCC1CC(=O)N 270004a_100015184752_100000211708 [0,1,0,1,0,0|2,0,0]=4 12716 B17R1.1890 CCCCCC(C)N1CCCCC1CC(=O)N 34a_100015184752_200011218191 [0,1,0,1,0,0|2,0,0]=4 12717 B17R1.3575 CCCCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_200011218191 [0,1,0,1,0,0|1,0,0]=3 12718 B17R1.8968 CCCCCC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200012276598 [0,1,0,1,0,0|1,0,1]=4 12719 B17R1.8968 CCCCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011218191 [0,1,0,1,0,0|1,0,0]=3 12720 B17R1.14421 CC1CCCC(C1OCCCCCC(=O)N)C 34a_100011218088_100009817443 [0,1,0,1,0,0|2,0,0]=4 12721 B17R1.14421 CC1CCCC(C1OCCCCCC(=O)N)C 7a_100011218088_100009817443 [0,1,0,1,0,0|2,0,0]=4 12722 B17R1.102249 CC(=O)CCCCNCCC1(CCCCC1)O 34a_100102740465_100009817362 [0,1,0,1,0,0|2,0,0]=4 12723 B17R1.102249 CC1(CCCCC1)CNCCCCCC(=O)N 2230a_100000706052_100009817443 [0,1,0,1,0,0|2,0,0]=4 12724 B17R1.102249 CC1(CCCCC1)CNCCCCCC(=O)N 34a_100000706052_100009817443 [0,1,0,1,0,0|2,0,0]=4 12725 B17R1.102249 CC1(CCCCC1)COCCCCCC(=O)N 34a_100000688186_100009817443 [0,1,0,1,0,0|2,0,0]=4 12726 B17R1.102249 CC1(CCCCC1)COCCCCCC(=O)N 7a_100000688186_100009817443 [0,1,0,1,0,0|2,0,0]=4 12727 B17R1.102249 NC(=O)CCCCCNCC1(CCCCC1)O 2230a_100000748649_100009817443 [0,1,0,1,0,0|2,0,0]=4 12728 B17R1.102249 NC(=O)CCCCCNCC1(CCCCC1)O 34a_100000748649_100009817443 [0,1,0,1,0,0|2,0,0]=4 12729 B17R1.102249 NC(=O)CCCCCOCC1(CCCCC1)F 34a_100000090305_100009817443 [0,1,0,1,0,0|2,0,0]=4 12730 B17R1.102249 NC(=O)CCCCCOCC1(CCCCC1)F 7a_100000090305_100009817443 [0,1,0,1,0,0|2,0,0]=4 12731 B17R1.102249 NC(=O)CCCCCOCC1(CCCCC1)N 34a_100000740034_100009817443 [0,1,0,1,0,0|2,0,0]=4 12732 B17R1.40 CCCCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210759 [0,1,0,1,0,0|1,0,1]=4 12733 B17R1.1291 CCCCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210759 [0,1,0,1,0,0|1,0,1]=4 12734 B17R1.1291 CCCCCCCCC(=O)CC1CNC(=O)O1 1458a_100000210188_100000181169 [0,1,0,1,0,0|1,0,1]=4 12735 B17R1.1291 CCCCCCCCC(=O)CC1COC(=O)O1 1458a_100000210188_100000073702 [0,1,0,1,0,0|1,0,1]=4 12736 B17R1.1291 CCCCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210188_100015189358 [0,1,0,1,0,0|1,0,1]=4 12737 B17R1.1291 CCCCCCCCC(C)OC1COC(=O)O1 34a_100000210740_100000032252 [0,1,0,1,0,0|2,0,0]=4 12738 B17R1.1291 CCCCCCCCN(C)CC1CNC(=O)O1 2230a_100000207567_100000181169 [0,1,0,1,0,0|2,0,0]=4 12739 B17R1.1291 CCCCCCCCN(C)CC1CNC(=O)O1 269982a_100000207567_100000181169 [0,1,0,1,0,0|2,0,0]=4 12740 B17R1.1291 CCCCCCCCN(C)CC1COC(=O)O1 269982a_100000207567_100000073702 [0,1,0,1,0,0|2,0,0]=4 12741 B17R1.1291 CCCCCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000207567_100015189358 [0,1,0,1,0,0|2,0,0]=4 12742 B17R1.1291 CCCCCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000207567_100015189358 [0,1,0,1,0,0|2,0,0]=4 12743 B17R1.1324 CC(=O)CCCCC(=O)CCC1CCCCC1 1458a_100000211375_100000735457 [0,1,0,1,0,0|1,0,1]=4 12744 B17R1.16295 CC(=O)CCCCN(C)CCCC1CCCC1 269982a_100015186261_100000735457 [0,1,0,1,0,0|2,0,0]=4 12745 B17R1.16295 CC(=O)CCCCN(C)CCCC1CCCC1 34a_100015186261_100009817362 [0,1,0,1,0,0|2,0,0]=4 12746 B17R1.25058 CC1CCCC(N1CCCCCCF)C(=O)O 269956a_100000704260_100015922095 [0,1,0,1,0,0|2,0,0]=4 12747 B17R1.25058 CC1CCCC(N1CCCCCCO)C(=O)O 269956a_100000704260_100000766143 [0,1,0,1,0,0|2,0,0]=4 12748 B17R1.25058 CCCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210614 [0,1,0,1,0,0|1,0,0]=3 12749 B17R1.25058 CCCCOCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000743108 [0,1,0,1,0,0|2,0,0]=4 12750 B17R1.25870 CCCCCCCCC(C)OCC1CC(=O)C1 7a_100000210740_100009874392 [0,1,0,1,0,0|2,0,0]=4 12751 B17R1.103001 CC(=O)CCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000735457 [0,1,0,1,0,0|1,0,1]=4 12752 B17R1.1457 CCCCCCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210614 [0,1,0,1,0,0|2,0,0]=4 12753 B17R1.1457 CCCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210614 [0,1,0,1,0,0|1,0,0]=3 12754 B17R1.1457 CCCCOCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000743108 [0,1,0,1,0,0|2,0,0]=4 12755 B17R1.1457 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCCF 269956a_100009817619_100015922095 [0,1,0,1,0,0|2,0,0]=4 12756 B17R1.1457 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCCO 269956a_100009817619_100000766143 [0,1,0,1,0,0|2,0,0]=4 12757 B17R1.1505 CCCCCC1CCCC1N(C)CCC(=O)N 270004a_100000730477_200000198059 [0,1,0,1,0,0|2,0,0]=4 12758 B17R1.7896 CCCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210759 [0,1,0,1,0,0|2,0,0]=4 12759 B17R1.7896 CCCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210759 [0,1,0,1,0,0|2,0,0]=4 12760 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210759 [0,1,0,1,0,0|2,0,0]=4 12761 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210759 [0,1,0,1,0,0|2,0,0]=4 12762 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210759 [0,1,0,1,0,0|2,0,0]=4 12763 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210759 [0,1,0,1,0,0|1,0,0]=3 12764 B17R1.7896 CCCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210759 [0,1,0,1,0,0|1,0,0]=3 12765 B17R1.7896 COCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011998445 [0,1,0,1,0,0|2,0,0]=4 12766 B17R1.7896 COCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011998445 [0,1,0,1,0,0|2,0,0]=4 12767 B17R1.7896 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCCO)F 269956a_100016993324_100000760002 [0,1,0,1,0,0|2,0,0]=4 12768 B17R1.7896 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCCO)O 269956a_100000750407_100000760002 [0,1,0,1,0,0|2,0,0]=4 12769 B17R1.26148 CCCCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210319 [0,1,0,1,0,0|1,0,1]=4 12770 B17R1.26148 CCCCCCCCCCN(C)C1CC(=O)C1 269982a_100000207566_100009894365 [0,1,0,1,0,0|2,0,0]=4 12771 B17R1.16140 CC(=O)CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215641 [0,1,0,1,0,0|1,0,1]=4 12772 B17R1.16140 CC(C)CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011214892 [0,1,0,1,0,0|1,0,0]=3 12773 B17R1.16140 CC(C)OCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000211751 [0,1,0,1,0,0|2,0,0]=4 12774 B17R1.16140 CC(C)SCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000730970 [0,1,0,1,0,0|2,0,0]=4 12775 B17R1.16140 CC(O)CCCN1CCCCC1CCC(=O)O 269956a_100000694054_200000718107 [0,1,0,1,0,0|1,0,0]=3 12776 B17R1.16140 CN(C)CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757444 [0,1,0,1,0,0|2,0,0]=4 12777 B17R1.16201 CC(=O)CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000735457 [0,1,0,1,0,0|1,0,1]=4 12778 B17R1.16201 CC(=O)CCCCN1CCCCCC1C(C)C 269982a_100000697956_100000735457 [0,1,0,1,0,0|2,0,0]=4 12779 B17R1.16201 CC(=O)CCCCN1CCCCCC1C(C)C 34a_100000697956_100009817362 [0,1,0,1,0,0|2,0,0]=4 12780 B17R1.16201 CC(C)CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011216152 [0,1,0,1,0,0|1,0,0]=3 12781 B17R1.16201 CN(C)CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000690147 [0,1,0,1,0,0|2,0,0]=4 12782 B17R1.16277 CC(C)CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100011216152 [0,1,0,1,0,0|2,0,0]=4 12783 B17R1.16277 CC(C)CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100011216152 [0,1,0,1,0,0|2,0,0]=4 12784 B17R1.16277 CC(C)CCCCN1CCCCC1CC(=O)N 34a_100015184752_100011216152 [0,1,0,1,0,0|2,0,0]=4 12785 B17R1.16398 CC(=O)CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000735457 [0,1,0,1,0,0|1,0,1]=4 12786 B17R1.16398 CC(=O)CCCCOC1CCCCC1C(C)C 34a_100011709184_100009817362 [0,1,0,1,0,0|2,0,0]=4 12787 B17R1.16398 CC(=O)CCCCOC1CCCCC1C(C)C 7a_100011709184_100000735457 [0,1,0,1,0,0|2,0,0]=4 12788 B17R1.16398 CC(C)C1CCCCN1CCCCCC(=O)N 2230a_100000757267_100009817443 [0,1,0,1,0,0|2,0,0]=4 12789 B17R1.16398 CC(C)C1CCCCN1CCCCCC(=O)N 269982a_100000757267_100009817443 [0,1,0,1,0,0|2,0,0]=4 12790 B17R1.16398 CC(C)C1CCCCN1CCCCCC(=O)N 34a_100000757267_100009817443 [0,1,0,1,0,0|2,0,0]=4 12791 B17R1.16398 CC(C)CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210682 [0,1,0,1,0,0|2,0,0]=4 12792 B17R1.16398 CC(C)CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210682 [0,1,0,1,0,0|2,0,0]=4 12793 B17R1.16398 CC(C)CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210682 [0,1,0,1,0,0|2,0,0]=4 12794 B17R1.16398 CC(C)CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210682 [0,1,0,1,0,0|1,0,0]=3 12795 B17R1.16398 CC(C)CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210682 [0,1,0,1,0,0|2,0,0]=4 12796 B17R1.16398 CC(C)CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210682 [0,1,0,1,0,0|2,0,0]=4 12797 B17R1.16398 CC(C)CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210682 [0,1,0,1,0,0|2,0,0]=4 12798 B17R1.16398 CC(C)CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011216152 [0,1,0,1,0,0|1,0,0]=3 12799 B17R1.16398 CN(C)CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000690147 [0,1,0,1,0,0|2,0,0]=4 12800 B17R1.16400 CC(C)CC1CCCN1CCCCCC(=O)N 2230a_100000748429_100009817443 [0,1,0,1,0,0|2,0,0]=4 12801 B17R1.16400 CC(C)CC1CCCN1CCCCCC(=O)N 269982a_100000748429_100009817443 [0,1,0,1,0,0|2,0,0]=4 12802 B17R1.16400 CC(C)CC1CCCN1CCCCCC(=O)N 34a_100000748429_100009817443 [0,1,0,1,0,0|2,0,0]=4 12803 B17R1.16459 CC(=O)CCCN1CCCCCC1CC(C)C 269982a_100000759364_100011215641 [0,1,0,1,0,0|2,0,0]=4 12804 B17R1.16459 CC(=O)CCCN1CCCCCC1CC(C)C 34a_100000759364_100000685027 [0,1,0,1,0,0|2,0,0]=4 12805 B17R1.16459 CC(C)CC1CCCCCN1CCCC(=O)N 269982a_100000759364_100102525003 [0,1,0,1,0,0|2,0,0]=4 12806 B17R1.16459 CC(C)CC1CCCCCN1CCCC(=O)N 34a_100000759364_100102525003 [0,1,0,1,0,0|2,0,0]=4 12807 B17R1.16461 C=C(C)CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000730704 [0,1,0,1,0,0|1,0,1]=4 12808 B17R1.16461 CC(=O)CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000053229 [0,1,0,1,0,0|1,0,1]=4 12809 B17R1.16461 CC(C)CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210312 [0,1,0,1,0,0|1,0,0]=3 12810 B17R1.16461 CC(C)OCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000709892 [0,1,0,1,0,0|2,0,0]=4 12811 B17R1.16461 CC(O)CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100012276601 [0,1,0,1,0,0|1,0,0]=3 12812 B17R1.16461 CN(C)CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000755713 [0,1,0,1,0,0|2,0,0]=4 12813 B17R2.3366 O=C1CCCC(C1)OCCCC2CCCC2 34a_100012613340_100011713738 [0,0,0,2,0,0|2,0,0]=4 12814 B17R2.3366 O=C1CCCC(N1)COCCC2CCCC2 34a_200000102386_100000760354 [0,0,0,2,0,0|2,0,0]=4 12815 B17R2.5301 O=C1CCCC(C1)OCCC2CCCCC2 34a_100012613340_100011209188 [0,0,0,2,0,0|2,0,0]=4 12816 B17R2.5301 O=C1CCCC(N1)COCC2CCCCC2 34a_200000102386_100000211423 [0,0,0,2,0,0|2,0,0]=4 12817 B17R2.19530 O=C1CCCC(C1)OCC2CCCCCC2 34a_100012613340_200000696569 [0,0,0,2,0,0|2,0,0]=4 12818 B17R2.19530 O=C1CCCC(N1)COC2CCCCCC2 34a_200000102386_100011217769 [0,0,0,2,0,0|2,0,0]=4 12819 B17R2.1057 CCC1CCCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000757040 [0,0,0,2,0,0|2,0,0]=4 12820 B17R2.1057 CCC1CCCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100000757040 [0,0,0,2,0,0|2,0,0]=4 12821 B17R2.1057 CCC1CCCCC1OCC2CNC(=O)O2 34a_100000210738_100000181169 [0,0,0,2,0,0|2,0,0]=4 12822 B17R2.1057 CCC1CCCCC1OCC2CNC(=O)O2 7a_100000210738_100000181169 [0,0,0,2,0,0|2,0,0]=4 12823 B17R2.1057 CCC1CCCCC1OCC2COC(=O)O2 34a_100000210738_100000073702 [0,0,0,2,0,0|2,0,0]=4 12824 B17R2.1057 CCC1CCCCC1OC[C@@H]2CCC(=O)N2 7a_100000210738_100015189358 [0,0,0,2,0,0|2,0,0]=4 12825 B17R2.5669 CC(=O)CCCN1CCC2CCCCC2C1 269982a_100000211783_100011215641 [0,0,0,2,0,0|2,0,0]=4 12826 B17R2.5669 CC(=O)CCCN1CCC2CCCCC2C1 34a_100000211783_100000685027 [0,0,0,2,0,0|2,0,0]=4 12827 B17R2.5669 CC(=O)CCOC1CCC2CCCCC2C1 7a_100000211317_100000053229 [0,0,0,2,0,0|2,0,0]=4 12828 B17R2.5669 NC(=O)CCCN1CCC2CCCCC2C1 269982a_100000211783_100102525003 [0,0,0,2,0,0|2,0,0]=4 12829 B17R2.5669 NC(=O)CCCN1CCC2CCCCC2C1 34a_100000211783_100102525003 [0,0,0,2,0,0|2,0,0]=4 12830 B17R2.5669 NC(=O)CCOC1CCC2CCCCC2C1 34a_100000211317_100000731001 [0,0,0,2,0,0|2,0,0]=4 12831 B17R2.5669 NC(=O)CCOC1CCC2CCCCC2C1 7a_100000211317_100000744528 [0,0,0,2,0,0|2,0,0]=4 12832 B17R2.8834 CCC1CCCCC1N2CCC[C@H]2C(=O)N 270004a_100000003125_100000757040 [0,0,0,2,0,0|2,0,0]=4 12833 B17R2.44894 NC(=O)CCCCCN1CC2CCC1CC2 2230a_100000750499_100009817443 [0,0,0,2,0,0|2,0,0]=4 12834 B17R2.44894 NC(=O)CCCCCN1CC2CCC1CC2 269982a_100000750499_100009817443 [0,0,0,2,0,0|2,0,0]=4 12835 B17R2.44894 NC(=O)CCCCCN1CC2CCC1CC2 34a_100000750499_100009817443 [0,0,0,2,0,0|2,0,0]=4 12836 B17R2.5217 O=C1CC(C1)CNCCCC2CCCCC2 2230a_100011211642_100009874392 [0,0,0,2,0,0|2,0,0]=4 12837 B17R2.5217 O=C1CC(C1)COCCCC2CCCCC2 34a_100000101936_100011713725 [0,0,0,2,0,0|2,0,0]=4 12838 B17R2.5217 O=C1CC(C1)COCCCC2CCCCC2 7a_100000198086_100009874392 [0,0,0,2,0,0|2,0,0]=4 12839 B17R2.5217 O=C1CC(C1)CSCCCC2CCCCC2 62a_100009874392_100011713725 [0,0,0,2,0,0|2,0,0]=4 12840 B17R2.5217 O=C1CC(C1)CSCCCC2CCCCC2 62a_100011713725_100009874392 [0,0,0,2,0,0|2,0,0]=4 12841 B17R2.29495 CCCC1CCCCC1OCC2CC(=O)C2 7a_100011217265_100009874392 [0,0,0,2,0,0|2,0,0]=4 12842 B17R2.41450 O=C1CC(C1)COCC2CCCCCCC2 7a_100011216312_100009874392 [0,0,0,2,0,0|2,0,0]=4 12843 B17R2.271875 O=C1CC(C1)CNCCC2CCCCCC2 2230a_100011532351_100009874392 [0,0,0,2,0,0|2,0,0]=4 12844 B17R2.248 CC(=O)NC1CCCCC1C2CCCCC2 11a_200011339469_100015343762 [0,0,0,2,0,0|2,0,0]=4 12845 B17R2.248 CC(=O)NC1CCCCC1C2CCCCC2 1626a_200011339469_100015343762 [0,0,0,2,0,0|2,0,0]=4 12846 B17R2.248 CC(=O)NC1CCCCC1C2CCCCC2 240690a_200011339469_100015343762 [0,0,0,2,0,0|2,0,0]=4 12847 B17R2.248 CC(=O)NC1CCCCC1C2CCCCC2 527a_200011339469_100103153847 [0,0,0,2,0,0|2,0,0]=4 12848 B17R2.248 NC(=O)CC1CCCCN1C2CCCCC2 269982a_100015184752_100000210327 [0,0,0,2,0,0|2,0,0]=4 12849 B17R2.248 NC(=O)CC1CCCCN1C2CCCCC2 270004a_100015184752_100000210434 [0,0,0,2,0,0|2,0,0]=4 12850 B17R2.248 NC(=O)CC1CCCCN1C2CCCCC2 34a_100015184752_100000210327 [0,0,0,2,0,0|2,0,0]=4 12851 B17R2.248 NC(=O)CN1CCCCC1C2CCCCC2 2230a_100011219272_100000747473 [0,0,0,2,0,0|2,0,0]=4 12852 B17R2.248 NC(=O)CN1CCCCC1C2CCCCC2 269982a_100011219272_100000187820 [0,0,0,2,0,0|2,0,0]=4 12853 B17R2.248 NC(=O)CN1CCCCC1C2CCCCC2 34a_100011219272_100000187820 [0,0,0,2,0,0|2,0,0]=4 12854 B17R2.248 O=C([O-])CN1CCCCC1C2CCCCC2 269982a_100011219272_100020667443 [0,0,0,2,0,0|1,0,1]=4 12855 B17R2.248 O=C([O-])CN1CCCCC1C2CCCCC2 34a_100011219272_100020667443 [0,0,0,2,0,0|1,0,1]=4 12856 B17R2.855 NC(=O)CC1CCCCN1CC2CCCC2 2230a_100015184752_100000740388 [0,0,0,2,0,0|2,0,0]=4 12857 B17R2.855 NC(=O)CC1CCCCN1CC2CCCC2 269982a_100015184752_100000740388 [0,0,0,2,0,0|2,0,0]=4 12858 B17R2.855 NC(=O)CC1CCCCN1CC2CCCC2 34a_100015184752_100000740388 [0,0,0,2,0,0|2,0,0]=4 12859 B17R2.3547 CC(=O)CCN1CCCC1C2CCCCC2 269982a_100011206067_100000053229 [0,0,0,2,0,0|2,0,0]=4 12860 B17R2.3547 NC(=O)CCN1CCCC1C2CCCCC2 2230a_100011206067_100000744528 [0,0,0,2,0,0|2,0,0]=4 12861 B17R2.3547 NC(=O)CCN1CCCC1C2CCCCC2 269982a_100011206067_100000744528 [0,0,0,2,0,0|2,0,0]=4 12862 B17R2.3547 NC(=O)CCN1CCCC1C2CCCCC2 34a_100011206067_100000731001 [0,0,0,2,0,0|2,0,0]=4 12863 B17R2.9303 CCCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210326 [0,0,0,2,0,0|1,0,0]=3 12864 B17R2.9303 CCOCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210147 [0,0,0,2,0,0|2,0,0]=4 12865 B17R2.9303 CCSCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000757381 [0,0,0,2,0,0|2,0,0]=4 12866 B17R2.9303 COCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000740836 [0,0,0,2,0,0|2,0,0]=4 12867 B17R2.9303 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCF 269956a_100015758391_100000729493 [0,0,0,2,0,0|2,0,0]=4 12868 B17R2.9303 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCCO 269956a_100015758391_100000210776 [0,0,0,2,0,0|2,0,0]=4 12869 B17R2.3445 CC1CCCCC1N2CCCCC2C(=O)N 270004a_100000181395_100000210921 [0,0,0,2,0,0|2,0,0]=4 12870 B17R2.3445 O=C(O)[C@H]1CCCCN1C2CCCCC2F 269956a_100000763471_100015423560 [0,0,0,2,0,0|2,0,0]=4 12871 B17R2.3445 O=C(O)[C@H]1CCCCN1C2CCCCC2O 269956a_100000763471_100000038908 [0,0,0,2,0,0|2,0,0]=4 12872 B17R2.5111 CN1CCCCC1CN2CCC[C@H]2C(=O)O 269956a_100000743916_100015185383 [0,0,0,2,0,0|2,0,0]=4 12873 B17R2.5632 CC(=O)CCCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000735457 [0,0,0,2,0,0|2,0,0]=4 12874 B17R2.5632 CC(=O)CCCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100009817362 [0,0,0,2,0,0|2,0,0]=4 12875 B17R2.20638 CN1CCCCC1CCN2CCC2C(=O)O 269956a_100000021838_100000211948 [0,0,0,2,0,0|2,0,0]=4 12876 B17R2.288373 CC(=O)CCCCOCC1CC2CCC1C2 34a_100000229996_100009817362 [0,0,0,2,0,0|2,0,0]=4 12877 B17R2.288373 NC(=O)CCCCCNC1CC2CCC1C2 2230a_100000758229_100009817443 [0,0,0,2,0,0|2,0,0]=4 12878 B17R2.288373 NC(=O)CCCCCNC1CC2CCC1C2 34a_100000758229_100009817443 [0,0,0,2,0,0|2,0,0]=4 12879 B17R2.288373 NC(=O)CCCCCOC1CC2CCC1C2 34a_100000123541_100000727232 [0,0,0,2,0,0|2,0,0]=4 12880 B17R2.288373 NC(=O)CCCCCOC1CC2CCC1C2 34a_100000211339_100009817443 [0,0,0,2,0,0|2,0,0]=4 12881 B17R2.288373 NC(=O)CCCCCSC1CC2CCC1C2 62a_100000727232_100009817443 [0,0,0,2,0,0|2,0,0]=4 12882 B17R2.288373 NC(=O)CCCCCSC1CC2CCC1C2 62a_100009817443_100000727232 [0,0,0,2,0,0|2,0,0]=4 12883 B17R2.288373 NC(=O)CCCCNCC1CC2CCC1C2 269862a_100000696515_100000697602 [0,0,0,2,0,0|2,0,0]=4 12884 B17R2.288373 NC(=O)CCCCNCC1CC2CCC1C2 270004a_100000696515_100000697602 [0,0,0,2,0,0|2,0,0]=4 12885 B17R2.3894 O=C(O)[C@@H]1CCCC[C@H]1N[C@@H]2CCC[C@H]2O 269956a_100009816435_200016002552 [0,0,0,2,0,0|2,0,0]=4 12886 B17R2.21304 NC(=O)CCCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100009817443 [0,0,0,2,0,0|2,0,0]=4 12887 B17R2.21304 NC(=O)CCCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100009817443 [0,0,0,2,0,0|2,0,0]=4 12888 B17R2.21304 NC(=O)CCCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100009817443 [0,0,0,2,0,0|2,0,0]=4 12889 B17R2.23919 CN1CCCC1CCN2CCC[C@H]2C(=O)O 269956a_100000743916_100000005710 [0,0,0,2,0,0|2,0,0]=4 12890 B17R2.44830 CC(=O)CCCOC1CCC2CCCC2C1 34a_100000073670_100000685027 [0,0,0,2,0,0|2,0,0]=4 12891 B17R2.44830 CC(=O)CCCOC1CCC2CCCC2C1 7a_100000073670_100011215641 [0,0,0,2,0,0|2,0,0]=4 12892 B17R2.44830 NC(=O)CCCOC1CCC2CCCC2C1 34a_100000073670_100102525003 [0,0,0,2,0,0|2,0,0]=4 12893 B17R2.44830 NC(=O)CCCOC1CCC2CCCC2C1 7a_100000073670_100102525003 [0,0,0,2,0,0|2,0,0]=4 12894 B17R2.174634 O=C(O)C1CCCCCN1[C@@H]2CCC[C@H]2O 269956a_100000758484_200016002552 [0,0,0,2,0,0|2,0,0]=4 12895 B17R2.3230 O=C1CCC(C1)OCCCC2CCCCC2 34a_100012614533_100011713725 [0,0,0,2,0,0|2,0,0]=4 12896 B17R2.3230 O=C1CCC(N1)COCCC2CCCCC2 34a_100000737831_100011209188 [0,0,0,2,0,0|2,0,0]=4 12897 B17R2.3230 O=C1CC[C@@H](N1)CNCCC2CCCCC2 2230a_100015423886_100012355289 [0,0,0,2,0,0|2,0,0]=4 12898 B17R2.3230 O=C1CC[C@@H](N1)CNCCC2CCCCC2 270004a_100015423886_100011713444 [0,0,0,2,0,0|2,0,0]=4 12899 B17R2.3230 O=C1CC[C@@H](N1)CNCCC2CCCCC2 34a_100015423886_100011209188 [0,0,0,2,0,0|2,0,0]=4 12900 B17R2.3230 O=C1CC[C@H](N1)CNCCC2CCCCC2 2230a_100000738074_100015189358 [0,0,0,2,0,0|2,0,0]=4 12901 B17R2.3230 O=C1CC[C@H](N1)COCCC2CCCCC2 7a_100011217863_100015189358 [0,0,0,2,0,0|2,0,0]=4 12902 B17R2.3230 O=C1CC[C@H](N1)CSCCC2CCCCC2 62a_100012355289_100015189358 [0,0,0,2,0,0|2,0,0]=4 12903 B17R2.3230 O=C1CC[C@H](N1)CSCCC2CCCCC2 62a_100015189358_100012355289 [0,0,0,2,0,0|2,0,0]=4 12904 B17R2.3230 O=C1NCC(O1)CNCCC2CCCCC2 2230a_100000738074_100000181169 [0,0,0,2,0,0|2,0,0]=4 12905 B17R2.3230 O=C1NCC(O1)CNCCC2CCCCC2 34a_100000738074_100000181169 [0,0,0,2,0,0|2,0,0]=4 12906 B17R2.3230 O=C1NCC(O1)COCCC2CCCCC2 34a_100011217863_100000181169 [0,0,0,2,0,0|2,0,0]=4 12907 B17R2.3230 O=C1NCC(O1)COCCC2CCCCC2 34a_100011315639_100011209188 [0,0,0,2,0,0|2,0,0]=4 12908 B17R2.3230 O=C1NCC(O1)COCCC2CCCCC2 7a_100011217863_100000181169 [0,0,0,2,0,0|2,0,0]=4 12909 B17R2.3230 O=C1NCC(O1)CSCCC2CCCCC2 62a_100000181169_100012355289 [0,0,0,2,0,0|2,0,0]=4 12910 B17R2.3230 O=C1NCC(O1)CSCCC2CCCCC2 62a_100012355289_100000181169 [0,0,0,2,0,0|2,0,0]=4 12911 B17R2.3230 O=C1OCC(O1)CNCCC2CCCCC2 34a_100000738074_100000073702 [0,0,0,2,0,0|2,0,0]=4 12912 B17R2.3230 O=C1OCC(O1)COCCC2CCCCC2 34a_100011217863_100000073702 [0,0,0,2,0,0|2,0,0]=4 12913 B17R2.3230 O=C1OCC(O1)CSCCC2CCCCC2 62a_100000073702_100012355289 [0,0,0,2,0,0|2,0,0]=4 12914 B17R2.3230 O=C1OCC(O1)CSCCC2CCCCC2 62a_100012355289_100000073702 [0,0,0,2,0,0|2,0,0]=4 12915 B17R2.3230 O=C1OCC(O1)NCCCC2CCCCC2 34a_100011211642_100000032252 [0,0,0,2,0,0|2,0,0]=4 12916 B17R2.3230 O=C1OCC(O1)OCCCC2CCCCC2 34a_100000198086_100000032252 [0,0,0,2,0,0|2,0,0]=4 12917 B17R2.3230 O=C1OCC(O1)SCCCC2CCCCC2 62a_100011713725_100000032252 [0,0,0,2,0,0|2,0,0]=4 12918 B17R2.5618 NC(=O)C1CCCCN1CC2CCCCC2 2230a_100000181395_100000211423 [0,0,0,2,0,0|2,0,0]=4 12919 B17R2.5618 NC(=O)C1CCCCN1CC2CCCCC2 269982a_100000181395_100000211423 [0,0,0,2,0,0|2,0,0]=4 12920 B17R2.5618 NC(=O)C1CCCCN1CC2CCCCC2 34a_100000181395_100000211423 [0,0,0,2,0,0|2,0,0]=4 12921 B17R2.5618 O=C(O)C1CCSCN1CC2CCCCC2 269956a_100015185162_100000211423 [0,0,0,2,0,0|2,0,0]=4 12922 B17R2.5618 O=C(O)C1CSCCN1CC2CCCCC2 269956a_100011346106_100000211423 [0,0,0,2,0,0|2,0,0]=4 12923 B17R2.5618 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCCC2 269956a_100009816435_100000210327 [0,0,0,2,0,0|1,0,0]=3 12924 B17R2.5618 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCOC2 269956a_100009816435_100000693364 [0,0,0,2,0,0|2,0,0]=4 12925 B17R2.5618 O=C(O)[C@@H]1CCCC[C@H]1NC2CCOCC2 269956a_100009816435_100011324220 [0,0,0,2,0,0|2,0,0]=4 12926 B17R2.5618 O=C(O)[C@@H]1CCCC[C@H]1NC2CCSCC2 269956a_100009816435_100000069128 [0,0,0,2,0,0|2,0,0]=4 12927 B17R2.5618 O=C(O)[C@H]1CCCCN1CC2CCCCC2 269956a_100000763471_100000211423 [0,0,0,2,0,0|1,0,0]=3 12928 B17R2.5618 O=C(O)[C@H]1CCCCN1CC2CCCCO2 269956a_100000763471_100000211543 [0,0,0,2,0,0|2,0,0]=4 12929 B17R2.5618 O=C(O)[C@H]1CCCCN1CC2CCCOC2 269956a_100000763471_100000741521 [0,0,0,2,0,0|2,0,0]=4 12930 B17R2.5618 O=C(O)[C@H]1CCCCN1CC2CCOCC2 269956a_100000763471_100000754603 [0,0,0,2,0,0|2,0,0]=4 12931 B17R2.5618 O=C(O)[C@H]1COCCN1CC2CCCCC2 269956a_100016993156_100000211423 [0,0,0,2,0,0|2,0,0]=4 12932 B17R2.5655 CC(=O)CCCNCC1CC12CCCCC2 34a_100015185624_100000685027 [0,0,0,2,0,0|2,0,0]=4 12933 B17R2.5655 NC(=O)CCCNCC1CC12CCCCC2 34a_100015185624_100102525003 [0,0,0,2,0,0|2,0,0]=4 12934 B17R2.5663 O=C(O)C1CCN1CCCC2CCCCC2 269956a_100000021838_100011713725 [0,0,0,2,0,0|1,0,0]=3 12935 B17R2.5663 O=C(O)C1CCN1CCCN2CCCCC2 269956a_100000021838_100000007876 [0,0,0,2,0,0|2,0,0]=4 12936 B17R2.5663 O=C(O)C1CCN1CCOC2CCCCC2 269956a_100000021838_100011211530 [0,0,0,2,0,0|2,0,0]=4 12937 B17R2.5673 O=C(O)C1CCCCCN1C2CCCCC2 269956a_100000758484_100000210327 [0,0,0,2,0,0|1,0,0]=3 12938 B17R2.5673 O=C(O)C1CCCCCN1C2CCCOC2 269956a_100000758484_100000693364 [0,0,0,2,0,0|2,0,0]=4 12939 B17R2.5673 O=C(O)C1CCCCCN1C2CCOCC2 269956a_100000758484_100011324220 [0,0,0,2,0,0|2,0,0]=4 12940 B17R2.5673 O=C(O)C1CCCCCN1C2CCSCC2 269956a_100000758484_100000069128 [0,0,0,2,0,0|2,0,0]=4 12941 B17R2.5674 NC(=O)[C@@H]1CCCN1CCC2CCCCC2 2230a_100000003125_100012355289 [0,0,0,2,0,0|2,0,0]=4 12942 B17R2.5674 NC(=O)[C@@H]1CCCN1CCC2CCCCC2 270004a_100000003125_100011713444 [0,0,0,2,0,0|2,0,0]=4 12943 B17R2.5674 O=C(O)C1SCCN1CCC2CCCCC2 269956a_100000035718_100011273959 [0,0,0,2,0,0|2,0,0]=4 12944 B17R2.5674 O=C(O)[C@@H]1CCCN1CCC2CCCCC2 269956a_100000743916_100011273959 [0,0,0,2,0,0|1,0,0]=3 12945 B17R2.5674 O=C(O)[C@@H]1CCCN1CCC2CCOCC2 269956a_100000743916_100011934994 [0,0,0,2,0,0|2,0,0]=4 12946 B17R2.5674 O=C(O)[C@@H]1CCCN1CCN2CCCCC2 269956a_100000743916_100000739454 [0,0,0,2,0,0|2,0,0]=4 12947 B17R2.5674 O=C(O)[C@@H]1CCCN1COC2CCCCC2 269956a_100000743916_100011935260 [0,0,0,2,0,0|2,0,0]=4 12948 B17R2.5674 O=C(O)[C@@H]1CSCN1CCC2CCCCC2 269956a_100000743924_100011273959 [0,0,0,2,0,0|2,0,0]=4 12949 B17R2.60472 NC(=O)CCCCCOC1C2CCC1CC2 34a_100000123541_100009813300 [0,0,0,2,0,0|2,0,0]=4 12950 B17R2.60472 NC(=O)CCCCCSC1C2CCC1CC2 62a_100009813300_100009817443 [0,0,0,2,0,0|2,0,0]=4 12951 B17R2.60472 NC(=O)CCCCCSC1C2CCC1CC2 62a_100009817443_100009813300 [0,0,0,2,0,0|2,0,0]=4 12952 B17R2.291558 CC(=O)CCCN1CCCC2C1CCCC2 269982a_100000211887_100011215641 [0,0,0,2,0,0|2,0,0]=4 12953 B17R2.291558 CC(=O)CCCN1CCCC2C1CCCC2 34a_100000211887_100000685027 [0,0,0,2,0,0|2,0,0]=4 12954 B17R2.291558 CC(=O)CCOC1CCCC2C1CCCC2 7a_100000042559_100000053229 [0,0,0,2,0,0|2,0,0]=4 12955 B17R2.291558 NC(=O)CCCN1CCCC2C1CCCC2 269982a_100000211887_100102525003 [0,0,0,2,0,0|2,0,0]=4 12956 B17R2.291558 NC(=O)CCCN1CCCC2C1CCCC2 34a_100000211887_100102525003 [0,0,0,2,0,0|2,0,0]=4 12957 B17R2.291558 NC(=O)CCNC1CCCC2C1CCCC2 269862a_100000740010_100000032293 [0,0,0,2,0,0|2,0,0]=4 12958 B17R2.291558 NC(=O)CCOC1CCCC2C1CCCC2 34a_100000042559_100000731001 [0,0,0,2,0,0|2,0,0]=4 12959 B17R2.291558 NC(=O)CCOC1CCCC2C1CCCC2 7a_100000042559_100000744528 [0,0,0,2,0,0|2,0,0]=4 12960 B17R2.2458 CCCC1CCCCC1OC2COC(=O)O2 34a_100011217265_100000032252 [0,0,0,2,0,0|2,0,0]=4 12961 B17R2.2458 CCCC1CCCCN1CC2CNC(=O)O2 2230a_100000701414_100000181169 [0,0,0,2,0,0|2,0,0]=4 12962 B17R2.2458 CCCC1CCCCN1CC2CNC(=O)O2 269982a_100000701414_100000181169 [0,0,0,2,0,0|2,0,0]=4 12963 B17R2.2458 CCCC1CCCCN1CC2CNC(=O)O2 34a_100000701414_100000181169 [0,0,0,2,0,0|2,0,0]=4 12964 B17R2.2458 CCCC1CCCCN1CC2COC(=O)O2 269982a_100000701414_100000073702 [0,0,0,2,0,0|2,0,0]=4 12965 B17R2.2458 CCCC1CCCCN1CC2COC(=O)O2 34a_100000701414_100000073702 [0,0,0,2,0,0|2,0,0]=4 12966 B17R2.2458 CCCC1CCCCN1C[C@@H]2CCC(=O)N2 2230a_100000701414_100015189358 [0,0,0,2,0,0|2,0,0]=4 12967 B17R2.2458 CCCC1CCCCN1C[C@@H]2CCC(=O)N2 269982a_100000701414_100015189358 [0,0,0,2,0,0|2,0,0]=4 12968 B17R2.3247 O=C1CCC(N1)COCCCC2CCCC2 34a_100000737831_100011713738 [0,0,0,2,0,0|2,0,0]=4 12969 B17R2.3247 O=C1CC[C@@H](N1)CNCCCC2CCCC2 2230a_100015423886_100011713738 [0,0,0,2,0,0|2,0,0]=4 12970 B17R2.3247 O=C1CC[C@@H](N1)CNCCCC2CCCC2 34a_100015423886_100011713738 [0,0,0,2,0,0|2,0,0]=4 12971 B17R2.3247 O=C1CC[C@H](N1)CNCCCC2CCCC2 2230a_100000736752_100015189358 [0,0,0,2,0,0|2,0,0]=4 12972 B17R2.3247 O=C1CC[C@H](N1)COCCCC2CCCC2 7a_100011215328_100015189358 [0,0,0,2,0,0|2,0,0]=4 12973 B17R2.3247 O=C1CC[C@H](N1)CSCCCC2CCCC2 62a_100011713738_100015189358 [0,0,0,2,0,0|2,0,0]=4 12974 B17R2.3247 O=C1CC[C@H](N1)CSCCCC2CCCC2 62a_100015189358_100011713738 [0,0,0,2,0,0|2,0,0]=4 12975 B17R2.3247 O=C1NCC(O1)CNCCCC2CCCC2 2230a_100000736752_100000181169 [0,0,0,2,0,0|2,0,0]=4 12976 B17R2.3247 O=C1NCC(O1)CNCCCC2CCCC2 34a_100000736752_100000181169 [0,0,0,2,0,0|2,0,0]=4 12977 B17R2.3247 O=C1NCC(O1)COCCCC2CCCC2 34a_100011215328_100000181169 [0,0,0,2,0,0|2,0,0]=4 12978 B17R2.3247 O=C1NCC(O1)COCCCC2CCCC2 34a_100011315639_100011713738 [0,0,0,2,0,0|2,0,0]=4 12979 B17R2.3247 O=C1NCC(O1)COCCCC2CCCC2 7a_100011215328_100000181169 [0,0,0,2,0,0|2,0,0]=4 12980 B17R2.3247 O=C1NCC(O1)CSCCCC2CCCC2 62a_100000181169_100011713738 [0,0,0,2,0,0|2,0,0]=4 12981 B17R2.3247 O=C1NCC(O1)CSCCCC2CCCC2 62a_100011713738_100000181169 [0,0,0,2,0,0|2,0,0]=4 12982 B17R2.3247 O=C1OCC(O1)CNCCCC2CCCC2 34a_100000736752_100000073702 [0,0,0,2,0,0|2,0,0]=4 12983 B17R2.3247 O=C1OCC(O1)COCCCC2CCCC2 34a_100011215328_100000073702 [0,0,0,2,0,0|2,0,0]=4 12984 B17R2.3247 O=C1OCC(O1)CSCCCC2CCCC2 62a_100000073702_100011713738 [0,0,0,2,0,0|2,0,0]=4 12985 B17R2.3247 O=C1OCC(O1)CSCCCC2CCCC2 62a_100011713738_100000073702 [0,0,0,2,0,0|2,0,0]=4 12986 B17R2.4073 CCCC1CCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000723119 [0,0,0,2,0,0|2,0,0]=4 12987 B17R2.4073 CCCC1CCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100000723119 [0,0,0,2,0,0|2,0,0]=4 12988 B17R2.18649 O=C1CC[C@@H](N1)CNC2CCCCCCC2 270004a_100015423886_100000210524 [0,0,0,2,0,0|2,0,0]=4 12989 B17R2.18649 O=C1CC[C@H](N1)CNC2CCCCCCC2 2230a_100000211152_100015189358 [0,0,0,2,0,0|2,0,0]=4 12990 B17R2.18649 O=C1CC[C@H](N1)COC2CCCCCCC2 7a_100000210054_100015189358 [0,0,0,2,0,0|2,0,0]=4 12991 B17R2.18649 O=C1NCC(O1)CNC2CCCCCCC2 2230a_100000211152_100000181169 [0,0,0,2,0,0|2,0,0]=4 12992 B17R2.18649 O=C1NCC(O1)CNC2CCCCCCC2 34a_100000211152_100000181169 [0,0,0,2,0,0|2,0,0]=4 12993 B17R2.18649 O=C1NCC(O1)COC2CCCCCCC2 34a_100000210054_100000181169 [0,0,0,2,0,0|2,0,0]=4 12994 B17R2.18649 O=C1NCC(O1)COC2CCCCCCC2 7a_100000210054_100000181169 [0,0,0,2,0,0|2,0,0]=4 12995 B17R2.18649 O=C1OCC(O1)CNC2CCCCCCC2 34a_100000211152_100000073702 [0,0,0,2,0,0|2,0,0]=4 12996 B17R2.18649 O=C1OCC(O1)COC2CCCCCCC2 34a_100000210054_100000073702 [0,0,0,2,0,0|2,0,0]=4 12997 B17R2.18649 O=C1OCC(O1)OCC2CCCCCCC2 34a_100011216312_100000032252 [0,0,0,2,0,0|2,0,0]=4 12998 B17R2.18825 O=C1CCC(N1)COCC2CCCCCC2 34a_100000737831_200000696569 [0,0,0,2,0,0|2,0,0]=4 12999 B17R2.18825 O=C1CC[C@@H](N1)CNCC2CCCCCC2 2230a_100015423886_200000696569 [0,0,0,2,0,0|2,0,0]=4 13000 B17R2.18825 O=C1CC[C@@H](N1)CNCC2CCCCCC2 269862a_100015423886_200000763224 [0,0,0,2,0,0|2,0,0]=4 13001 B17R2.18825 O=C1CC[C@@H](N1)CNCC2CCCCCC2 34a_100015423886_200000696569 [0,0,0,2,0,0|2,0,0]=4 13002 B17R2.18825 O=C1CC[C@H](N1)CNCC2CCCCCC2 2230a_100015204231_100015189358 [0,0,0,2,0,0|2,0,0]=4 13003 B17R2.18825 O=C1CC[C@H](N1)COCC2CCCCCC2 7a_100000699130_100015189358 [0,0,0,2,0,0|2,0,0]=4 13004 B17R2.18825 O=C1CC[C@H](N1)CSCC2CCCCCC2 62a_100015189358_200000696569 [0,0,0,2,0,0|2,0,0]=4 13005 B17R2.18825 O=C1CC[C@H](N1)CSCC2CCCCCC2 62a_200000696569_100015189358 [0,0,0,2,0,0|2,0,0]=4 13006 B17R2.18825 O=C1NCC(O1)CNCC2CCCCCC2 2230a_100015204231_100000181169 [0,0,0,2,0,0|2,0,0]=4 13007 B17R2.18825 O=C1NCC(O1)CNCC2CCCCCC2 34a_100015204231_100000181169 [0,0,0,2,0,0|2,0,0]=4 13008 B17R2.18825 O=C1NCC(O1)COCC2CCCCCC2 34a_100000699130_100000181169 [0,0,0,2,0,0|2,0,0]=4 13009 B17R2.18825 O=C1NCC(O1)COCC2CCCCCC2 34a_100011315639_200000696569 [0,0,0,2,0,0|2,0,0]=4 13010 B17R2.18825 O=C1NCC(O1)COCC2CCCCCC2 7a_100000699130_100000181169 [0,0,0,2,0,0|2,0,0]=4 13011 B17R2.18825 O=C1NCC(O1)CSCC2CCCCCC2 62a_100000181169_200000696569 [0,0,0,2,0,0|2,0,0]=4 13012 B17R2.18825 O=C1NCC(O1)CSCC2CCCCCC2 62a_200000696569_100000181169 [0,0,0,2,0,0|2,0,0]=4 13013 B17R2.18825 O=C1OCC(O1)CNCC2CCCCCC2 34a_100015204231_100000073702 [0,0,0,2,0,0|2,0,0]=4 13014 B17R2.18825 O=C1OCC(O1)COCC2CCCCCC2 34a_100000699130_100000073702 [0,0,0,2,0,0|2,0,0]=4 13015 B17R2.18825 O=C1OCC(O1)CSCC2CCCCCC2 62a_100000073702_200000696569 [0,0,0,2,0,0|2,0,0]=4 13016 B17R2.18825 O=C1OCC(O1)CSCC2CCCCCC2 62a_200000696569_100000073702 [0,0,0,2,0,0|2,0,0]=4 13017 B17R2.18825 O=C1OCC(O1)NCCC2CCCCCC2 34a_100011532351_100000032252 [0,0,0,2,0,0|2,0,0]=4 13018 B17R2.18856 O=C1CC[C@H](N1)CN2CCCCCCCC2 2230a_100000039187_100015189358 [0,0,0,2,0,0|2,0,0]=4 13019 B17R2.18856 O=C1CC[C@H](N1)CN2CCCCCCCC2 269982a_100000039187_100015189358 [0,0,0,2,0,0|2,0,0]=4 13020 B17R2.18856 O=C1NCC(O1)CN2CCCCCCCC2 2230a_100000039187_100000181169 [0,0,0,2,0,0|2,0,0]=4 13021 B17R2.18856 O=C1NCC(O1)CN2CCCCCCCC2 269982a_100000039187_100000181169 [0,0,0,2,0,0|2,0,0]=4 13022 B17R2.18856 O=C1NCC(O1)CN2CCCCCCCC2 34a_100000039187_100000181169 [0,0,0,2,0,0|2,0,0]=4 13023 B17R2.18856 O=C1OCC(O1)CN2CCCCCCCC2 269982a_100000039187_100000073702 [0,0,0,2,0,0|2,0,0]=4 13024 B17R2.18856 O=C1OCC(O1)CN2CCCCCCCC2 34a_100000039187_100000073702 [0,0,0,2,0,0|2,0,0]=4 13025 B17R2.18270 CCCC1CCCC1N2CCC[C@H]2C(=O)N 270004a_100000003125_100000723119 [0,0,0,2,0,0|2,0,0]=4 13026 B17R2.288350 NC(=O)CCCCCN1CCCC1C2CC2 2230a_200000757794_100009817443 [0,0,0,2,0,0|2,0,0]=4 13027 B17R2.288350 NC(=O)CCCCCN1CCCC1C2CC2 269982a_200000757794_100009817443 [0,0,0,2,0,0|2,0,0]=4 13028 B17R2.288350 NC(=O)CCCCCN1CCCC1C2CC2 34a_200000757794_100009817443 [0,0,0,2,0,0|2,0,0]=4 13029 B17R2.951003 CC(=O)CCCNCC12CCCC1CCC2 34a_100159271432_100000685027 [0,0,0,2,0,0|2,0,0]=4 13030 B17R2.951003 NC(=O)CCCNCC12CCCC1CCC2 34a_100159271432_100102525003 [0,0,0,2,0,0|2,0,0]=4 13031 B17R2.4290 CCCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000210207 [0,0,0,2,0,0|1,0,0]=3 13032 B17R2.4290 COCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000766300 [0,0,0,2,0,0|2,0,0]=4 13033 B17R2.4290 CSCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100011218213 [0,0,0,2,0,0|2,0,0]=4 13034 B17R2.4290 O=C(O)C1CCC2CCCCC2N1CCF 269956a_100000765686_100011217306 [0,0,0,2,0,0|2,0,0]=4 13035 B17R2.4290 O=C(O)C1CCC2CCCCC2N1CCO 269956a_100000765686_100000211926 [0,0,0,2,0,0|2,0,0]=4 13036 B17R2.5385 CC(=O)CCN1C(CCC2C1CCCC2)C 269982a_100132302184_100000053229 [0,0,0,2,0,0|2,0,0]=4 13037 B17R2.5385 CC1CCC2CCCCC2N1CCC(=O)N 2230a_100132302184_100000744528 [0,0,0,2,0,0|2,0,0]=4 13038 B17R2.5385 CC1CCC2CCCCC2N1CCC(=O)N 269982a_100132302184_100000744528 [0,0,0,2,0,0|2,0,0]=4 13039 B17R2.5385 CC1CCC2CCCCC2N1CCC(=O)N 34a_100132302184_100000731001 [0,0,0,2,0,0|2,0,0]=4 13040 B17R2.835 CC(=O)CCCN1CCCC1C2CCCC2 269982a_100000743374_100011215641 [0,0,0,2,0,0|2,0,0]=4 13041 B17R2.835 CC(=O)CCCN1CCCC1C2CCCC2 34a_100000743374_100000685027 [0,0,0,2,0,0|2,0,0]=4 13042 B17R2.835 NC(=O)CCCN1CCCC1C2CCCC2 269982a_100000743374_100102525003 [0,0,0,2,0,0|2,0,0]=4 13043 B17R2.835 NC(=O)CCCN1CCCC1C2CCCC2 34a_100000743374_100102525003 [0,0,0,2,0,0|2,0,0]=4 13044 B17R2.835 NC(=O)CCNC1CCCC1C2CCCC2 269862a_100000740010_100011216175 [0,0,0,2,0,0|2,0,0]=4 13045 B17R2.5624 O=C(O)CCC1CCCCN1C2CCCC2 269956a_100000694054_100000179811 [0,0,0,2,0,0|1,0,0]=3 13046 B17R2.5624 O=C(O)CCC1CCCCN1C2CCOC2 269956a_100000694054_100000731011 [0,0,0,2,0,0|2,0,0]=4 13047 B17R2.5664 O=C(O)C1CCCCCN1CC2CCCC2 269956a_100000758484_100000740388 [0,0,0,2,0,0|1,0,0]=3 13048 B17R2.5664 O=C(O)C1CCCCCN1CC2CCCO2 269956a_100000758484_100000183445 [0,0,0,2,0,0|2,0,0]=4 13049 B17R2.5664 O=C(O)C1CCCCCN1CC2CCOC2 269956a_100000758484_100011261433 [0,0,0,2,0,0|2,0,0]=4 13050 B17R2.5678 NC(=O)C1CCCCN1CCC2CCCC2 2230a_100000181395_100000760354 [0,0,0,2,0,0|2,0,0]=4 13051 B17R2.5678 NC(=O)C1CCCCN1CCC2CCCC2 269982a_100000181395_100000760354 [0,0,0,2,0,0|2,0,0]=4 13052 B17R2.5678 NC(=O)C1CCCCN1CCC2CCCC2 34a_100000181395_100000760354 [0,0,0,2,0,0|2,0,0]=4 13053 B17R2.5678 O=C(O)C1CCSCN1CCC2CCCC2 269956a_100015185162_100000760354 [0,0,0,2,0,0|2,0,0]=4 13054 B17R2.5678 O=C(O)C1CSCCN1CCC2CCCC2 269956a_100011346106_100000760354 [0,0,0,2,0,0|2,0,0]=4 13055 B17R2.5678 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCCC2 269956a_100009816435_100000740388 [0,0,0,2,0,0|1,0,0]=3 13056 B17R2.5678 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCCO2 269956a_100009816435_100000183445 [0,0,0,2,0,0|2,0,0]=4 13057 B17R2.5678 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCOC2 269956a_100009816435_100011261433 [0,0,0,2,0,0|2,0,0]=4 13058 B17R2.5678 O=C(O)[C@H]1CCCCN1CCC2CCCC2 269956a_100000763471_100000760354 [0,0,0,2,0,0|1,0,0]=3 13059 B17R2.5678 O=C(O)[C@H]1CCCCN1CCN2CCCC2 269956a_100000763471_100000004467 [0,0,0,2,0,0|2,0,0]=4 13060 B17R2.5678 O=C(O)[C@H]1COCCN1CCC2CCCC2 269956a_100016993156_100000760354 [0,0,0,2,0,0|2,0,0]=4 13061 B17R2.5702 NC(=O)[C@@H]1CCCN1CCCC2CCCC2 2230a_100000003125_100011713738 [0,0,0,2,0,0|2,0,0]=4 13062 B17R2.5702 O=C(O)C1SCCN1CCCC2CCCC2 269956a_100000035718_100011713738 [0,0,0,2,0,0|2,0,0]=4 13063 B17R2.5702 O=C(O)[C@@H]1CCCN1CCCC2CCCC2 269956a_100000743916_100011713738 [0,0,0,2,0,0|1,0,0]=3 13064 B17R2.5702 O=C(O)[C@@H]1CCCN1CCCN2CCCC2 269956a_100000743916_100011445909 [0,0,0,2,0,0|2,0,0]=4 13065 B17R2.5702 O=C(O)[C@@H]1CSCN1CCCC2CCCC2 269956a_100000743924_100011713738 [0,0,0,2,0,0|2,0,0]=4 13066 B17R2.2880 CCC1CCCC1N2CCCCC2C(=O)N 270004a_100000181395_100000749056 [0,0,0,2,0,0|2,0,0]=4 13067 B17R2.6436 CCCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210211 [0,0,0,2,0,0|1,0,0]=3 13068 B17R2.6436 CCOCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000739092 [0,0,0,2,0,0|2,0,0]=4 13069 B17R2.6436 COCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000233755 [0,0,0,2,0,0|2,0,0]=4 13070 B17R2.6436 CSCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000212216 [0,0,0,2,0,0|2,0,0]=4 13071 B17R2.6436 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCF 269956a_100000703543_100011934791 [0,0,0,2,0,0|2,0,0]=4 13072 B17R2.6436 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCCO 269956a_100000703543_100011215043 [0,0,0,2,0,0|2,0,0]=4 13073 B17R2.289249 O=C(O)CCC1CCCCN1CCC2CC2 269956a_100000694054_100000694398 [0,0,0,2,0,0|1,0,0]=3 13074 B17R2.289249 O=C(O)CCC1CCCCN1CCC2CO2 269956a_100000694054_100000732470 [0,0,0,2,0,0|2,0,0]=4 13075 B17R2.290149 O=C(O)CCC1CCCCN1CC2CCC2 269956a_100000694054_100000763275 [0,0,0,2,0,0|1,0,0]=3 13076 B17R2.290149 O=C(O)CCC1CCCCN1CC2CCO2 269956a_100000694054_100000103362 [0,0,0,2,0,0|2,0,0]=4 13077 B17R2.290149 O=C(O)CCC1CCCCN1CC2COC2 269956a_100000694054_100010264016 [0,0,0,2,0,0|2,0,0]=4 13078 B17R2.45243 O=C(O)[C@@H]1CCCC[C@H]1NCCCC2CO2 269956a_100009816435_100000733510 [0,0,0,2,0,0|2,0,0]=4 13079 B17R2.45250 NC(=O)C1CCCCN1C2CCCCCC2 269982a_100000181395_100011217769 [0,0,0,2,0,0|2,0,0]=4 13080 B17R2.45250 NC(=O)C1CCCCN1C2CCCCCC2 270004a_100000181395_100000210131 [0,0,0,2,0,0|2,0,0]=4 13081 B17R2.45250 NC(=O)C1CCCCN1C2CCCCCC2 34a_100000181395_100011217769 [0,0,0,2,0,0|2,0,0]=4 13082 B17R2.45250 O=C(O)C1CCSCN1C2CCCCCC2 269956a_100015185162_100011217769 [0,0,0,2,0,0|2,0,0]=4 13083 B17R2.45250 O=C(O)C1CSCCN1C2CCCCCC2 269956a_100011346106_100011217769 [0,0,0,2,0,0|2,0,0]=4 13084 B17R2.45250 O=C(O)[C@H]1CCCCN1C2CCCCCC2 269956a_100000763471_100011217769 [0,0,0,2,0,0|1,0,0]=3 13085 B17R2.45250 O=C(O)[C@H]1COCCN1C2CCCCCC2 269956a_100016993156_100011217769 [0,0,0,2,0,0|2,0,0]=4 13086 B17R2.287686 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CC2 269956a_200049070474_100000742324 [0,0,0,2,0,0|1,0,0]=3 13087 B17R2.287686 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CO2 269956a_200049070474_102125554688 [0,0,0,2,0,0|2,0,0]=4 13088 B17R2.287686 O=C(O)[C@H]1CCCCCC[C@H]1NCC2CS2 269956a_200049070474_100000031435 [0,0,0,2,0,0|2,0,0]=4 13089 B17R2.287686 O=C(O)[C@H]1CCCCCC[C@H]1NC[C@@H]2CO2 269956a_200049070474_100000745022 [0,0,0,2,0,0|2,0,0]=4 13090 B17R2.292589 O=C(O)[C@H]1CCCCCC[C@H]1NC2CCC2 269956a_200049070474_100000749161 [0,0,0,2,0,0|1,0,0]=3 13091 B17R2.292589 O=C(O)[C@H]1CCCCCC[C@H]1NC2COC2 269956a_200049070474_100009818527 [0,0,0,2,0,0|2,0,0]=4 13092 B17R2.45388 NC(=O)[C@@H]1CCCN1CC2CCCCCC2 2230a_100000003125_200000696569 [0,0,0,2,0,0|2,0,0]=4 13093 B17R2.45388 O=C(O)C1SCCN1CC2CCCCCC2 269956a_100000035718_200000696569 [0,0,0,2,0,0|2,0,0]=4 13094 B17R2.45388 O=C(O)[C@@H]1CCCN1CC2CCCCCC2 269956a_100000743916_200000696569 [0,0,0,2,0,0|1,0,0]=3 13095 B17R2.45388 O=C(O)[C@@H]1CSCN1CC2CCCCCC2 269956a_100000743924_200000696569 [0,0,0,2,0,0|2,0,0]=4 13096 B17R2.45434 NC(=O)[C@@H]1CCCN1C2CCCCCCC2 270004a_100000003125_100000210524 [0,0,0,2,0,0|2,0,0]=4 13097 B17R2.292387 O=C(O)C1CCCCCN1CCCC2CO2 269956a_100000758484_100000733510 [0,0,0,2,0,0|2,0,0]=4 13098 B17R2.291339 O=C(O)C1CCN1CCN2CCCCCC2 269956a_100000021838_100000722644 [0,0,0,2,0,0|2,0,0]=4