0 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,0,0,0,0,0|2,0,2]=4 1 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,0,0,0,0,0|2,0,2]=4 2 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,0,0,0,0,0|1,0,3]=4 3 B14R0.394 C#CCCCCCCCNOCC(=O)O 269956a_100000106656_100153394163 [0,0,0,0,0,0|2,0,2]=4 4 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,0,0,0,0,0|2,0,2]=4 5 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,0,0,0,0,0|2,0,2]=4 6 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,0,0,0,0,0|2,0,2]=4 7 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,0,0,0,0,0|2,0,2]=4 8 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,0,0,0,0,0|2,0,2]=4 9 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,0,0,0,0,0|2,0,2]=4 10 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,0,0,0,0,0|2,0,2]=4 11 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,0,0,0,0,0|2,0,2]=4 12 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,0,0,0,0,0|2,0,2]=4 13 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,0,0,0,0,0|2,0,2]=4 14 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,0,0,0,0,0|2,0,2]=4 15 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,0,0,0,0,0|2,0,2]=4 16 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,0,0,0,0,0|2,0,2]=4 17 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,0,0,0,0,0|2,0,2]=4 18 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,0,0,0,0,0|2,0,2]=4 19 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,0,0,0,0,0|2,0,2]=4 20 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,0,0,0,0,0|2,0,2]=4 21 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,0,0,0,0,0|2,0,2]=4 22 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,0,0,0,0,0|2,0,2]=4 23 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,0,0,0,0,0|2,0,2]=4 24 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,0,0,0,0,0|2,0,2]=4 25 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,0,0,0,0,0|2,0,2]=4 26 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,0,0,0,0,0|2,0,2]=4 27 B14R0.394 C#CCCCCCNCCOCC(=O)O 269956a_100000700818_100012094781 [0,0,0,0,0,0|2,0,2]=4 28 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,0,0,0,0,0|2,0,2]=4 29 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,0,0,0,0,0|2,0,2]=4 30 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,0,0,0,0,0|2,0,2]=4 31 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,0,0,0,0,0|2,0,2]=4 32 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,0,0,0,0,0|2,0,2]=4 33 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,0,0,0,0,0|2,0,2]=4 34 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,0,0,0,0,0|2,0,2]=4 35 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,0,0,0,0,0|2,0,2]=4 36 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,0,0,0,0,0|2,0,2]=4 37 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,0,0,0,0,0|2,0,2]=4 38 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,0,0,0,0,0|2,0,2]=4 39 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,0,0,0,0,0|2,0,2]=4 40 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,0,0,0,0,0|1,0,3]=4 41 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,0,0,0,0,0|2,0,2]=4 42 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,0,0,0,0,0|2,0,2]=4 43 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,0,0,0,0,0|4,0,0]=4 44 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,0,0,0,0,0|3,0,0]=3 45 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,0,0,0,0,0|3,0,0]=3 46 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,0,0,0,0,0|4,0,0]=4 47 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,0,0,0,0,0|4,0,0]=4 48 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,0,0,0,0,0|4,0,0]=4 49 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,0,0,0,0,0|4,0,0]=4 50 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,0,0,0,0,0|3,0,0]=3 51 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,0,0,0,0,0|3,0,0]=3 52 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,0,0,0,0,0|3,0,0]=3 53 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,0,0,0,0,0|4,0,0]=4 54 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,0,0,0,0,0|4,0,0]=4 55 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,0,0,0,0,0|4,0,0]=4 56 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,0,0,0,0,0|4,0,0]=4 57 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,0,0,0,0,0|4,0,0]=4 58 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,0,0,0,0,0|4,0,0]=4 59 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,0,0,0,0,0|4,0,0]=4 60 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,0,0,0,0,0|4,0,0]=4 61 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,0,0,0,0,0|4,0,0]=4 62 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,0,0,0,0,0|4,0,0]=4 63 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,0,0,0,0,0|4,0,0]=4 64 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,0,0,0,0,0|3,0,0]=3 65 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,0,0,0,0,0|3,0,0]=3 66 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,0,0,0,0,0|4,0,0]=4 67 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,0,0,0,0,0|4,0,0]=4 68 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,0,0,0,0,0|4,0,0]=4 69 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,0,0,0,0,0|4,0,0]=4 70 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,0,0,0,0,0|3,0,0]=3 71 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,0,0,0,0,0|3,0,0]=3 72 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,0,0,0,0,0|3,0,0]=3 73 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,0,0,0,0,0|4,0,0]=4 74 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,0,0,0,0,0|4,0,0]=4 75 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,0,0,0,0,0|4,0,0]=4 76 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,0,0,0,0,0|4,0,0]=4 77 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,0,0,0,0,0|4,0,0]=4 78 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,0,0,0,0,0|4,0,0]=4 79 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,0,0,0,0,0|3,0,0]=3 80 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,0,0,0,0,0|3,0,0]=3 81 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,0,0,0,0,0|4,0,0]=4 82 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,0,0,0,0,0|4,0,0]=4 83 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,0,0,0,0,0|4,0,0]=4 84 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,0,0,0,0,0|4,0,0]=4 85 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,0,0,0,0,0|3,0,0]=3 86 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,0,0,0,0,0|3,0,0]=3 87 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,0,0,0,0,0|3,0,0]=3 88 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,0,0,0,0,0|4,0,0]=4 89 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,0,0,0,0,0|4,0,0]=4 90 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,0,0,0,0,0|4,0,0]=4 91 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,0,0,0,0,0|4,0,0]=4 92 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,0,0,0,0,0|4,0,0]=4 93 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,0,0,0,0,0|4,0,0]=4 94 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,0,0,0,0,0|1,0,2]=3 95 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,0,0,0,0,0|2,0,2]=4 96 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,0,0,0,0,0|2,0,2]=4 97 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,0,0,0,0,0|2,0,2]=4 98 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,0,0,0,0,0|2,0,2]=4 99 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,0,0,0,0,0|2,0,2]=4 100 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,0,0,0,0,0|1,0,2]=3 101 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,0,0,0,0,0|2,0,2]=4 102 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,0,0,0,0,0|2,0,2]=4 103 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,0,0,0,0,0|2,0,2]=4 104 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,0,0,0,0,0|1,0,3]=4 105 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,0,0,0,0,0|2,0,2]=4 106 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,0,0,0,0,0|2,0,2]=4 107 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,0,0,0,0,0|1,0,3]=4 108 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,0,0,0,0,0|1,0,3]=4 109 B14R0.394 C=CCCCCCCCNOCC(=O)O 269956a_100000106656_100012355270 [0,0,0,0,0,0|2,0,2]=4 110 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,0,0,0,0,0|2,0,2]=4 111 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,0,0,0,0,0|2,0,2]=4 112 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,0,0,0,0,0|2,0,2]=4 113 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,0,0,0,0,0|2,0,2]=4 114 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,0,0,0,0,0|2,0,2]=4 115 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,0,0,0,0,0|2,0,2]=4 116 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,0,0,0,0,0|2,0,2]=4 117 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,0,0,0,0,0|2,0,2]=4 118 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,0,0,0,0,0|2,0,2]=4 119 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,0,0,0,0,0|2,0,2]=4 120 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,0,0,0,0,0|2,0,2]=4 121 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,0,0,0,0,0|2,0,2]=4 122 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,0,0,0,0,0|2,0,2]=4 123 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,0,0,0,0,0|2,0,2]=4 124 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,0,0,0,0,0|2,0,2]=4 125 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,0,0,0,0,0|2,0,2]=4 126 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,0,0,0,0,0|2,0,2]=4 127 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,0,0,0,0,0|2,0,2]=4 128 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,0,0,0,0,0|2,0,2]=4 129 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,0,0,0,0,0|2,0,2]=4 130 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,0,0,0,0,0|2,0,2]=4 131 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,0,0,0,0,0|2,0,2]=4 132 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,0,0,0,0,0|2,0,2]=4 133 B14R0.394 C=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000700193 [0,0,0,0,0,0|2,0,2]=4 134 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,0,0,0,0,0|2,0,2]=4 135 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,0,0,0,0,0|2,0,2]=4 136 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,0,0,0,0,0|2,0,2]=4 137 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,0,0,0,0,0|2,0,2]=4 138 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,0,0,0,0,0|2,0,2]=4 139 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,0,0,0,0,0|2,0,2]=4 140 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,0,0,0,0,0|2,0,2]=4 141 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,0,0,0,0,0|2,0,2]=4 142 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,0,0,0,0,0|2,0,2]=4 143 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,0,0,0,0,0|2,0,2]=4 144 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,0,0,0,0,0|2,0,2]=4 145 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,0,0,0,0,0|2,0,2]=4 146 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,0,0,0,0,0|1,0,3]=4 147 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,0,0,0,0,0|2,0,2]=4 148 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,0,0,0,0,0|2,0,2]=4 149 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,0,0,0,0,0|2,0,0]=2 150 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,0,0,0,0,0|3,0,0]=3 151 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,0,0,0,0,0|3,0,0]=3 152 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,0,0,0,0,0|3,0,0]=3 153 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,0,0,0,0,0|3,0,0]=3 154 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,0,0,0,0,0|3,0,0]=3 155 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,0,0,0,0,0|3,0,0]=3 156 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,0,0,0,0,0|3,0,0]=3 157 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,0,0,0,0,0|3,0,0]=3 158 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,0,0,0,0,0|3,0,1]=4 159 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,0,0,0,0,0|3,0,1]=4 160 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,0,0,0,0,0|3,0,1]=4 161 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,0,0,0,0,0|3,0,1]=4 162 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,0,0,0,0,0|3,0,0]=3 163 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,0,0,0,0,0|3,0,0]=3 164 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,0,0,0,0,0|3,0,0]=3 165 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,0,0,0,0,0|3,0,0]=3 166 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,0,0,0,0,0|3,0,0]=3 167 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,0,0,0,0,0|4,0,0]=4 168 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,0,0,0,0,0|3,0,1]=4 169 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,0,0,0,0,0|3,0,0]=3 170 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,0,0,0,0,0|3,0,0]=3 171 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,0,0,0,0,0|3,0,0]=3 172 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,0,0,0,0,0|3,0,0]=3 173 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,0,0,0,0,0|3,0,0]=3 174 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,0,0,0,0,0|4,0,0]=4 175 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,0,0,0,0,0|3,0,1]=4 176 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,0,0,0,0,0|3,0,1]=4 177 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,0,0,0,0,0|3,0,0]=3 178 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,0,0,0,0,0|3,0,0]=3 179 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,0,0,0,0,0|3,0,0]=3 180 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,0,0,0,0,0|3,0,0]=3 181 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,0,0,0,0,0|3,0,0]=3 182 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,0,0,0,0,0|3,0,0]=3 183 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,0,0,0,0,0|3,0,0]=3 184 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,0,0,0,0,0|3,0,0]=3 185 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,0,0,0,0,0|3,0,0]=3 186 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,0,0,0,0,0|3,0,0]=3 187 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,0,0,0,0,0|4,0,0]=4 188 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,0,0,0,0,0|4,0,0]=4 189 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,0,0,0,0,0|4,0,0]=4 190 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,0,0,0,0,0|4,0,0]=4 191 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,0,0,0,0,0|4,0,0]=4 192 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,0,0,0,0,0|4,0,0]=4 193 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,0,0,0,0,0|4,0,0]=4 194 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,0,0,0,0,0|4,0,0]=4 195 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,0,0,0,0,0|4,0,0]=4 196 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,0,0,0,0,0|4,0,0]=4 197 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,0,0,0,0,0|4,0,0]=4 198 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,0,0,0,0,0|4,0,0]=4 199 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,0,0,0,0,0|4,0,0]=4 200 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,0,0,0,0,0|4,0,0]=4 201 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,0,0,0,0,0|4,0,0]=4 202 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,0,0,0,0,0|4,0,0]=4 203 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,0,0,0,0,0|4,0,0]=4 204 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,0,0,0,0,0|4,0,0]=4 205 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,0,0,0,0,0|4,0,0]=4 206 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,0,0,0,0,0|4,0,0]=4 207 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,0,0,0,0,0|4,0,0]=4 208 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,0,0,0,0,0|4,0,0]=4 209 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,0,0,0,0,0|4,0,0]=4 210 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,0,0,0,0,0|4,0,0]=4 211 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,0,0,0,0,0|4,0,0]=4 212 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,0,0,0,0,0|4,0,0]=4 213 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,0,0,0,0,0|4,0,0]=4 214 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,0,0,0,0,0|4,0,0]=4 215 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,0,0,0,0,0|4,0,0]=4 216 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,0,0,0,0,0|4,0,0]=4 217 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,0,0,0,0,0|4,0,0]=4 218 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,0,0,0,0,0|4,0,0]=4 219 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,0,0,0,0,0|4,0,0]=4 220 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,0,0,0,0,0|4,0,0]=4 221 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,0,0,0,0,0|4,0,0]=4 222 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,0,0,0,0,0|4,0,0]=4 223 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,0,0,0,0,0|4,0,0]=4 224 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,0,0,0,0,0|4,0,0]=4 225 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,0,0,0,0,0|4,0,0]=4 226 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,0,0,0,0,0|4,0,0]=4 227 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,0,0,0,0,0|4,0,0]=4 228 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,0,0,0,0,0|4,0,0]=4 229 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,0,0,0,0,0|4,0,0]=4 230 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,0,0,0,0,0|4,0,0]=4 231 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,0,0,0,0,0|4,0,0]=4 232 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,0,0,0,0,0|4,0,0]=4 233 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,0,0,0,0,0|4,0,0]=4 234 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,0,0,0,0,0|4,0,0]=4 235 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,0,0,0,0,0|4,0,0]=4 236 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,0,0,0,0,0|4,0,0]=4 237 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,0,0,0,0,0|4,0,0]=4 238 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,0,0,0,0,0|4,0,0]=4 239 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,0,0,0,0,0|4,0,0]=4 240 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,0,0,0,0,0|4,0,0]=4 241 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,0,0,0,0,0|4,0,0]=4 242 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,0,0,0,0,0|4,0,0]=4 243 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,0,0,0,0,0|4,0,0]=4 244 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,0,0,0,0,0|4,0,0]=4 245 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,0,0,0,0,0|4,0,0]=4 246 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,0,0,0,0,0|4,0,0]=4 247 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,0,0,0,0,0|4,0,0]=4 248 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,0,0,0,0,0|4,0,0]=4 249 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,0,0,0,0,0|4,0,0]=4 250 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,0,0,0,0,0|4,0,0]=4 251 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,0,0,0,0,0|4,0,0]=4 252 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,0,0,0,0,0|4,0,0]=4 253 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,0,0,0,0,0|4,0,0]=4 254 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,0,0,0,0,0|4,0,0]=4 255 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,0,0,0,0,0|4,0,0]=4 256 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,0,0,0,0,0|4,0,0]=4 257 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,0,0,0,0,0|4,0,0]=4 258 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,0,0,0,0,0|4,0,0]=4 259 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,0,0,0,0,0|4,0,0]=4 260 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,0,0,0,0,0|4,0,0]=4 261 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,0,0,0,0,0|4,0,0]=4 262 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 263 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 264 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,0,0,0,0,0|4,0,0]=4 265 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,0,0,0,0,0|4,0,0]=4 266 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,0,0,0,0,0|4,0,0]=4 267 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,0,0,0,0,0|4,0,0]=4 268 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,0,0,0,0,0|4,0,0]=4 269 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,0,0,0,0,0|4,0,0]=4 270 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 271 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,0,0,0,0,0|4,0,0]=4 272 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,0,0,0,0,0|4,0,0]=4 273 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,0,0,0,0,0|4,0,0]=4 274 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,0,0,0,0,0|4,0,0]=4 275 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 276 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 277 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,0,0,0,0,0|4,0,0]=4 278 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,0,0,0,0,0|4,0,0]=4 279 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,0,0,0,0,0|4,0,0]=4 280 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,0,0,0,0,0|4,0,0]=4 281 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,0,0,0,0,0|4,0,0]=4 282 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,0,0,0,0,0|4,0,0]=4 283 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 284 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,0,0,0,0,0|4,0,0]=4 285 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,0,0,0,0,0|4,0,0]=4 286 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,0,0,0,0,0|4,0,0]=4 287 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,0,0,0,0,0|4,0,0]=4 288 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 289 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 290 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,0,0,0,0,0|3,0,1]=4 291 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,0,0,0,0,0|3,0,1]=4 292 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 293 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,0,0,0,0,0|3,0,1]=4 294 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,0,0,0,0,0|3,0,1]=4 295 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 296 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,0,0,0,0,0|3,0,1]=4 297 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 298 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,0,0,0,0,0|3,0,1]=4 299 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,0,0,0,0,0|3,0,1]=4 300 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,0,0,0,0,0|3,0,1]=4 301 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,0,0,0,0,0|3,0,1]=4 302 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 303 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,0,0,0,0,0|3,0,1]=4 304 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,0,0,0,0,0|3,0,1]=4 305 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 306 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,0,0,0,0,0|3,0,1]=4 307 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 308 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,0,0,0,0,0|3,0,1]=4 309 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,0,0,0,0,0|3,0,1]=4 310 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,0,0,0,0,0|3,0,1]=4 311 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,0,0,0,0,0|3,0,1]=4 312 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,0,0,0,0,0|3,0,1]=4 313 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 314 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,0,0,0,0,0|3,0,1]=4 315 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,0,0,0,0,0|3,0,1]=4 316 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,0,0,0,0,0|2,0,2]=4 317 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,0,0,0,0,0|2,0,2]=4 318 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,0,0,0,0,0|2,0,2]=4 319 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,0,0,0,0,0|2,0,2]=4 320 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,0,0,0,0,0|2,0,2]=4 321 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,0,0,0,0,0|2,0,2]=4 322 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,0,0,0,0,0|2,0,2]=4 323 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,0,0,0,0,0|2,0,2]=4 324 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,0,0,0,0,0|2,0,2]=4 325 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,0,0,0,0,0|2,0,2]=4 326 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,0,0,0,0,0|2,0,2]=4 327 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,0,0,0,0,0|2,0,2]=4 328 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,0,0,0,0,0|2,0,2]=4 329 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,0,0,0,0,0|2,0,2]=4 330 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,0,0,0,0,0|1,0,3]=4 331 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,0,0,0,0,0|2,0,2]=4 332 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,0,0,0,0,0|2,0,2]=4 333 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,0,0,0,0,0|2,0,2]=4 334 B14R0.394 CCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000036426 [0,0,0,0,0,0|2,0,2]=4 335 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,0,0,0,0,0|1,0,2]=3 336 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,0,0,0,0,0|2,0,2]=4 337 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_100000747473_200000036426 [0,0,0,0,0,0|2,0,2]=4 338 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_200000036426_100000747473 [0,0,0,0,0,0|2,0,2]=4 339 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000036426 [0,0,0,0,0,0|1,0,3]=4 340 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_200000036426_100020667443 [0,0,0,0,0,0|1,0,3]=4 341 B14R0.394 CCC#CCCOCCCCCC(=O)N 34a_100000036655_100009817443 [0,0,0,0,0,0|2,0,2]=4 342 B14R0.394 CCC#CCCOCCCCCC(=O)N 7a_100000036655_100009817443 [0,0,0,0,0,0|2,0,2]=4 343 B14R0.394 CCC/C=C/COCCCCCC(=O)N 34a_100016278788_100009817443 [0,0,0,0,0,0|2,0,2]=4 344 B14R0.394 CCC/C=C/COCCCCCC(=O)N 7a_100016278788_100009817443 [0,0,0,0,0,0|2,0,2]=4 345 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,0,0,0,0,0|2,0,2]=4 346 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,0,0,0,0,0|2,0,2]=4 347 B14R0.394 CCCC#CCOCCCCCC(=O)N 34a_100000034806_100009817443 [0,0,0,0,0,0|2,0,2]=4 348 B14R0.394 CCCC#CCOCCCCCC(=O)N 7a_100000034806_100009817443 [0,0,0,0,0,0|2,0,2]=4 349 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,0,0,0,0,0|2,0,2]=4 350 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,0,0,0,0,0|2,0,2]=4 351 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,0,0,0,0,0|1,0,3]=4 352 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,0,0,0,0,0|2,0,2]=4 353 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,0,0,0,0,0|2,0,2]=4 354 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,0,0,0,0,0|2,0,2]=4 355 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,0,0,0,0,0|2,0,2]=4 356 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 34a_200016286491_100102525003 [0,0,0,0,0,0|2,0,2]=4 357 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 7a_200016286491_100102525003 [0,0,0,0,0,0|2,0,2]=4 358 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,0,0,0,0,0|1,0,2]=3 359 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,0,0,0,0,0|2,0,2]=4 360 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,0,0,0,0,0|2,0,2]=4 361 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,0,0,0,0,0|1,0,3]=4 362 B14R0.394 CCCCC#CCCCNOCC(=O)O 269956a_100000106656_200000047210 [0,0,0,0,0,0|2,0,2]=4 363 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,0,0,0,0,0|2,0,2]=4 364 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,0,0,0,0,0|2,0,2]=4 365 B14R0.394 CCCCC#CCCCOCCC(=O)N 34a_100000757172_200000047210 [0,0,0,0,0,0|2,0,2]=4 366 B14R0.394 CCCCC#CCCCOCCC(=O)N 7a_100000757172_200000047210 [0,0,0,0,0,0|2,0,2]=4 367 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,0,0,0,0,0|2,0,2]=4 368 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,0,0,0,0,0|2,0,2]=4 369 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_100000744528_200000047210 [0,0,0,0,0,0|2,0,2]=4 370 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_200000047210_100000744528 [0,0,0,0,0,0|2,0,2]=4 371 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,0,0,0,0,0|2,0,2]=4 372 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,0,0,0,0,0|2,0,2]=4 373 B14R0.394 CCCCC#CCCOCCCC(=O)N 34a_100000037610_100102525003 [0,0,0,0,0,0|2,0,2]=4 374 B14R0.394 CCCCC#CCCOCCCC(=O)N 7a_100000037610_100102525003 [0,0,0,0,0,0|2,0,2]=4 375 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,0,0,0,0,0|2,0,2]=4 376 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,0,0,0,0,0|2,0,2]=4 377 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,0,0,0,0,0|2,0,2]=4 378 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,0,0,0,0,0|2,0,2]=4 379 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,0,0,0,0,0|2,0,2]=4 380 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,0,0,0,0,0|2,0,2]=4 381 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,0,0,0,0,0|2,0,2]=4 382 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,0,0,0,0,0|2,0,2]=4 383 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,0,0,0,0,0|1,0,3]=4 384 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,0,0,0,0,0|2,0,2]=4 385 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,0,0,0,0,0|2,0,2]=4 386 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,0,0,0,0,0|2,0,2]=4 387 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,0,0,0,0,0|2,0,2]=4 388 B14R0.394 CCCCCC#CCCOCCC(=O)N 34a_200000042877_100000731001 [0,0,0,0,0,0|2,0,2]=4 389 B14R0.394 CCCCCC#CCCOCCC(=O)N 7a_200000042877_100000744528 [0,0,0,0,0,0|2,0,2]=4 390 B14R0.394 CCCCCC#CCNCCCC(=O)N 34a_100000739312_100009816472 [0,0,0,0,0,0|2,0,2]=4 391 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,0,0,0,0,0|2,0,2]=4 392 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,0,0,0,0,0|2,0,2]=4 393 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,0,0,0,0,0|2,0,2]=4 394 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,0,0,0,0,0|2,0,2]=4 395 B14R0.394 CCCCCC#CCOCCCC(=O)N 34a_200000033628_100102525003 [0,0,0,0,0,0|2,0,2]=4 396 B14R0.394 CCCCCC#CCOCCCC(=O)N 7a_200000033628_100102525003 [0,0,0,0,0,0|2,0,2]=4 397 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,0,0,0,0,0|2,0,2]=4 398 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,0,0,0,0,0|2,0,2]=4 399 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100009816472_100102525003 [0,0,0,0,0,0|2,0,2]=4 400 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100102525003_100009816472 [0,0,0,0,0,0|2,0,2]=4 401 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,0,0,0,0,0|2,0,2]=4 402 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,0,0,0,0,0|2,0,2]=4 403 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,0,0,0,0,0|2,0,2]=4 404 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,0,0,0,0,0|2,0,2]=4 405 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,0,0,0,0,0|2,0,2]=4 406 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,0,0,0,0,0|1,0,3]=4 407 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,0,0,0,0,0|2,0,2]=4 408 B14R0.394 CCCCCCC#CCOCCC(=O)N 34a_200000037284_100000731001 [0,0,0,0,0,0|2,0,2]=4 409 B14R0.394 CCCCCCC#CCOCCC(=O)N 7a_200000037284_100000744528 [0,0,0,0,0,0|2,0,2]=4 410 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,0,0,0,0,0|2,0,2]=4 411 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,0,0,0,0,0|2,0,2]=4 412 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,0,0,0,0,0|1,0,3]=4 413 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,0,0,0,0,0|3,0,1]=4 414 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,0,0,0,0,0|1,0,0]=1 415 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,0,0,0,0,0|1,0,0]=1 416 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,0,0,0,0,0|1,0,0]=1 417 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,0,0,0,0,0|3,0,0]=3 418 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,0,0,0,0,0|3,0,0]=3 419 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,0,0,0,0,0|3,0,0]=3 420 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,0,0,0,0,0|3,0,0]=3 421 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,0,0,0,0,0|3,0,0]=3 422 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,0,0,0,0,0|3,0,0]=3 423 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,0,0,0,0,0|3,0,0]=3 424 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,0,0,0,0,0|2,0,0]=2 425 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,0,0,0,0,0|2,0,0]=2 426 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,0,0,0,0,0|2,0,0]=2 427 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,0,0,0,0,0|2,0,0]=2 428 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_100138425928_100011215454 [0,0,0,0,0,0|3,0,1]=4 429 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_200011215754_100000210206 [0,0,0,0,0,0|3,0,1]=4 430 B14R0.394 CCCCCCCCCCCNC(C)C 34a_100138425928_100011215454 [0,0,0,0,0,0|3,0,1]=4 431 B14R0.394 CCCCCCCCCCCNC(C)C 34a_200011215754_100000210206 [0,0,0,0,0,0|3,0,1]=4 432 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,0,0,0,0,0|3,0,1]=4 433 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,0,0,0,0,0|3,0,1]=4 434 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,0,0,0,0,0|3,0,1]=4 435 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,0,0,0,0,0|2,0,0]=2 436 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,0,0,0,0,0|2,0,0]=2 437 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,0,0,0,0,0|2,0,0]=2 438 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,0,0,0,0,0|1,0,0]=1 439 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,0,0,0,0,0|1,0,1]=2 440 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000210953_100000210320 [0,0,0,0,0,0|3,0,1]=4 441 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000684558_100000210760 [0,0,0,0,0,0|3,0,1]=4 442 B14R0.394 CCCCCCCCCCNCC(C)C 270004a_100000684558_100000210432 [0,0,0,0,0,0|3,0,1]=4 443 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000210953_100000210320 [0,0,0,0,0,0|3,0,1]=4 444 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000684558_100000210624 [0,0,0,0,0,0|3,0,1]=4 445 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,0,0,0,0,0|2,0,1]=3 446 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,0,0,0,0,0|2,0,1]=3 447 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,0,0,0,0,0|2,0,1]=3 448 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,0,0,0,0,0|2,0,1]=3 449 B14R0.394 CCCCCCCCCCNCC(F)F 2230a_100000684558_100011934356 [0,0,0,0,0,0|3,0,1]=4 450 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000684558_100011934356 [0,0,0,0,0,0|3,0,1]=4 451 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000765723_100000210320 [0,0,0,0,0,0|3,0,1]=4 452 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,0,0,0,0,0|2,0,1]=3 453 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,0,0,0,0,0|2,0,1]=3 454 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,0,0,0,0,0|2,0,1]=3 455 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,0,0,0,0,0|2,0,0]=2 456 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,0,0,0,0,0|2,0,0]=2 457 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,0,0,0,0,0|2,0,0]=2 458 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,0,0,0,0,0|1,0,1]=2 459 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,0,0,0,0,0|3,0,1]=4 460 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,0,0,0,0,0|3,0,1]=4 461 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,0,0,0,0,0|3,0,1]=4 462 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,0,0,0,0,0|3,0,1]=4 463 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,0,0,0,0,0|3,0,1]=4 464 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,0,0,0,0,0|2,0,1]=3 465 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,0,0,0,0,0|2,0,1]=3 466 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,0,0,0,0,0|3,0,1]=4 467 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,0,0,0,0,0|3,0,1]=4 468 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,0,0,0,0,0|3,0,1]=4 469 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,0,0,0,0,0|3,0,1]=4 470 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,0,0,0,0,0|3,0,1]=4 471 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,0,0,0,0,0|2,0,1]=3 472 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,0,0,0,0,0|2,0,1]=3 473 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,0,0,0,0,0|2,0,1]=3 474 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,0,0,0,0,0|2,0,0]=2 475 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,0,0,0,0,0|1,0,1]=2 476 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,0,0,0,0,0|2,0,1]=3 477 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,0,0,0,0,0|2,0,1]=3 478 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,0,0,0,0,0|3,0,1]=4 479 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,0,0,0,0,0|3,0,1]=4 480 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,0,0,0,0,0|3,0,1]=4 481 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,0,0,0,0,0|2,0,0]=2 482 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,0,0,0,0,0|2,0,0]=2 483 B14R0.394 CCCCCCCCCNCCC(C)C 2230a_100000212291_100000210312 [0,0,0,0,0,0|3,0,1]=4 484 B14R0.394 CCCCCCCCCNCCC(C)C 269862a_100000212291_100000185833 [0,0,0,0,0,0|3,0,1]=4 485 B14R0.394 CCCCCCCCCNCCC(C)C 34a_100000212291_100000210312 [0,0,0,0,0,0|3,0,1]=4 486 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,0,0,0,0,0|2,0,1]=3 487 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,0,0,0,0,0|2,0,1]=3 488 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,0,0,0,0,0|2,0,1]=3 489 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,0,0,0,0,0|3,0,0]=3 490 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,0,0,0,0,0|2,0,0]=2 491 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,0,0,0,0,0|3,0,1]=4 492 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,0,0,0,0,0|3,0,1]=4 493 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,0,0,0,0,0|3,0,1]=4 494 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,0,0,0,0,0|2,0,0]=2 495 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,0,0,0,0,0|2,0,0]=2 496 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,0,0,0,0,0|2,0,0]=2 497 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,0,0,0,0,0|2,0,0]=2 498 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,0,0,0,0,0|2,0,0]=2 499 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,0,0,0,0,0|2,0,0]=2 500 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,0,0,0,0,0|2,0,0]=2 501 B14R0.394 CCCCCCCCCOCCC(C)Br 34a_100009893172_100011214924 [0,0,0,0,0,0|3,0,1]=4 502 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210254_100011214924 [0,0,0,0,0,0|3,0,1]=4 503 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210712_100000210312 [0,0,0,0,0,0|3,0,1]=4 504 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210254_100000210328 [0,0,0,0,0,0|3,0,1]=4 505 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210712_100000210626 [0,0,0,0,0,0|3,0,1]=4 506 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,0,0,0,0,0|2,0,1]=3 507 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,0,0,0,0,0|2,0,1]=3 508 B14R0.394 CCCCCCCCCOCCC(F)F 34a_100103093639_100011214924 [0,0,0,0,0,0|3,0,1]=4 509 B14R0.394 CCCCCCCCCOCCN(C)C 7a_100000210712_100000755713 [0,0,0,0,0,0|4,0,0]=4 510 B14R0.394 CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011214924 [0,0,0,0,0,0|3,0,1]=4 511 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,0,0,0,0,0|3,0,0]=3 512 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,0,0,0,0,0|2,0,0]=2 513 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,0,0,0,0,0|2,0,0]=2 514 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,0,0,0,0,0|2,0,1]=3 515 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,0,0,0,0,0|3,0,0]=3 516 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,0,0,0,0,0|3,0,1]=4 517 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,0,0,0,0,0|3,0,1]=4 518 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,0,0,0,0,0|3,0,1]=4 519 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,0,0,0,0,0|3,0,1]=4 520 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,0,0,0,0,0|2,0,0]=2 521 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,0,0,0,0,0|2,0,0]=2 522 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,0,0,0,0,0|2,0,0]=2 523 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_100000229939_100011214892 [0,0,0,0,0,0|3,0,1]=4 524 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_200000737386_100000210759 [0,0,0,0,0,0|3,0,1]=4 525 B14R0.394 CCCCCCCCNCCCC(C)C 34a_100000229939_100011214892 [0,0,0,0,0,0|3,0,1]=4 526 B14R0.394 CCCCCCCCNCCCC(C)C 34a_200000737386_100000210759 [0,0,0,0,0,0|3,0,1]=4 527 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,0,0,0,0,0|2,0,1]=3 528 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,0,0,0,0,0|2,0,1]=3 529 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,0,0,0,0,0|3,0,0]=3 530 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,0,0,0,0,0|3,0,0]=3 531 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,0,0,0,0,0|3,0,0]=3 532 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,0,0,0,0,0|3,0,0]=3 533 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,0,0,0,0,0|3,0,0]=3 534 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,0,0,0,0,0|3,0,0]=3 535 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,0,0,0,0,0|3,0,0]=3 536 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,0,0,0,0,0|3,0,1]=4 537 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,0,0,0,0,0|3,0,1]=4 538 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,0,0,0,0,0|3,0,1]=4 539 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,0,0,0,0,0|3,0,1]=4 540 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,0,0,0,0,0|2,0,0]=2 541 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,0,0,0,0,0|2,0,0]=2 542 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,0,0,0,0,0|2,0,0]=2 543 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,0,0,0,0,0|2,0,0]=2 544 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,0,0,0,0,0|2,0,0]=2 545 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,0,0,0,0,0|2,0,0]=2 546 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210232_100011214892 [0,0,0,0,0,0|3,0,1]=4 547 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210774_100000210759 [0,0,0,0,0,0|3,0,1]=4 548 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210232_100011214892 [0,0,0,0,0,0|3,0,1]=4 549 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210774_100000210759 [0,0,0,0,0,0|3,0,1]=4 550 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,0,0,0,0,0|2,0,1]=3 551 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,0,0,0,0,0|2,0,1]=3 552 B14R0.394 CCCCCCCCOCCCN(C)C 7a_100000210232_100000757444 [0,0,0,0,0,0|4,0,0]=4 553 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,0,0,0,0,0|2,0,1]=3 554 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,0,0,0,0,0|3,0,0]=3 555 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,0,0,0,0,0|3,0,0]=3 556 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,0,0,0,0,0|3,0,0]=3 557 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,0,0,0,0,0|3,0,0]=3 558 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,0,0,0,0,0|3,0,0]=3 559 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,0,0,0,0,0|3,0,0]=3 560 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,0,0,0,0,0|3,0,0]=3 561 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,0,0,0,0,0|3,0,0]=3 562 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,0,0,0,0,0|3,0,0]=3 563 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,0,0,0,0,0|2,0,0]=2 564 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,0,0,0,0,0|2,0,0]=2 565 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,0,0,0,0,0|2,0,0]=2 566 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,0,0,0,0,0|2,0,0]=2 567 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,0,0,0,0,0|2,0,1]=3 568 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,0,0,0,0,0|2,0,1]=3 569 B14R0.394 CCCCCCCCSCCCN(C)C 62a_100000210759_100000757444 [0,0,0,0,0,0|4,0,0]=4 570 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,0,0,0,0,0|3,0,0]=3 571 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,0,0,0,0,0|3,0,0]=3 572 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,0,0,0,0,0|3,0,0]=3 573 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,0,0,0,0,0|3,0,0]=3 574 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,0,0,0,0,0|3,0,0]=3 575 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,0,0,0,0,0|3,0,0]=3 576 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,0,0,0,0,0|3,0,0]=3 577 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,0,0,0,0,0|3,0,0]=3 578 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,0,0,0,0,0|2,0,1]=3 579 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,0,0,0,0,0|2,0,0]=2 580 B14R0.394 CCCCCCCNCCCCC(C)C 2230a_100000229938_100011216152 [0,0,0,0,0,0|3,0,1]=4 581 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,0,0,0,0,0|3,0,0]=3 582 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,0,0,0,0,0|3,1,0]=4 583 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,0,0,0,0,0|3,0,0]=3 584 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,0,0,0,0,0|3,0,0]=3 585 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,0,0,0,0,0|2,0,0]=2 586 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,0,0,0,0,0|2,0,1]=3 587 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,0,0,0,0,0|2,0,1]=3 588 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,0,0,0,0,0|2,0,0]=2 589 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,0,0,0,0,0|2,0,0]=2 590 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,0,0,0,0,0|2,0,0]=2 591 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,0,0,0,0,0|2,0,0]=2 592 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100000210272_100011216152 [0,0,0,0,0,0|3,0,1]=4 593 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100011214890_100000210614 [0,0,0,0,0,0|3,0,1]=4 594 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100000210272_100011216152 [0,0,0,0,0,0|3,0,1]=4 595 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100011214890_100000210614 [0,0,0,0,0,0|3,0,1]=4 596 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,0,0,0,0,0|2,0,1]=3 597 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,0,0,0,0,0|2,0,1]=3 598 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,0,0,0,0,0|3,0,0]=3 599 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,0,0,0,0,0|3,0,0]=3 600 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,0,0,0,0,0|3,0,0]=3 601 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,0,0,0,0,0|3,1,0]=4 602 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,0,0,0,0,0|3,1,0]=4 603 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,0,0,0,0,0|3,0,0]=3 604 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,0,0,0,0,0|3,0,0]=3 605 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,0,0,0,0,0|3,0,0]=3 606 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,0,0,0,0,0|3,0,0]=3 607 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,0,0,0,0,0|2,0,1]=3 608 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,0,0,0,0,0|2,0,1]=3 609 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,0,0,0,0,0|2,0,0]=2 610 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,0,0,0,0,0|2,0,0]=2 611 B14R0.394 CCCCCCCSCCCCN(C)C 62a_100000210614_100000690147 [0,0,0,0,0,0|4,0,0]=4 612 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,0,0,0,0,0|3,0,0]=3 613 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,0,0,0,0,0|3,0,0]=3 614 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,0,0,0,0,0|3,1,0]=4 615 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,0,0,0,0,0|3,1,0]=4 616 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,0,0,0,0,0|3,0,0]=3 617 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,0,0,0,0,0|3,0,0]=3 618 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,0,0,0,0,0|3,0,0]=3 619 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,0,0,0,0,0|3,0,0]=3 620 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,0,0,0,0,0|2,0,1]=3 621 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,0,0,0,0,0|2,0,0]=2 622 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100000210581_100000210682 [0,0,0,0,0,0|3,0,1]=4 623 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100011290863_100000210314 [0,0,0,0,0,0|3,0,1]=4 624 B14R0.394 CCCCCCNCCCCCC(C)C 34a_100011290863_100000210314 [0,0,0,0,0,0|3,0,1]=4 625 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,0,0,0,0,0|3,0,0]=3 626 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,0,0,0,0,0|3,0,0]=3 627 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,0,0,0,0,0|3,0,0]=3 628 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,0,0,0,0,0|2,0,1]=3 629 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,0,0,0,0,0|2,0,1]=3 630 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,0,0,0,0,0|2,0,0]=2 631 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,0,0,0,0,0|2,0,0]=2 632 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,0,0,0,0,0|2,0,0]=2 633 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,0,0,0,0,0|2,0,0]=2 634 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,0,0,0,0,0|1,0,1]=2 635 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100000210259_100000210682 [0,0,0,0,0,0|3,0,1]=4 636 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100011995859_100000210314 [0,0,0,0,0,0|3,0,1]=4 637 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100000210259_100000210682 [0,0,0,0,0,0|3,0,1]=4 638 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100011995859_100000210314 [0,0,0,0,0,0|3,0,1]=4 639 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,0,0,0,0,0|3,0,0]=3 640 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,0,0,0,0,0|3,0,0]=3 641 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,0,0,0,0,0|3,0,0]=3 642 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,0,0,0,0,0|3,0,0]=3 643 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,0,0,0,0,0|3,0,1]=4 644 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,0,0,0,0,0|3,0,1]=4 645 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,0,0,0,0,0|3,0,0]=3 646 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,0,0,0,0,0|3,0,0]=3 647 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,0,0,0,0,0|3,0,0]=3 648 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,0,0,0,0,0|3,0,0]=3 649 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,0,0,0,0,0|3,0,0]=3 650 B14R0.394 CCCCCCOCCOCCC(C)O 34a_100000691444_100012276601 [0,0,0,0,0,0|3,0,1]=4 651 B14R0.394 CCCCCCOCCOCCC(C)O 7a_100000691444_100012276601 [0,0,0,0,0,0|3,0,1]=4 652 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,0,0,0,0,0|4,0,0]=4 653 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,0,0,0,0,0|4,0,0]=4 654 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,0,0,0,0,0|2,0,1]=3 655 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,0,0,0,0,0|2,0,1]=3 656 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,0,0,0,0,0|2,0,0]=2 657 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,0,0,0,0,0|2,0,0]=2 658 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,0,0,0,0,0|3,0,0]=3 659 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,0,0,0,0,0|3,0,0]=3 660 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,0,0,0,0,0|3,0,1]=4 661 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,0,0,0,0,0|3,0,0]=3 662 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,0,0,0,0,0|3,0,0]=3 663 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,0,0,0,0,0|4,0,0]=4 664 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,0,0,0,0,0|4,0,0]=4 665 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,0,0,0,0,0|2,0,1]=3 666 B14R0.394 CCCCCNCCCCCCC(C)C 2230a_100000211014_100000210326 [0,0,0,0,0,0|3,0,1]=4 667 B14R0.394 CCCCCNCCCCCCC(C)C 34a_100000211014_100000718602 [0,0,0,0,0,0|3,0,1]=4 668 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,0,0,0,0,0|3,0,0]=3 669 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,0,0,0,0,0|3,0,0]=3 670 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,0,0,0,0,0|3,0,0]=3 671 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,0,0,0,0,0|3,0,0]=3 672 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,0,0,0,0,0|3,0,0]=3 673 B14R0.394 CCCCCNCCOCCCC(C)O 34a_100000224656_200000718107 [0,0,0,0,0,0|3,0,1]=4 674 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,0,0,0,0,0|4,0,0]=4 675 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,0,0,0,0,0|4,0,0]=4 676 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,0,0,0,0,0|4,0,0]=4 677 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,0,0,0,0,0|2,0,1]=3 678 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,0,0,0,0,0|2,0,1]=3 679 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,0,0,0,0,0|3,0,0]=3 680 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,0,0,0,0,0|3,0,0]=3 681 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,0,0,0,0,0|3,0,0]=3 682 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,0,0,0,0,0|3,0,0]=3 683 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,0,0,0,0,0|3,0,0]=3 684 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,0,0,0,0,0|3,0,0]=3 685 B14R0.394 CCCCCOCCOCCCC(C)O 34a_100011215259_200000718107 [0,0,0,0,0,0|3,0,1]=4 686 B14R0.394 CCCCCOCCOCCCC(C)O 7a_100011215259_200000718107 [0,0,0,0,0,0|3,0,1]=4 687 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,0,0,0,0,0|4,0,0]=4 688 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,0,0,0,0,0|4,0,0]=4 689 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,0,0,0,0,0|4,0,0]=4 690 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,0,0,0,0,0|4,0,0]=4 691 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,0,0,0,0,0|4,0,0]=4 692 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,0,0,0,0,0|4,0,0]=4 693 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,0,0,0,0,0|4,0,0]=4 694 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,0,0,0,0,0|4,0,0]=4 695 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,0,0,0,0,0|2,0,1]=3 696 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,0,0,0,0,0|2,0,1]=3 697 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,0,0,0,0,0|3,0,0]=3 698 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,0,0,0,0,0|3,0,0]=3 699 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,0,0,0,0,0|4,0,0]=4 700 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,0,0,0,0,0|4,0,0]=4 701 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,0,0,0,0,0|3,0,0]=3 702 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,0,0,0,0,0|3,0,0]=3 703 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,0,0,0,0,0|3,0,0]=3 704 B14R0.394 CCCCNCCCCOCCC(C)O 34a_200011216965_100012276601 [0,0,0,0,0,0|3,0,1]=4 705 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,0,0,0,0,0|4,0,0]=4 706 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,0,0,0,0,0|3,0,0]=3 707 B14R0.394 CCCCOCCCCCCCC(C)C 34a_200000210741_100000210210 [0,0,0,0,0,0|3,0,1]=4 708 B14R0.394 CCCCOCCCCCCCC(C)C 7a_200000210741_100000210211 [0,0,0,0,0,0|3,0,1]=4 709 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,0,0,0,0,0|3,0,0]=3 710 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,0,0,0,0,0|3,0,0]=3 711 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,0,0,0,0,0|3,0,0]=3 712 B14R0.394 CCCCOCCCCOCCC(C)O 34a_200000760531_100012276601 [0,0,0,0,0,0|3,0,1]=4 713 B14R0.394 CCCCOCCCCOCCC(C)O 7a_200000760531_100012276601 [0,0,0,0,0,0|3,0,1]=4 714 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,0,0,0,0,0|4,0,0]=4 715 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,0,0,0,0,0|3,0,0]=3 716 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,0,0,0,0,0|3,0,0]=3 717 B14R0.394 CCCCOCCCNCCCC(C)O 2230a_200000211371_200000718107 [0,0,0,0,0,0|3,0,1]=4 718 B14R0.394 CCCCOCCCNCCCC(C)O 34a_200000211371_200000718107 [0,0,0,0,0,0|3,0,1]=4 719 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,0,0,0,0,0|4,0,0]=4 720 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,0,0,0,0,0|4,0,0]=4 721 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,0,0,0,0,0|4,0,0]=4 722 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,0,0,0,0,0|4,0,0]=4 723 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,0,0,0,0,0|3,0,0]=3 724 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,0,0,0,0,0|3,0,0]=3 725 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,0,0,0,0,0|3,0,0]=3 726 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,0,0,0,0,0|3,0,0]=3 727 B14R0.394 CCCCOCCCOCCCC(C)O 34a_200011215613_200000718107 [0,0,0,0,0,0|3,0,1]=4 728 B14R0.394 CCCCOCCCOCCCC(C)O 7a_200011215613_200000718107 [0,0,0,0,0,0|3,0,1]=4 729 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,0,0,0,0,0|4,0,0]=4 730 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,0,0,0,0,0|4,0,0]=4 731 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,0,0,0,0,0|4,0,0]=4 732 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,0,0,0,0,0|4,0,0]=4 733 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,0,0,0,0,0|4,0,0]=4 734 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,0,0,0,0,0|4,0,0]=4 735 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,0,0,0,0,0|3,0,0]=3 736 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,0,0,0,0,0|4,0,0]=4 737 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,0,0,0,0,0|3,0,0]=3 738 B14R0.394 CCCCOCCOCCCCB(O)O 34a_100000210238_200009817182 [0,0,0,0,0,0|3,0,1]=4 739 B14R0.394 CCCCOCCOCCCCB(O)O 7a_100000210238_200009817182 [0,0,0,0,0,0|3,0,1]=4 740 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,0,0,0,0,0|3,0,0]=3 741 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,0,0,0,0,0|3,0,0]=3 742 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,0,0,0,0,0|3,0,0]=3 743 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,0,0,0,0,0|3,0,0]=3 744 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000743108 [0,0,0,0,0,0|3,0,1]=4 745 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100000743108 [0,0,0,0,0,0|3,0,1]=4 746 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,0,0,0,0,0|4,0,0]=4 747 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,0,0,0,0,0|4,0,0]=4 748 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,0,0,0,0,0|4,0,0]=4 749 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,0,0,0,0,0|4,0,0]=4 750 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,0,0,0,0,0|4,0,0]=4 751 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,0,0,0,0,0|4,0,0]=4 752 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,0,0,0,0,0|4,0,0]=4 753 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,0,0,0,0,0|4,0,0]=4 754 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,0,0,0,0,0|4,0,0]=4 755 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,0,0,0,0,0|3,0,1]=4 756 B14R0.394 CCCCOCCSCCCCB(O)O 62a_100000743108_200009817182 [0,0,0,0,0,0|3,0,1]=4 757 B14R0.394 CCCCOCCSCCCCB(O)O 62a_200009817182_100000743108 [0,0,0,0,0,0|3,0,1]=4 758 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,0,0,0,0,0|3,0,0]=3 759 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,0,0,0,0,0|3,0,0]=3 760 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,0,0,0,0,0|4,0,0]=4 761 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,0,0,0,0,0|4,0,0]=4 762 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,0,0,0,0,0|4,0,0]=4 763 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,0,0,0,0,0|4,0,0]=4 764 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,0,0,0,0,0|4,0,0]=4 765 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,0,0,0,0,0|4,0,0]=4 766 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,0,0,0,0,0|4,0,0]=4 767 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,0,0,0,0,0|4,0,0]=4 768 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,0,0,0,0,0|3,0,0]=3 769 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,0,0,0,0,0|4,0,0]=4 770 B14R0.394 CCCCOCSCCCCCB(O)O 62a_100011995733_200009817188 [0,0,0,0,0,0|3,0,1]=4 771 B14R0.394 CCCCOCSCCCCCB(O)O 62a_200009817188_100011995733 [0,0,0,0,0,0|3,0,1]=4 772 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,0,0,0,0,0|3,0,0]=3 773 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,0,0,0,0,0|3,0,0]=3 774 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,0,0,0,0,0|4,0,0]=4 775 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,0,0,0,0,0|4,0,0]=4 776 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,0,0,0,0,0|4,0,0]=4 777 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,0,0,0,0,0|4,0,0]=4 778 B14R0.394 CCCCSCCNCCCCB(O)O 2230a_100025743550_200009817182 [0,0,0,0,0,0|3,0,1]=4 779 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,0,0,0,0,0|4,0,0]=4 780 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,0,0,0,0,0|4,0,0]=4 781 B14R0.394 CCCCSCCOCCCCB(O)O 34a_200000230436_200009817182 [0,0,0,0,0,0|3,0,1]=4 782 B14R0.394 CCCCSCCOCCCCB(O)O 7a_200000230436_200009817182 [0,0,0,0,0,0|3,0,1]=4 783 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,0,0,0,0,0|3,0,0]=3 784 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,0,0,0,0,0|3,0,0]=3 785 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,0,0,0,0,0|4,0,0]=4 786 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,0,0,0,0,0|4,0,0]=4 787 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,0,0,0,0,0|4,0,0]=4 788 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,0,0,0,0,0|4,0,0]=4 789 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,0,0,0,0,0|4,0,0]=4 790 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,0,0,0,0,0|4,0,0]=4 791 B14R0.394 CCCOCCCNCCCCB(O)O 2230a_100011217757_200009817182 [0,0,0,0,0,0|3,0,1]=4 792 B14R0.394 CCCOCCCNCCCCB(O)O 34a_100011217757_200009817182 [0,0,0,0,0,0|3,0,1]=4 793 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,0,0,0,0,0|3,0,0]=3 794 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,0,0,0,0,0|4,0,0]=4 795 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,0,0,0,0,0|4,0,0]=4 796 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,0,0,0,0,0|4,0,0]=4 797 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,0,0,0,0,0|4,0,0]=4 798 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,0,0,0,0,0|4,0,0]=4 799 B14R0.394 CCCOCCNCCCCCB(O)O 2230a_100161115042_200009817188 [0,0,0,0,0,0|3,0,1]=4 800 B14R0.394 CCCOCCNCCCCCB(O)O 34a_100161115042_200009817188 [0,0,0,0,0,0|3,0,1]=4 801 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,0,0,0,0,0|3,0,0]=3 802 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,0,0,0,0,0|3,0,0]=3 803 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,0,0,0,0,0|4,0,0]=4 804 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,0,0,0,0,0|4,0,0]=4 805 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,0,0,0,0,0|4,0,0]=4 806 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,0,0,0,0,0|4,0,0]=4 807 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,0,0,0,0,0|4,0,0]=4 808 B14R0.394 CCCOCCOCCCCCB(O)O 34a_100000752267_200009817188 [0,0,0,0,0,0|3,0,1]=4 809 B14R0.394 CCCOCCOCCCCCB(O)O 7a_100000752267_200009817188 [0,0,0,0,0,0|3,0,1]=4 810 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,0,0,0,0,0|3,0,0]=3 811 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,0,0,0,0,0|3,0,0]=3 812 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,0,0,0,0,0|3,0,0]=3 813 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,0,0,0,0,0|3,0,0]=3 814 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,0,0,0,0,0|2,0,1]=3 815 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,0,0,0,0,0|4,0,0]=4 816 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,0,0,0,0,0|4,0,0]=4 817 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,0,0,0,0,0|4,0,0]=4 818 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,0,0,0,0,0|4,0,0]=4 819 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,0,0,0,0,0|4,0,0]=4 820 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,0,0,0,0,0|4,0,0]=4 821 B14R0.394 CCCOCCOCCNCCC(=O)N 2230a_200011904461_100000744528 [0,0,0,0,0,0|4,0,0]=4 822 B14R0.394 CCCOCCOCCNCCC(=O)N 34a_200011904461_100000731001 [0,0,0,0,0,0|4,0,0]=4 823 B14R0.394 CCCOCCSCCCCCB(O)O 62a_100011215938_200009817188 [0,0,0,0,0,0|3,0,1]=4 824 B14R0.394 CCCOCCSCCCCCB(O)O 62a_200009817188_100011215938 [0,0,0,0,0,0|3,0,1]=4 825 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,0,0,0,0,0|3,0,0]=3 826 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,0,0,0,0,0|3,0,0]=3 827 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,0,0,0,0,0|4,0,0]=4 828 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,0,0,0,0,0|4,0,0]=4 829 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,0,0,0,0,0|4,0,0]=4 830 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,0,0,0,0,0|4,0,0]=4 831 B14R0.394 CCCSCCNCCCCCB(O)O 2230a_100020603323_200009817188 [0,0,0,0,0,0|3,0,1]=4 832 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,0,0,0,0,0|3,0,0]=3 833 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,0,0,0,0,0|4,0,0]=4 834 B14R0.394 CCCSCCOCCCCCB(O)O 34a_200000230433_200009817188 [0,0,0,0,0,0|3,0,1]=4 835 B14R0.394 CCCSCCOCCCCCB(O)O 7a_200000230433_200009817188 [0,0,0,0,0,0|3,0,1]=4 836 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,0,0,0,0,0|3,0,0]=3 837 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,0,0,0,0,0|3,0,0]=3 838 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,0,0,0,0,0|4,0,0]=4 839 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,0,0,0,0,0|4,0,0]=4 840 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,0,0,0,0,0|4,0,0]=4 841 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,0,0,0,0,0|4,0,0]=4 842 B14R0.394 CCOCCCNCCCCCB(O)O 2230a_100000210961_200009817188 [0,0,0,0,0,0|3,0,1]=4 843 B14R0.394 CCOCCCNCCCCCB(O)O 34a_100000210961_200009817188 [0,0,0,0,0,0|3,0,1]=4 844 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,0,0,0,0,0|3,0,0]=3 845 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,0,0,0,0,0|3,0,0]=3 846 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,0,0,0,0,0|4,0,0]=4 847 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,0,0,0,0,0|4,0,0]=4 848 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,0,0,0,0,0|4,0,0]=4 849 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,0,0,0,0,0|4,0,0]=4 850 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,0,0,0,0,0|4,0,0]=4 851 B14R0.394 CCOCCCOCCCCCB(O)O 34a_100000757476_200009817188 [0,0,0,0,0,0|3,0,1]=4 852 B14R0.394 CCOCCCOCCCCCB(O)O 7a_100000757476_200009817188 [0,0,0,0,0,0|3,0,1]=4 853 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,0,0,0,0,0|3,0,0]=3 854 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,0,0,0,0,0|3,0,0]=3 855 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,0,0,0,0,0|3,0,0]=3 856 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,0,0,0,0,0|3,0,0]=3 857 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,0,0,0,0,0|2,0,1]=3 858 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,0,0,0,0,0|4,0,0]=4 859 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,0,0,0,0,0|4,0,0]=4 860 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,0,0,0,0,0|4,0,0]=4 861 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,0,0,0,0,0|4,0,0]=4 862 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,0,0,0,0,0|4,0,0]=4 863 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,0,0,0,0,0|4,0,0]=4 864 B14R0.394 CCOCCCSCCCCCB(O)O 62a_100012232248_200009817188 [0,0,0,0,0,0|3,0,1]=4 865 B14R0.394 CCOCCCSCCCCCB(O)O 62a_200009817188_100012232248 [0,0,0,0,0,0|3,0,1]=4 866 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,0,0,0,0,0|3,0,0]=3 867 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,0,0,0,0,0|3,0,0]=3 868 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,0,0,0,0,0|4,0,0]=4 869 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,0,0,0,0,0|4,0,0]=4 870 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,0,0,0,0,0|4,0,0]=4 871 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,0,0,0,0,0|4,0,0]=4 872 B14R0.394 CCOCCNCCCCCCB(O)O 2230a_102516460346_100009817187 [0,0,0,0,0,0|3,0,1]=4 873 B14R0.394 CCOCCNCCCCCCB(O)O 34a_102516460346_100009817187 [0,0,0,0,0,0|3,0,1]=4 874 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,0,0,0,0,0|4,0,0]=4 875 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,0,0,0,0,0|4,0,0]=4 876 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,0,0,0,0,0|4,0,0]=4 877 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,0,0,0,0,0|4,0,0]=4 878 B14R0.394 CCOCCOCCCCCCB(O)O 34a_100000210136_100009817187 [0,0,0,0,0,0|3,0,1]=4 879 B14R0.394 CCOCCOCCCCCCB(O)O 7a_100000210136_100009817187 [0,0,0,0,0,0|3,0,1]=4 880 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,0,0,0,0,0|4,0,0]=4 881 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,0,0,0,0,0|4,0,0]=4 882 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,0,0,0,0,0|4,0,0]=4 883 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100000739312_100011211534 [0,0,0,0,0,0|4,0,0]=4 884 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100102712874_100102525003 [0,0,0,0,0,0|4,0,0]=4 885 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,0,0,0,0,0|4,0,0]=4 886 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,0,0,0,0,0|4,0,0]=4 887 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,0,0,0,0,0|4,0,0]=4 888 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,0,0,0,0,0|4,0,0]=4 889 B14R0.394 CCOCCOCCOCCCC(=O)N 34a_100000210240_100102525003 [0,0,0,0,0,0|4,0,0]=4 890 B14R0.394 CCOCCOCCOCCCC(=O)N 7a_100000210240_100102525003 [0,0,0,0,0,0|4,0,0]=4 891 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,0,0,0,0,0|4,0,0]=4 892 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,0,0,0,0,0|4,0,0]=4 893 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100011211534_100102525003 [0,0,0,0,0,0|4,0,0]=4 894 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100102525003_100011211534 [0,0,0,0,0,0|4,0,0]=4 895 B14R0.394 CCOCCSCCCCCCB(O)O 62a_100000210147_100009817187 [0,0,0,0,0,0|3,0,1]=4 896 B14R0.394 CCOCCSCCCCCCB(O)O 62a_100009817187_100011215890 [0,0,0,0,0,0|3,0,1]=4 897 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,0,0,0,0,0|4,0,0]=4 898 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,0,0,0,0,0|4,0,0]=4 899 B14R0.394 CCOCNCCOCCOCC(=O)O 269956a_100009854275_100000739092 [0,0,0,0,0,0|4,0,0]=4 900 B14R0.394 CCSCCCOCCCCCB(O)O 34a_100011216438_200009817188 [0,0,0,0,0,0|3,0,1]=4 901 B14R0.394 CCSCCCOCCCCCB(O)O 7a_100011216438_200009817188 [0,0,0,0,0,0|3,0,1]=4 902 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,0,0,0,0,0|3,0,0]=3 903 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,0,0,0,0,0|3,0,0]=3 904 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,0,0,0,0,0|4,0,0]=4 905 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,0,0,0,0,0|4,0,0]=4 906 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,0,0,0,0,0|4,0,0]=4 907 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,0,0,0,0,0|4,0,0]=4 908 B14R0.394 CCSCCNCCCCCCB(O)O 2230a_100000106463_100009817187 [0,0,0,0,0,0|3,0,1]=4 909 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,0,0,0,0,0|4,0,0]=4 910 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,0,0,0,0,0|4,0,0]=4 911 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,0,0,0,0,0|4,0,0]=4 912 B14R0.394 CCSCCOCCCCCCB(O)O 34a_100000212035_100009817187 [0,0,0,0,0,0|3,0,1]=4 913 B14R0.394 CCSCCOCCCCCCB(O)O 7a_100000212035_100009817187 [0,0,0,0,0,0|3,0,1]=4 914 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,0,0,0,0,0|4,0,0]=4 915 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,0,0,0,0,0|4,0,0]=4 916 B14R0.394 CCSCCSCCCCCCB(O)O 62a_100000757381_100009817187 [0,0,0,0,0,0|3,0,1]=4 917 B14R0.394 CCSCCSCCCCCCB(O)O 62a_100009817187_100000757381 [0,0,0,0,0,0|3,0,1]=4 918 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,0,0,0,0,0|4,0,0]=4 919 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,0,0,0,0,0|4,0,0]=4 920 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,0,0,0,0,0|4,0,0]=4 921 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,0,0,0,0,0|4,0,0]=4 922 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,0,0,0,0,0|2,0,0]=2 923 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,0,0,0,0,0|2,0,0]=2 924 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,0,0,0,0,0|2,0,0]=2 925 B14R0.394 CNCCCCCOCCCCB(O)O 34a_100000722520_200009817182 [0,0,0,0,0,0|3,0,1]=4 926 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,0,0,0,0,0|3,0,0]=3 927 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,0,0,0,0,0|4,0,0]=4 928 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,0,0,0,0,0|4,0,0]=4 929 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,0,0,0,0,0|4,0,0]=4 930 B14R0.394 CNCCCOCCCCCCB(O)O 34a_100000213112_100009817187 [0,0,0,0,0,0|3,0,1]=4 931 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,0,0,0,0,0|4,0,0]=4 932 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,0,0,0,0,0|4,0,0]=4 933 B14R0.394 CNCCOCCOCCOCC(=O)O 269956a_100010423269_200000210301 [0,0,0,0,0,0|4,0,0]=4 934 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,0,0,0,0,0|2,0,0]=2 935 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,0,0,0,0,0|3,0,0]=3 936 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,0,0,0,0,0|4,0,0]=4 937 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,0,0,0,0,0|4,0,0]=4 938 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,0,0,0,0,0|4,0,0]=4 939 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,0,0,0,0,0|3,0,0]=3 940 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,0,0,0,0,0|3,0,0]=3 941 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,0,0,0,0,0|3,0,0]=3 942 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,0,0,0,0,0|3,0,0]=3 943 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,0,0,0,0,0|3,0,0]=3 944 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,0,0,0,0,0|3,0,0]=3 945 B14R0.394 COCCCCCCOCCCC(C)O 34a_200012092642_200000718107 [0,0,0,0,0,0|3,0,1]=4 946 B14R0.394 COCCCCCCOCCCC(C)O 7a_200012092642_200000718107 [0,0,0,0,0,0|3,0,1]=4 947 B14R0.394 COCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011998445 [0,0,0,0,0,0|3,0,1]=4 948 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,0,0,0,0,0|4,0,0]=4 949 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,0,0,0,0,0|4,0,0]=4 950 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,0,0,0,0,0|4,0,0]=4 951 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,0,0,0,0,0|4,0,0]=4 952 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,0,0,0,0,0|4,0,0]=4 953 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,0,0,0,0,0|4,0,0]=4 954 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,0,0,0,0,0|4,0,0]=4 955 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,0,0,0,0,0|4,0,0]=4 956 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,0,0,0,0,0|4,0,0]=4 957 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,0,0,0,0,0|3,0,0]=3 958 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,0,0,0,0,0|3,0,0]=3 959 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,0,0,0,0,0|3,0,0]=3 960 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,0,0,0,0,0|3,0,0]=3 961 B14R0.394 COCCCCCCSCCCC(C)O 62a_100011998445_200000718107 [0,0,0,0,0,0|3,0,1]=4 962 B14R0.394 COCCCCCCSCCCC(C)O 62a_200000718107_100011998445 [0,0,0,0,0,0|3,0,1]=4 963 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,0,0,0,0,0|4,0,0]=4 964 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,0,0,0,0,0|4,0,0]=4 965 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,0,0,0,0,0|4,0,0]=4 966 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,0,0,0,0,0|4,0,0]=4 967 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,0,0,0,0,0|4,0,0]=4 968 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,0,0,0,0,0|4,0,0]=4 969 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,0,0,0,0,0|4,0,0]=4 970 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,0,0,0,0,0|4,0,0]=4 971 B14R0.394 COCCCCCNCCCCB(O)O 2230a_100000747528_200009817182 [0,0,0,0,0,0|3,0,1]=4 972 B14R0.394 COCCCCCNCCCCB(O)O 34a_100000747528_200009817182 [0,0,0,0,0,0|3,0,1]=4 973 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,0,0,0,0,0|3,0,0]=3 974 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,0,0,0,0,0|4,0,0]=4 975 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,0,0,0,0,0|4,0,0]=4 976 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,0,0,0,0,0|4,0,0]=4 977 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,0,0,0,0,0|4,0,0]=4 978 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,0,0,0,0,0|4,0,0]=4 979 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,0,0,0,0,0|4,0,0]=4 980 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,0,0,0,0,0|4,0,0]=4 981 B14R0.394 COCCCCOCCCCCB(O)O 34a_100000740925_200009817188 [0,0,0,0,0,0|3,0,1]=4 982 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,0,0,0,0,0|3,0,0]=3 983 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,0,0,0,0,0|3,0,0]=3 984 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,0,0,0,0,0|3,0,0]=3 985 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,0,0,0,0,0|2,0,1]=3 986 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,0,0,0,0,0|4,0,0]=4 987 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,0,0,0,0,0|4,0,0]=4 988 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,0,0,0,0,0|4,0,0]=4 989 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,0,0,0,0,0|4,0,0]=4 990 B14R0.394 COCCCCSCCCCCB(O)O 62a_100000730899_200009817188 [0,0,0,0,0,0|3,0,1]=4 991 B14R0.394 COCCCCSCCCCCB(O)O 62a_200009817188_100000730899 [0,0,0,0,0,0|3,0,1]=4 992 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,0,0,0,0,0|3,0,0]=3 993 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,0,0,0,0,0|3,0,0]=3 994 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,0,0,0,0,0|4,0,0]=4 995 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,0,0,0,0,0|4,0,0]=4 996 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,0,0,0,0,0|4,0,0]=4 997 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,0,0,0,0,0|4,0,0]=4 998 B14R0.394 COCCCNCCCCCCB(O)O 34a_100150723488_100009817187 [0,0,0,0,0,0|3,0,1]=4 999 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,0,0,0,0,0|4,0,0]=4 1000 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,0,0,0,0,0|4,0,0]=4 1001 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,0,0,0,0,0|4,0,0]=4 1002 B14R0.394 COCCCOCCCCCCB(O)O 34a_100000740835_100009817187 [0,0,0,0,0,0|3,0,1]=4 1003 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,0,0,0,0,0|4,0,0]=4 1004 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,0,0,0,0,0|4,0,0]=4 1005 B14R0.394 COCCCOCCCOCCC(=O)N 34a_200011215475_100000731001 [0,0,0,0,0,0|4,0,0]=4 1006 B14R0.394 COCCCOCCCOCCC(=O)N 7a_200011215475_100000744528 [0,0,0,0,0,0|4,0,0]=4 1007 B14R0.394 COCCCSCCCCCCB(O)O 62a_100000709357_100009817187 [0,0,0,0,0,0|3,0,1]=4 1008 B14R0.394 COCCCSCCCCCCB(O)O 62a_100009817187_100000709357 [0,0,0,0,0,0|3,0,1]=4 1009 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,0,0,0,0,0|4,0,0]=4 1010 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,0,0,0,0,0|4,0,0]=4 1011 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,0,0,0,0,0|4,0,0]=4 1012 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,0,0,0,0,0|4,0,0]=4 1013 B14R0.394 COCCNCCOCCOCC(=O)O 269956a_100009854275_100000233755 [0,0,0,0,0,0|4,0,0]=4 1014 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,0,0,0,0,0|4,0,0]=4 1015 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000206027_100102525003 [0,0,0,0,0,0|4,0,0]=4 1016 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000739312_100011216529 [0,0,0,0,0,0|4,0,0]=4 1017 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,0,0,0,0,0|4,0,0]=4 1018 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,0,0,0,0,0|4,0,0]=4 1019 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,0,0,0,0,0|4,0,0]=4 1020 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,0,0,0,0,0|4,0,0]=4 1021 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100011216529_100102525003 [0,0,0,0,0,0|4,0,0]=4 1022 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100102525003_100011216529 [0,0,0,0,0,0|4,0,0]=4 1023 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,0,0,0,0,0|4,0,0]=4 1024 B14R0.394 COCCOCCNCCCCC(=O)N 34a_100000696515_100000695917 [0,0,0,0,0,0|4,0,0]=4 1025 B14R0.394 COCCOCCNCCOCC(=O)O 269956a_100000700818_100000695917 [0,0,0,0,0,0|4,0,0]=4 1026 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,0,0,0,0,0|4,0,0]=4 1027 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,0,0,0,0,0|4,0,0]=4 1028 B14R0.394 COCCOCCOCCCCC(=O)N 34a_100012022536_100000695917 [0,0,0,0,0,0|4,0,0]=4 1029 B14R0.394 COCCOCCOCCCCC(=O)N 7a_100012022536_100000695917 [0,0,0,0,0,0|4,0,0]=4 1030 B14R0.394 COCCOCCOCCNCC(=O)O 269956a_100016091260_100013367474 [0,0,0,0,0,0|4,0,0]=4 1031 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,0,0,0,0,0|4,0,0]=4 1032 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,0,0,0,0,0|4,0,0]=4 1033 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100000231047_100009817443 [0,0,0,0,0,0|4,0,0]=4 1034 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100009817443_100000231047 [0,0,0,0,0,0|4,0,0]=4 1035 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,0,0,0,0,0|4,0,0]=4 1036 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,0,0,0,0,0|2,0,0]=2 1037 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,0,0,0,0,0|2,0,0]=2 1038 B14R0.394 CSCCCCOCCCCCB(O)O 34a_100011217163_200009817188 [0,0,0,0,0,0|3,0,1]=4 1039 B14R0.394 CSCCCCOCCCCCB(O)O 7a_100011217163_200009817188 [0,0,0,0,0,0|3,0,1]=4 1040 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,0,0,0,0,0|3,0,0]=3 1041 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,0,0,0,0,0|3,0,0]=3 1042 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,0,0,0,0,0|4,0,0]=4 1043 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,0,0,0,0,0|4,0,0]=4 1044 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,0,0,0,0,0|4,0,0]=4 1045 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,0,0,0,0,0|4,0,0]=4 1046 B14R0.394 CSCCCNCCCCCCB(O)O 2230a_100000749238_100009817187 [0,0,0,0,0,0|3,0,1]=4 1047 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,0,0,0,0,0|4,0,0]=4 1048 B14R0.394 CSCCCOCCCCCCB(O)O 34a_100000690336_100009817187 [0,0,0,0,0,0|3,0,1]=4 1049 B14R0.394 CSCCCOCCCCCCB(O)O 7a_100000690336_100009817187 [0,0,0,0,0,0|3,0,1]=4 1050 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,0,0,0,0,0|4,0,0]=4 1051 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,0,0,0,0,0|4,0,0]=4 1052 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,0,0,0,0,0|4,0,0]=4 1053 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,0,0,0,0,0|4,0,0]=4 1054 B14R0.394 CSCCNCCOCCOCC(=O)O 269956a_100009854275_100000212216 [0,0,0,0,0,0|4,0,0]=4 1055 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 1056 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 1057 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,0,0,0,0,0|3,0,1]=4 1058 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,0,0,0,0,0|3,0,1]=4 1059 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,0,0,0,0,0|3,0,1]=4 1060 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,0,0,0,0,0|3,0,1]=4 1061 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 1062 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,0,0,0,0,0|3,0,1]=4 1063 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,0,0,0,0,0|3,0,1]=4 1064 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,0,0,0,0,0|3,0,1]=4 1065 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,0,0,0,0,0|3,0,1]=4 1066 B14R0.394 N#CCCCCCNCCOCC(=O)O 269956a_100000700818_100009813376 [0,0,0,0,0,0|3,0,1]=4 1067 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,0,0,0,0,0|3,0,1]=4 1068 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,0,0,0,0,0|3,0,1]=4 1069 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,0,0,0,0,0|2,0,2]=4 1070 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,0,0,0,0,0|3,0,1]=4 1071 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,0,0,0,0,0|3,0,1]=4 1072 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 1073 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 1074 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 1075 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 1076 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,0,0,0,0,0|4,0,0]=4 1077 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,0,0,0,0,0|3,0,1]=4 1078 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,0,0,0,0,0|3,0,0]=3 1079 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,0,0,0,0,0|3,0,0]=3 1080 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,0,0,0,0,0|3,0,0]=3 1081 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,0,0,0,0,0|3,0,0]=3 1082 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,0,0,0,0,0|3,0,0]=3 1083 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,0,0,0,0,0|3,0,0]=3 1084 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,0,0,0,0,0|3,0,0]=3 1085 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,0,0,0,0,0|3,0,0]=3 1086 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,0,0,0,0,0|3,0,0]=3 1087 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,0,0,0,0,0|3,0,0]=3 1088 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,0,0,0,0,0|4,0,0]=4 1089 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,0,0,0,0,0|4,0,0]=4 1090 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,0,0,0,0,0|4,0,0]=4 1091 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,0,0,0,0,0|4,0,0]=4 1092 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,0,0,0,0,0|4,0,0]=4 1093 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,0,0,0,0,0|4,0,0]=4 1094 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,0,0,0,0,0|4,0,0]=4 1095 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,0,0,0,0,0|4,0,0]=4 1096 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,0,0,0,0,0|4,0,0]=4 1097 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,0,0,0,0,0|4,0,0]=4 1098 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,0,0,0,0,0|3,0,1]=4 1099 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,0,0,0,0,0|3,0,1]=4 1100 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,0,0,0,0,0|3,0,0]=3 1101 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,0,0,0,0,0|3,0,0]=3 1102 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,0,0,0,0,0|3,0,0]=3 1103 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,0,0,0,0,0|3,0,0]=3 1104 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,0,0,0,0,0|4,0,0]=4 1105 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,0,0,0,0,0|4,0,0]=4 1106 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,0,0,0,0,0|3,0,0]=3 1107 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,0,0,0,0,0|3,0,0]=3 1108 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,0,0,0,0,0|3,0,1]=4 1109 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,0,0,0,0,0|3,0,0]=3 1110 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,0,0,0,0,0|3,0,0]=3 1111 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,0,0,0,0,0|3,0,0]=3 1112 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,0,0,0,0,0|3,0,0]=3 1113 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,0,0,0,0,0|3,0,0]=3 1114 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,0,0,0,0,0|3,0,0]=3 1115 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,0,0,0,0,0|4,0,0]=4 1116 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,0,0,0,0,0|3,0,0]=3 1117 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,0,0,0,0,0|3,0,0]=3 1118 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,0,0,0,0,0|3,0,0]=3 1119 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,0,0,0,0,0|3,0,0]=3 1120 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,0,0,0,0,0|3,0,0]=3 1121 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,0,0,0,0,0|3,0,0]=3 1122 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,0,0,0,0,0|3,0,0]=3 1123 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,0,0,0,0,0|3,0,0]=3 1124 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,0,0,0,0,0|3,0,0]=3 1125 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,0,0,0,0,0|3,0,0]=3 1126 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,0,0,0,0,0|3,0,0]=3 1127 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,0,0,0,0,0|3,0,0]=3 1128 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,0,0,0,0,0|3,0,0]=3 1129 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,0,0,0,0,0|3,0,0]=3 1130 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,0,0,0,0,0|3,0,0]=3 1131 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,0,0,0,0,0|3,0,0]=3 1132 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,0,0,0,0,0|3,0,0]=3 1133 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,0,0,0,0,0|3,0,0]=3 1134 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,0,0,0,0,0|3,0,0]=3 1135 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,0,0,0,0,0|3,0,0]=3 1136 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,0,0,0,0,0|3,0,0]=3 1137 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 1138 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 1139 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,0,0,0,0,0|4,0,0]=4 1140 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,0,0,0,0,0|4,0,0]=4 1141 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,0,0,0,0,0|4,0,0]=4 1142 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,0,0,0,0,0|4,0,0]=4 1143 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,0,0,0,0,0|4,0,0]=4 1144 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,0,0,0,0,0|4,0,0]=4 1145 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,0,0,0,0,0|4,0,0]=4 1146 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,0,0,0,0,0|4,0,0]=4 1147 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,0,0,0,0,0|4,0,0]=4 1148 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,0,0,0,0,0|4,0,0]=4 1149 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,0,0,0,0,0|3,0,0]=3 1150 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,0,0,0,0,0|3,0,0]=3 1151 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,0,0,0,0,0|4,0,0]=4 1152 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,0,0,0,0,0|4,0,0]=4 1153 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,0,0,0,0,0|4,0,0]=4 1154 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,0,0,0,0,0|4,0,0]=4 1155 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,0,0,0,0,0|4,0,0]=4 1156 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,0,0,0,0,0|4,0,0]=4 1157 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,0,0,0,0,0|4,0,0]=4 1158 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,0,0,0,0,0|4,0,0]=4 1159 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,0,0,0,0,0|4,0,0]=4 1160 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,0,0,0,0,0|4,0,0]=4 1161 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,0,0,0,0,0|4,0,0]=4 1162 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,0,0,0,0,0|4,0,0]=4 1163 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,0,0,0,0,0|3,0,0]=3 1164 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,0,0,0,0,0|2,0,1]=3 1165 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,0,0,0,0,0|3,0,1]=4 1166 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,0,0,0,0,0|3,0,0]=3 1167 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,0,0,0,0,0|3,0,0]=3 1168 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,0,0,0,0,0|4,0,0]=4 1169 B14R0.394 NCCCCCCOCCCCB(O)O 34a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 1170 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 1171 B14R0.394 NCCCCCOCCCCCB(O)O 34a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 1172 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 1173 B14R0.394 NCCCCOCCCCCCB(O)O 34a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 1174 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,0,0,0,0,0|4,0,0]=4 1175 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,0,0,0,0,0|4,0,0]=4 1176 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 1177 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,0,0,0,0,0|2,0,0]=2 1178 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,0,0,0,0,0|3,0,0]=3 1179 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,0,0,0,0,0|3,0,0]=3 1180 B14R0.394 O=C(O)COCCOCCNCCCF 269956a_100009854275_100011934791 [0,0,0,0,0,0|4,0,0]=4 1181 B14R0.394 O=C(O)COCCOCCNCCCO 269956a_100009854275_100011215043 [0,0,0,0,0,0|4,0,0]=4 1182 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,0,0,0,0,0|3,0,0]=3 1183 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,0,0,0,0,0|2,0,1]=3 1184 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,0,0,0,0,0|2,0,1]=3 1185 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,0,0,0,0,0|3,0,1]=4 1186 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,0,0,0,0,0|2,0,1]=3 1187 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,0,0,0,0,0|2,0,1]=3 1188 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,0,0,0,0,0|2,0,1]=3 1189 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,0,0,0,0,0|2,0,1]=3 1190 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,0,0,0,0,0|2,0,1]=3 1191 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [0,0,0,0,0,0|3,0,1]=4 1192 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,0,0,0,0,0|2,0,2]=4 1193 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,0,0,0,0,0|3,0,1]=4 1194 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,0,0,0,0,0|3,0,1]=4 1195 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,0,0,0,0,0|3,0,1]=4 1196 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,0,0,0,0,0|3,0,1]=4 1197 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,0,0,0,0,0|3,0,1]=4 1198 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,0,0,0,0,0|3,0,1]=4 1199 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,0,0,0,0,0|3,0,1]=4 1200 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,0,0,0,0,0|3,0,1]=4 1201 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,0,0,0,0,0|3,0,1]=4 1202 B14R0.394 OB(O)CCCCCCOCCCCBr 34a_100011216708_100009817187 [0,0,0,0,0,0|3,0,1]=4 1203 B14R0.394 OB(O)CCCCCCOCCCCCl 34a_100000210776_100009817187 [0,0,0,0,0,0|3,0,1]=4 1204 B14R0.394 OB(O)CCCCCCOCCCCCl 7a_100000210776_100009817187 [0,0,0,0,0,0|3,0,1]=4 1205 B14R0.394 OB(O)CCCCCCOCCCCF 34a_100011995726_100009817187 [0,0,0,0,0,0|3,0,1]=4 1206 B14R0.394 OB(O)CCCCCCOCCCCF 7a_100011995726_100009817187 [0,0,0,0,0,0|3,0,1]=4 1207 B14R0.394 OB(O)CCCCCCOCCCCI 34a_200012148704_100009817187 [0,0,0,0,0,0|3,0,1]=4 1208 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100000729493_100009817187 [0,0,0,0,0,0|3,0,1]=4 1209 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100009817187_100000729493 [0,0,0,0,0,0|3,0,1]=4 1210 B14R0.394 OB(O)CCCCCOCCCCCBr 34a_100000746331_200009817188 [0,0,0,0,0,0|3,0,1]=4 1211 B14R0.394 OB(O)CCCCCOCCCCCBr 7a_100000746331_200009817188 [0,0,0,0,0,0|3,0,1]=4 1212 B14R0.394 OB(O)CCCCCOCCCCCCl 34a_100000746330_200009817188 [0,0,0,0,0,0|3,0,1]=4 1213 B14R0.394 OB(O)CCCCCOCCCCCCl 7a_100000746330_200009817188 [0,0,0,0,0,0|3,0,1]=4 1214 B14R0.394 OB(O)CCCCCOCCCCCI 34a_200012148887_200009817188 [0,0,0,0,0,0|3,0,1]=4 1215 B14R0.394 OB(O)CCCCCOCCCCCI 7a_200012148887_200009817188 [0,0,0,0,0,0|3,0,1]=4 1216 B14R0.394 OB(O)CCCCCSCCCCCF 62a_100000729378_200009817188 [0,0,0,0,0,0|3,0,1]=4 1217 B14R0.394 OB(O)CCCCCSCCCCCF 62a_200009817188_100000729378 [0,0,0,0,0,0|3,0,1]=4 1218 B14R0.394 OB(O)CCCCOCCCCCCBr 34a_100011215345_200009817182 [0,0,0,0,0,0|3,0,1]=4 1219 B14R0.394 OB(O)CCCCOCCCCCCBr 7a_100011215345_200009817182 [0,0,0,0,0,0|3,0,1]=4 1220 B14R0.394 OB(O)CCCCOCCCCCCCl 34a_100000766143_200009817182 [0,0,0,0,0,0|3,0,1]=4 1221 B14R0.394 OB(O)CCCCOCCCCCCCl 7a_100000766143_200009817182 [0,0,0,0,0,0|3,0,1]=4 1222 B14R0.394 OB(O)CCCCOCCCCCCF 34a_100000732779_200009817182 [0,0,0,0,0,0|3,0,1]=4 1223 B14R0.394 OB(O)CCCCOCCCCCCF 7a_100000732779_200009817182 [0,0,0,0,0,0|3,0,1]=4 1224 B14R0.394 OB(O)CCCCSCCCCCCF 62a_100015922095_200009817182 [0,0,0,0,0,0|3,0,1]=4 1225 B14R0.394 OB(O)CCCCSCCCCCCF 62a_200009817182_100015922095 [0,0,0,0,0,0|3,0,1]=4 1226 B14R0.394 OCCCCCCNCCCCB(O)O 2230a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 1227 B14R0.394 OCCCCCCNCCCCB(O)O 34a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 1228 B14R0.394 OCCCCCCSCCCCB(O)O 62a_100000766143_200009817182 [0,0,0,0,0,0|3,0,1]=4 1229 B14R0.394 OCCCCCCSCCCCB(O)O 62a_200009817182_100000766143 [0,0,0,0,0,0|3,0,1]=4 1230 B14R0.394 OCCCCCNCCCCCB(O)O 2230a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 1231 B14R0.394 OCCCCCNCCCCCB(O)O 34a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 1232 B14R0.394 OCCCCCSCCCCCB(O)O 62a_100000746330_200009817188 [0,0,0,0,0,0|3,0,1]=4 1233 B14R0.394 OCCCCCSCCCCCB(O)O 62a_200009817188_100000746330 [0,0,0,0,0,0|3,0,1]=4 1234 B14R0.394 OCCCCNCCCCCCB(O)O 2230a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 1235 B14R0.394 OCCCCNCCCCCCB(O)O 34a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 1236 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100000210776_100009817187 [0,0,0,0,0,0|3,0,1]=4 1237 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100009817187_100000210776 [0,0,0,0,0,0|3,0,1]=4 1238 B14R0.394 [13CH3]NCCOCCOCCOCC(=O)O 269956a_100010423269_200025704644 [0,0,0,0,0,0|4,0,0]=4 1239 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,0,0,0,0,0|2,0,0]=2 1240 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,0,0,0,0,0|2,0,0]=2 1241 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [1,0,0,0,0,0|1,0,2]=4 1242 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [1,0,0,0,0,0|3,0,0]=4 1243 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 1244 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 1245 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 1246 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [1,0,0,0,0,0|3,0,0]=4 1247 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 1248 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 1249 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 1250 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [1,0,0,0,0,0|3,0,0]=4 1251 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 1252 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 1253 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 1254 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 1255 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [1,0,0,0,0,0|3,0,0]=4 1256 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [1,0,0,0,0,0|3,0,0]=4 1257 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [1,0,0,0,0,0|3,0,0]=4 1258 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [1,0,0,0,0,0|3,0,0]=4 1259 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,0,0,0,0,0|1,0,2]=4 1260 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [1,0,0,0,0,0|1,0,2]=4 1261 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [1,0,0,0,0,0|2,0,0]=3 1262 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 1263 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [1,0,0,0,0,0|3,0,0]=4 1264 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [1,0,0,0,0,0|3,0,0]=4 1265 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [1,0,0,0,0,0|3,0,0]=4 1266 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [1,0,0,0,0,0|3,0,0]=4 1267 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [1,0,0,0,0,0|3,0,0]=4 1268 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [1,0,0,0,0,0|3,0,0]=4 1269 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 1270 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [1,0,0,0,0,0|3,0,0]=4 1271 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [1,0,0,0,0,0|3,0,0]=4 1272 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [1,0,0,0,0,0|3,0,0]=4 1273 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [1,0,0,0,0,0|3,0,0]=4 1274 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 1275 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [1,0,0,0,0,0|3,0,0]=4 1276 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [1,0,0,0,0,0|3,0,0]=4 1277 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [1,0,0,0,0,0|3,0,0]=4 1278 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [1,0,0,0,0,0|3,0,0]=4 1279 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [1,0,0,0,0,0|3,0,0]=4 1280 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [1,0,0,0,0,0|3,0,0]=4 1281 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [1,0,0,0,0,0|3,0,0]=4 1282 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [1,0,0,0,0,0|3,0,0]=4 1283 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 1284 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [1,0,0,0,0,0|3,0,0]=4 1285 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [1,0,0,0,0,0|3,0,0]=4 1286 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [1,0,0,0,0,0|3,0,0]=4 1287 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [1,0,0,0,0,0|3,0,0]=4 1288 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [1,0,0,0,0,0|3,0,0]=4 1289 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [1,0,0,0,0,0|3,0,0]=4 1290 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [1,0,0,0,0,0|3,0,0]=4 1291 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [1,0,0,0,0,0|3,0,0]=4 1292 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [1,0,0,0,0,0|3,0,0]=4 1293 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [1,0,0,0,0,0|3,0,0]=4 1294 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [1,0,0,0,0,0|3,0,0]=4 1295 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [1,0,0,0,0,0|3,0,0]=4 1296 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [1,0,0,0,0,0|3,0,0]=4 1297 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [1,0,0,0,0,0|1,0,2]=4 1298 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [1,0,0,0,0,0|1,0,2]=4 1299 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [1,0,0,0,0,0|1,0,2]=4 1300 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [1,0,0,0,0,0|1,0,0]=2 1301 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [1,0,0,0,0,0|1,0,0]=2 1302 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [1,0,0,0,0,0|1,0,0]=2 1303 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 1304 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 1305 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 1306 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 1307 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 1308 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [1,0,0,0,0,0|2,0,0]=3 1309 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [1,0,0,0,0,0|2,0,0]=3 1310 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [1,0,0,0,0,0|2,0,0]=3 1311 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [1,0,0,0,0,0|2,0,0]=3 1312 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [1,0,0,0,0,0|1,0,0]=2 1313 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [1,0,0,0,0,0|1,0,1]=3 1314 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 1315 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 1316 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 1317 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 1318 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 1319 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 1320 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [1,0,0,0,0,0|2,0,1]=4 1321 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [1,0,0,0,0,0|2,0,0]=3 1322 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 1323 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 1324 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [1,0,0,0,0,0|1,0,1]=3 1325 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 1326 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 1327 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 1328 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 1329 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [1,0,0,0,0,0|2,0,1]=4 1330 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [1,0,0,0,0,0|2,0,0]=3 1331 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [1,0,0,0,0,0|1,0,1]=3 1332 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,0,0,0,0,0|2,0,1]=4 1333 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,0,0,0,0,0|2,0,1]=4 1334 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [1,0,0,0,0,0|2,0,0]=3 1335 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [1,0,0,0,0,0|2,0,0]=3 1336 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 1337 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [1,0,0,0,0,0|2,0,1]=4 1338 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 1339 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [1,0,0,0,0,0|3,0,0]=4 1340 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [1,0,0,0,0,0|2,0,0]=3 1341 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 1342 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [1,0,0,0,0,0|2,0,0]=3 1343 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 1344 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [1,0,0,0,0,0|2,0,0]=3 1345 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 1346 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [1,0,0,0,0,0|2,0,0]=3 1347 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 1348 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 1349 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 1350 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [1,0,0,0,0,0|3,0,0]=4 1351 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [1,0,0,0,0,0|2,0,0]=3 1352 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [1,0,0,0,0,0|2,0,0]=3 1353 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [1,0,0,0,0,0|2,0,0]=3 1354 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [1,0,0,0,0,0|2,0,0]=3 1355 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [1,0,0,0,0,0|2,0,1]=4 1356 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [1,0,0,0,0,0|2,0,1]=4 1357 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [1,0,0,0,0,0|3,0,0]=4 1358 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [1,0,0,0,0,0|3,0,0]=4 1359 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [1,0,0,0,0,0|2,0,0]=3 1360 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [1,0,0,0,0,0|2,0,1]=4 1361 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [1,0,0,0,0,0|3,0,0]=4 1362 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [1,0,0,0,0,0|3,0,0]=4 1363 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [1,0,0,0,0,0|3,0,0]=4 1364 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [1,0,0,0,0,0|3,0,0]=4 1365 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [1,0,0,0,0,0|3,0,0]=4 1366 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [1,0,0,0,0,0|2,0,0]=3 1367 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 1368 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [1,0,0,0,0,0|2,0,0]=3 1369 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 1370 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1371 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1372 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 1373 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 1374 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [1,0,0,0,0,0|2,0,1]=4 1375 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [1,0,0,0,0,0|3,0,0]=4 1376 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [1,0,0,0,0,0|3,0,0]=4 1377 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [1,0,0,0,0,0|3,0,0]=4 1378 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [1,0,0,0,0,0|3,0,0]=4 1379 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 1380 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 1381 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1382 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1383 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [1,0,0,0,0,0|3,0,0]=4 1384 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [1,0,0,0,0,0|2,0,0]=3 1385 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [1,0,0,0,0,0|2,0,0]=3 1386 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [1,0,0,0,0,0|2,0,0]=3 1387 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [1,0,0,0,0,0|2,0,0]=3 1388 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [1,0,0,0,0,0|2,0,1]=4 1389 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [1,0,0,0,0,0|2,0,1]=4 1390 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [1,0,0,0,0,0|3,0,0]=4 1391 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [1,0,0,0,0,0|3,0,0]=4 1392 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [1,0,0,0,0,0|3,0,0]=4 1393 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [1,0,0,0,0,0|3,0,0]=4 1394 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [1,0,0,0,0,0|3,0,0]=4 1395 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [1,0,0,0,0,0|3,0,0]=4 1396 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [1,0,0,0,0,0|3,0,0]=4 1397 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [1,0,0,0,0,0|3,0,0]=4 1398 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [1,0,0,0,0,0|2,0,1]=4 1399 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [1,0,0,0,0,0|2,0,0]=3 1400 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [1,0,0,0,0,0|3,0,0]=4 1401 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [1,0,0,0,0,0|3,0,0]=4 1402 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [1,0,0,0,0,0|3,0,0]=4 1403 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [1,0,0,0,0,0|2,0,0]=3 1404 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 1405 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 1406 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [1,0,0,0,0,0|2,0,0]=3 1407 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [1,0,0,0,0,0|2,0,0]=3 1408 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 1409 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 1410 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 1411 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 1412 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [1,0,0,0,0,0|3,0,0]=4 1413 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 1414 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 1415 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 1416 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 1417 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 1418 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 1419 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 1420 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 1421 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [1,0,0,0,0,0|2,0,1]=4 1422 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [1,0,0,0,0,0|2,0,1]=4 1423 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [1,0,0,0,0,0|2,0,1]=4 1424 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [1,0,0,0,0,0|2,0,0]=3 1425 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [1,0,0,0,0,0|2,0,0]=3 1426 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [1,0,0,0,0,0|3,0,0]=4 1427 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [1,0,0,0,0,0|3,0,0]=4 1428 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [1,0,0,0,0,0|3,0,0]=4 1429 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [1,0,0,0,0,0|3,0,0]=4 1430 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [1,0,0,0,0,0|3,0,0]=4 1431 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [1,0,0,0,0,0|3,0,0]=4 1432 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [1,0,0,0,0,0|2,0,1]=4 1433 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [1,0,0,0,0,0|2,0,0]=3 1434 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [1,0,0,0,0,0|3,0,0]=4 1435 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [1,0,0,0,0,0|3,0,0]=4 1436 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [1,0,0,0,0,0|3,0,0]=4 1437 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [1,0,0,0,0,0|3,0,0]=4 1438 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1439 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1440 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [1,0,0,0,0,0|2,0,0]=3 1441 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1442 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [1,0,0,0,0,0|2,0,0]=3 1443 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1444 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [1,0,0,0,0,0|1,0,1]=3 1445 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [1,0,0,0,0,0|3,0,0]=4 1446 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 1447 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [1,0,0,0,0,0|3,0,0]=4 1448 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 1449 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 1450 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 1451 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [1,0,0,0,0,0|3,0,0]=4 1452 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [1,0,0,0,0,0|3,0,0]=4 1453 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [1,0,0,0,0,0|3,0,0]=4 1454 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [1,0,0,0,0,0|2,0,1]=4 1455 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [1,0,0,0,0,0|2,0,1]=4 1456 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [1,0,0,0,0,0|2,0,0]=3 1457 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [1,0,0,0,0,0|2,0,0]=3 1458 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [1,0,0,0,0,0|3,0,0]=4 1459 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [1,0,0,0,0,0|3,0,0]=4 1460 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [1,0,0,0,0,0|3,0,0]=4 1461 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [1,0,0,0,0,0|3,0,0]=4 1462 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [1,0,0,0,0,0|2,0,1]=4 1463 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [1,0,0,0,0,0|2,0,1]=4 1464 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [1,0,0,0,0,0|3,0,0]=4 1465 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [1,0,0,0,0,0|3,0,0]=4 1466 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [1,0,0,0,0,0|3,0,0]=4 1467 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [1,0,0,0,0,0|3,0,0]=4 1468 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [1,0,0,0,0,0|3,0,0]=4 1469 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [1,0,0,0,0,0|2,0,1]=4 1470 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 1471 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 1472 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 1473 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 1474 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 1475 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 1476 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [1,0,0,0,0,0|2,0,1]=4 1477 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [1,0,0,0,0,0|3,0,0]=4 1478 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [1,0,0,0,0,0|3,0,0]=4 1479 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [1,0,0,0,0,0|3,0,0]=4 1480 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [1,0,0,0,0,0|3,0,0]=4 1481 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [1,0,0,0,0,0|3,0,0]=4 1482 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [1,0,0,0,0,0|3,0,0]=4 1483 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [1,0,0,0,0,0|3,0,0]=4 1484 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 1485 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [1,0,0,0,0,0|3,0,0]=4 1486 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 1487 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 1488 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 1489 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [1,0,0,0,0,0|3,0,0]=4 1490 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [1,0,0,0,0,0|3,0,0]=4 1491 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [1,0,0,0,0,0|3,0,0]=4 1492 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [1,0,0,0,0,0|3,0,0]=4 1493 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [1,0,0,0,0,0|3,0,0]=4 1494 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [1,0,0,0,0,0|3,0,0]=4 1495 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [1,0,0,0,0,0|3,0,0]=4 1496 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [1,0,0,0,0,0|3,0,0]=4 1497 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [1,0,0,0,0,0|3,0,0]=4 1498 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [1,0,0,0,0,0|2,0,1]=4 1499 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [1,0,0,0,0,0|2,0,1]=4 1500 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [1,0,0,0,0,0|3,0,0]=4 1501 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [1,0,0,0,0,0|3,0,0]=4 1502 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [1,0,0,0,0,0|3,0,0]=4 1503 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [1,0,0,0,0,0|3,0,0]=4 1504 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 1505 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 1506 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 1507 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 1508 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [1,0,0,0,0,0|3,0,0]=4 1509 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [1,0,0,0,0,0|3,0,0]=4 1510 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [1,0,0,0,0,0|3,0,0]=4 1511 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [1,0,0,0,0,0|3,0,0]=4 1512 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [1,0,0,0,0,0|3,0,0]=4 1513 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [1,0,0,0,0,0|3,0,0]=4 1514 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [1,0,0,0,0,0|3,0,0]=4 1515 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [1,0,0,0,0,0|3,0,0]=4 1516 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 1517 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 1518 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [1,0,0,0,0,0|3,0,0]=4 1519 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [1,0,0,0,0,0|3,0,0]=4 1520 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [1,0,0,0,0,0|3,0,0]=4 1521 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [1,0,0,0,0,0|3,0,0]=4 1522 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [1,0,0,0,0,0|3,0,0]=4 1523 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [1,0,0,0,0,0|3,0,0]=4 1524 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [1,0,0,0,0,0|3,0,0]=4 1525 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [1,0,0,0,0,0|3,0,0]=4 1526 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [1,0,0,0,0,0|3,0,0]=4 1527 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 1528 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 1529 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [1,0,0,0,0,0|3,0,0]=4 1530 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [1,0,0,0,0,0|3,0,0]=4 1531 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 1532 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 1533 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [1,0,0,0,0,0|3,0,0]=4 1534 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 1535 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [1,0,0,0,0,0|3,0,0]=4 1536 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 1537 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [1,0,0,0,0,0|2,0,1]=4 1538 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [1,0,0,0,0,0|3,0,0]=4 1539 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [1,0,0,0,0,0|3,0,0]=4 1540 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [1,0,0,0,0,0|3,0,0]=4 1541 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [1,0,0,0,0,0|3,0,0]=4 1542 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [1,0,0,0,0,0|3,0,0]=4 1543 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 1544 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 1545 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 1546 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 1547 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [1,0,0,0,0,0|2,0,1]=4 1548 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [1,0,0,0,0,0|3,0,0]=4 1549 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [1,0,0,0,0,0|3,0,0]=4 1550 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [1,0,0,0,0,0|3,0,0]=4 1551 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [1,0,0,0,0,0|3,0,0]=4 1552 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [1,0,0,0,0,0|3,0,0]=4 1553 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [1,0,0,0,0,0|3,0,0]=4 1554 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 1555 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 1556 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [1,0,0,0,0,0|3,0,0]=4 1557 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 1558 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [1,0,0,0,0,0|3,0,0]=4 1559 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 1560 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [1,0,0,0,0,0|3,0,0]=4 1561 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [1,0,0,0,0,0|3,0,0]=4 1562 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [1,0,0,0,0,0|3,0,0]=4 1563 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [1,0,0,0,0,0|3,0,0]=4 1564 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [1,0,0,0,0,0|3,0,0]=4 1565 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [1,0,0,0,0,0|3,0,0]=4 1566 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [1,0,0,0,0,0|3,0,0]=4 1567 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [1,0,0,0,0,0|3,0,0]=4 1568 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [1,0,0,0,0,0|3,0,0]=4 1569 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [1,0,0,0,0,0|3,0,0]=4 1570 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [1,0,0,0,0,0|3,0,0]=4 1571 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [1,0,0,0,0,0|3,0,0]=4 1572 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [1,0,0,0,0,0|3,0,0]=4 1573 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [1,0,0,0,0,0|3,0,0]=4 1574 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [1,0,0,0,0,0|3,0,0]=4 1575 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 1576 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [1,0,0,0,0,0|3,0,0]=4 1577 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 1578 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [1,0,0,0,0,0|2,0,1]=4 1579 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [1,0,0,0,0,0|3,0,0]=4 1580 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [1,0,0,0,0,0|3,0,0]=4 1581 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [1,0,0,0,0,0|3,0,0]=4 1582 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [1,0,0,0,0,0|3,0,0]=4 1583 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [1,0,0,0,0,0|3,0,0]=4 1584 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 1585 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 1586 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1587 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1588 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [1,0,0,0,0,0|3,0,0]=4 1589 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 1590 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 1591 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [1,0,0,0,0,0|3,0,0]=4 1592 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [1,0,0,0,0,0|3,0,0]=4 1593 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [1,0,0,0,0,0|3,0,0]=4 1594 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [1,0,0,0,0,0|3,0,0]=4 1595 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [1,0,0,0,0,0|3,0,0]=4 1596 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [1,0,0,0,0,0|3,0,0]=4 1597 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [1,0,0,0,0,0|3,0,0]=4 1598 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [1,0,0,0,0,0|3,0,0]=4 1599 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [1,0,0,0,0,0|3,0,0]=4 1600 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 1601 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [1,0,0,0,0,0|3,0,0]=4 1602 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [1,0,0,0,0,0|3,0,0]=4 1603 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [1,0,0,0,0,0|3,0,0]=4 1604 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [1,0,0,0,0,0|3,0,0]=4 1605 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [1,0,0,0,0,0|3,0,0]=4 1606 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [1,0,0,0,0,0|3,0,0]=4 1607 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [1,0,0,0,0,0|3,0,0]=4 1608 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [1,0,0,0,0,0|3,0,0]=4 1609 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 1610 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [1,0,0,0,0,0|3,0,0]=4 1611 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [1,0,0,0,0,0|3,0,0]=4 1612 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [1,0,0,0,0,0|3,0,0]=4 1613 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 1614 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 1615 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [1,0,0,0,0,0|3,0,0]=4 1616 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [1,0,0,0,0,0|3,0,0]=4 1617 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [1,0,0,0,0,0|3,0,0]=4 1618 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [1,0,0,0,0,0|3,0,0]=4 1619 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 1620 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [1,0,0,0,0,0|3,0,0]=4 1621 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [1,0,0,0,0,0|3,0,0]=4 1622 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 1623 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [1,0,0,0,0,0|3,0,0]=4 1624 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [1,0,0,0,0,0|3,0,0]=4 1625 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [1,0,0,0,0,0|3,0,0]=4 1626 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [1,0,0,0,0,0|3,0,0]=4 1627 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [1,0,0,0,0,0|3,0,0]=4 1628 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [1,0,0,0,0,0|3,0,0]=4 1629 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [1,0,0,0,0,0|3,0,0]=4 1630 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [1,0,0,0,0,0|3,0,0]=4 1631 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 1632 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [1,0,0,0,0,0|3,0,0]=4 1633 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [1,0,0,0,0,0|3,0,0]=4 1634 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [1,0,0,0,0,0|3,0,0]=4 1635 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [1,0,0,0,0,0|3,0,0]=4 1636 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [1,0,0,0,0,0|3,0,0]=4 1637 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [1,0,0,0,0,0|3,0,0]=4 1638 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 1639 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 1640 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 1641 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 1642 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1643 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [1,0,0,0,0,0|2,0,0]=3 1644 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [1,0,0,0,0,0|3,0,0]=4 1645 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [1,0,0,0,0,0|3,0,0]=4 1646 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [1,0,0,0,0,0|3,0,0]=4 1647 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [1,0,0,0,0,0|2,0,1]=4 1648 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [1,0,0,0,0,0|2,0,1]=4 1649 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 1650 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [1,0,0,0,0,0|2,0,1]=4 1651 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [1,0,0,0,0,0|2,0,1]=4 1652 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [1,0,0,0,0,0|2,0,1]=4 1653 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [1,0,0,0,0,0|2,0,1]=4 1654 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [1,0,0,0,0,0|2,0,1]=4 1655 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [1,0,0,0,0,0|2,0,1]=4 1656 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [1,0,0,0,0,0|2,0,1]=4 1657 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [1,0,0,0,0,0|2,0,1]=4 1658 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [1,0,0,0,0,0|2,0,1]=4 1659 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [1,0,0,0,0,0|2,0,1]=4 1660 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [1,0,0,0,0,0|1,0,2]=4 1661 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [1,0,0,0,0,0|1,0,2]=4 1662 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [1,0,0,0,0,0|2,0,1]=4 1663 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [1,0,0,0,0,0|2,0,1]=4 1664 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [1,0,0,0,0,0|2,0,1]=4 1665 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [1,0,0,0,0,0|2,0,1]=4 1666 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [1,0,0,0,0,0|2,0,1]=4 1667 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [1,0,0,0,0,0|2,0,1]=4 1668 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [1,0,0,0,0,0|2,0,1]=4 1669 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [1,0,0,0,0,0|2,0,1]=4 1670 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [1,0,0,0,0,0|2,0,1]=4 1671 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [1,0,0,0,0,0|2,0,1]=4 1672 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [1,0,0,0,0,0|2,0,1]=4 1673 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [1,0,0,0,0,0|1,0,2]=4 1674 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [1,0,0,0,0,0|2,0,1]=4 1675 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [1,0,0,0,0,0|2,0,1]=4 1676 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [1,0,0,0,0,0|2,0,1]=4 1677 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [1,0,0,0,0,0|2,0,1]=4 1678 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [1,0,0,0,0,0|1,0,2]=4 1679 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [1,0,0,0,0,0|1,0,2]=4 1680 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [1,0,0,0,0,0|2,0,1]=4 1681 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [1,0,0,0,0,0|2,0,1]=4 1682 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [1,0,0,0,0,0|2,0,1]=4 1683 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [1,0,0,0,0,0|1,0,2]=4 1684 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [1,0,0,0,0,0|2,0,1]=4 1685 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [1,0,0,0,0,0|2,0,1]=4 1686 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [1,0,0,0,0,0|2,0,1]=4 1687 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [1,0,0,0,0,0|2,0,1]=4 1688 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [1,0,0,0,0,0|1,0,2]=4 1689 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [1,0,0,0,0,0|1,0,2]=4 1690 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [1,0,0,0,0,0|2,0,1]=4 1691 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [1,0,0,0,0,0|2,0,1]=4 1692 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [1,0,0,0,0,0|1,0,2]=4 1693 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [1,0,0,0,0,0|2,0,1]=4 1694 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [1,0,0,0,0,0|2,0,1]=4 1695 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [1,0,0,0,0,0|2,0,1]=4 1696 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [1,0,0,0,0,0|1,0,2]=4 1697 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [1,0,0,0,0,0|2,0,1]=4 1698 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [1,0,0,0,0,0|2,0,1]=4 1699 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [1,0,0,0,0,0|2,0,1]=4 1700 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [1,0,0,0,0,0|2,0,1]=4 1701 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [1,0,0,0,0,0|1,0,2]=4 1702 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [1,0,0,0,0,0|1,0,2]=4 1703 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [1,0,0,0,0,0|2,0,1]=4 1704 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [1,0,0,0,0,0|2,0,1]=4 1705 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [1,0,0,0,0,0|2,0,1]=4 1706 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [1,0,0,0,0,0|2,0,1]=4 1707 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [1,0,0,0,0,0|2,0,1]=4 1708 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [1,0,0,0,0,0|2,0,1]=4 1709 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [1,0,0,0,0,0|2,0,1]=4 1710 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [1,0,0,0,0,0|2,0,1]=4 1711 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [1,0,0,0,0,0|2,0,1]=4 1712 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [1,0,0,0,0,0|2,0,1]=4 1713 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [1,0,0,0,0,0|2,0,1]=4 1714 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [1,0,0,0,0,0|2,0,1]=4 1715 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [1,0,0,0,0,0|2,0,1]=4 1716 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [1,0,0,0,0,0|2,0,1]=4 1717 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [1,0,0,0,0,0|2,0,1]=4 1718 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [1,0,0,0,0,0|2,0,1]=4 1719 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [1,0,0,0,0,0|2,0,1]=4 1720 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [1,0,0,0,0,0|2,0,1]=4 1721 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [1,0,0,0,0,0|2,0,1]=4 1722 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [1,0,0,0,0,0|2,0,1]=4 1723 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [1,0,0,0,0,0|2,0,1]=4 1724 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [1,0,0,0,0,0|2,0,1]=4 1725 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [1,0,0,0,0,0|2,0,1]=4 1726 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [1,0,0,0,0,0|2,0,1]=4 1727 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [1,0,0,0,0,0|2,0,1]=4 1728 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [1,0,0,0,0,0|2,0,1]=4 1729 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [1,0,0,0,0,0|2,0,1]=4 1730 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [1,0,0,0,0,0|2,0,1]=4 1731 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [1,0,0,0,0,0|2,0,1]=4 1732 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [1,0,0,0,0,0|2,0,1]=4 1733 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,0,0,0,0,0|2,0,0]=3 1734 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,0,0,0,0,0|2,0,0]=3 1735 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,0,0,0,0,0|2,0,0]=3 1736 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,0,0,0,0,0|2,0,0]=3 1737 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,0,0,0,0,0|2,0,0]=3 1738 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,0,0,0,0,0|2,0,0]=3 1739 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,0,0,0,0,0|2,0,0]=3 1740 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [1,0,0,0,0,0|3,0,0]=4 1741 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,0,0,0,0,0|2,0,0]=3 1742 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,0,0,0,0,0|2,0,0]=3 1743 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,0,0,0,0,0|2,0,0]=3 1744 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [1,0,0,0,0,0|3,0,0]=4 1745 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [1,0,0,0,0,0|3,0,0]=4 1746 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [1,0,0,0,0,0|3,0,0]=4 1747 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [1,0,0,0,0,0|3,0,0]=4 1748 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [1,0,0,0,0,0|3,0,0]=4 1749 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [1,0,0,0,0,0|3,0,0]=4 1750 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [1,0,0,0,0,0|3,0,0]=4 1751 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [1,0,0,0,0,0|1,0,2]=4 1752 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [1,0,0,0,0,0|1,0,2]=4 1753 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [1,0,0,0,0,0|3,0,0]=4 1754 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,0,0,0,0,0|2,0,0]=3 1755 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,0,0,0,0,0|2,0,0]=3 1756 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,0,0,0,0,0|2,0,0]=3 1757 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [1,0,0,0,0,0|3,0,0]=4 1758 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [1,0,0,0,0,0|3,0,0]=4 1759 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [1,0,0,0,0,0|3,0,0]=4 1760 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [1,0,0,0,0,0|3,0,0]=4 1761 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [1,0,0,0,0,0|3,0,0]=4 1762 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [1,0,0,0,0,0|3,0,0]=4 1763 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [1,0,0,0,0,0|1,0,2]=4 1764 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [1,0,0,0,0,0|1,0,2]=4 1765 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [1,0,0,0,0,0|3,0,0]=4 1766 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [1,0,0,0,0,0|3,0,0]=4 1767 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [1,0,0,0,0,0|3,0,0]=4 1768 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [1,0,0,0,0,0|3,0,0]=4 1769 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [1,0,0,0,0,0|3,0,0]=4 1770 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [1,0,0,0,0,0|3,0,0]=4 1771 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [1,0,0,0,0,0|3,0,0]=4 1772 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [1,0,0,0,0,0|3,0,0]=4 1773 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,0,0,0,0,0|2,0,0]=3 1774 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,0,0,0,0,0|2,0,0]=3 1775 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [1,0,0,0,0,0|3,0,0]=4 1776 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [1,0,0,0,0,0|3,0,0]=4 1777 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [1,0,0,0,0,0|3,0,0]=4 1778 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [1,0,0,0,0,0|3,0,0]=4 1779 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [1,0,0,0,0,0|3,0,0]=4 1780 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,0,0,0,0,0|2,0,0]=3 1781 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,0,0,0,0,0|2,0,0]=3 1782 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,0,0,0,0,0|2,0,0]=3 1783 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,0,0,0,0,0|2,0,0]=3 1784 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [1,0,0,0,0,0|3,0,0]=4 1785 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [1,0,0,0,0,0|3,0,0]=4 1786 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [1,0,0,0,0,0|3,0,0]=4 1787 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [1,0,0,0,0,0|3,0,0]=4 1788 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [1,0,0,0,0,0|3,0,0]=4 1789 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [1,0,0,0,0,0|3,0,0]=4 1790 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [1,0,0,0,0,0|3,0,0]=4 1791 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [1,0,0,0,0,0|3,0,0]=4 1792 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [1,0,0,0,0,0|3,0,0]=4 1793 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [1,0,0,0,0,0|3,0,0]=4 1794 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [1,0,0,0,0,0|3,0,0]=4 1795 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [1,0,0,0,0,0|3,0,0]=4 1796 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [1,0,0,0,0,0|3,0,0]=4 1797 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [1,0,0,0,0,0|3,0,0]=4 1798 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [1,0,0,0,0,0|3,0,0]=4 1799 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [1,0,0,0,0,0|3,0,0]=4 1800 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [1,0,0,0,0,0|3,0,0]=4 1801 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [1,0,0,0,0,0|3,0,0]=4 1802 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [1,0,0,0,0,0|3,0,0]=4 1803 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [1,0,0,0,0,0|3,0,0]=4 1804 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [1,0,0,0,0,0|3,0,0]=4 1805 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [1,0,0,0,0,0|3,0,0]=4 1806 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [1,0,0,0,0,0|3,0,0]=4 1807 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [1,0,0,0,0,0|3,0,0]=4 1808 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,0,0,0,0,0|2,0,0]=3 1809 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1810 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1811 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [1,0,0,0,0,0|3,0,0]=4 1812 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [1,0,0,0,0,0|3,0,0]=4 1813 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [1,0,0,0,0,0|3,0,0]=4 1814 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [1,0,0,0,0,0|3,0,0]=4 1815 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [1,0,0,0,0,0|3,0,0]=4 1816 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [1,0,0,0,0,0|1,0,2]=4 1817 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [1,0,0,0,0,0|3,0,0]=4 1818 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,0,0,0,0,0|2,0,0]=3 1819 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,0,0,0,0,0|2,0,0]=3 1820 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,0,0,0,0,0|2,0,0]=3 1821 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,0,0,0,0,0|2,0,0]=3 1822 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [1,0,0,0,0,0|3,0,0]=4 1823 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [1,0,0,0,0,0|3,0,0]=4 1824 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [1,0,0,0,0,0|3,0,0]=4 1825 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [1,0,0,0,0,0|3,0,0]=4 1826 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [1,0,0,0,0,0|3,0,0]=4 1827 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [1,0,0,0,0,0|3,0,0]=4 1828 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [1,0,0,0,0,0|3,0,0]=4 1829 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1830 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [1,0,0,0,0,0|3,0,0]=4 1831 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [1,0,0,0,0,0|3,0,0]=4 1832 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [1,0,0,0,0,0|3,0,0]=4 1833 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [1,0,0,0,0,0|3,0,0]=4 1834 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [1,0,0,0,0,0|3,0,0]=4 1835 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [1,0,0,0,0,0|3,0,0]=4 1836 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [1,0,0,0,0,0|3,0,0]=4 1837 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [1,0,0,0,0,0|3,0,0]=4 1838 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [1,0,0,0,0,0|3,0,0]=4 1839 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [1,0,0,0,0,0|3,0,0]=4 1840 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [1,0,0,0,0,0|3,0,0]=4 1841 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [1,0,0,0,0,0|3,0,0]=4 1842 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [1,0,0,0,0,0|3,0,0]=4 1843 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [1,0,0,0,0,0|3,0,0]=4 1844 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [1,0,0,0,0,0|3,0,0]=4 1845 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [1,0,0,0,0,0|3,0,0]=4 1846 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [1,0,0,0,0,0|1,0,2]=4 1847 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [1,0,0,0,0,0|1,0,2]=4 1848 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [1,0,0,0,0,0|3,0,0]=4 1849 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [1,0,0,0,0,0|3,0,0]=4 1850 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [1,0,0,0,0,0|3,0,0]=4 1851 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [1,0,0,0,0,0|3,0,0]=4 1852 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [1,0,0,0,0,0|3,0,0]=4 1853 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [1,0,0,0,0,0|3,0,0]=4 1854 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [1,0,0,0,0,0|3,0,0]=4 1855 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1856 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [1,0,0,0,0,0|3,0,0]=4 1857 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [1,0,0,0,0,0|3,0,0]=4 1858 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,0,0,0,0,0|2,0,0]=3 1859 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1860 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1861 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [1,0,0,0,0,0|3,0,0]=4 1862 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [1,0,0,0,0,0|3,0,0]=4 1863 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [1,0,0,0,0,0|3,0,0]=4 1864 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [1,0,0,0,0,0|3,0,0]=4 1865 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [1,0,0,0,0,0|3,0,0]=4 1866 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [1,0,0,0,0,0|1,0,2]=4 1867 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [1,0,0,0,0,0|3,0,0]=4 1868 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [1,0,0,0,0,0|3,0,0]=4 1869 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,0,0,0,0,0|2,0,0]=3 1870 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,0,0,0,0,0|2,0,0]=3 1871 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,0,0,0,0,0|2,0,0]=3 1872 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,0,0,0,0,0|2,0,0]=3 1873 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [1,0,0,0,0,0|3,0,0]=4 1874 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [1,0,0,0,0,0|3,0,0]=4 1875 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [1,0,0,0,0,0|3,0,0]=4 1876 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [1,0,0,0,0,0|3,0,0]=4 1877 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [1,0,0,0,0,0|3,0,0]=4 1878 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [1,0,0,0,0,0|3,0,0]=4 1879 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1880 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [1,0,0,0,0,0|3,0,0]=4 1881 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [1,0,0,0,0,0|3,0,0]=4 1882 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [1,0,0,0,0,0|3,0,0]=4 1883 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [1,0,0,0,0,0|3,0,0]=4 1884 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [1,0,0,0,0,0|3,0,0]=4 1885 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [1,0,0,0,0,0|3,0,0]=4 1886 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [1,0,0,0,0,0|3,0,0]=4 1887 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [1,0,0,0,0,0|3,0,0]=4 1888 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [1,0,0,0,0,0|3,0,0]=4 1889 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [1,0,0,0,0,0|3,0,0]=4 1890 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [1,0,0,0,0,0|3,0,0]=4 1891 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [1,0,0,0,0,0|3,0,0]=4 1892 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [1,0,0,0,0,0|3,0,0]=4 1893 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [1,0,0,0,0,0|3,0,0]=4 1894 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [1,0,0,0,0,0|3,0,0]=4 1895 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [1,0,0,0,0,0|3,0,0]=4 1896 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [1,0,0,0,0,0|3,0,0]=4 1897 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [1,0,0,0,0,0|3,0,0]=4 1898 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [1,0,0,0,0,0|3,0,0]=4 1899 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [1,0,0,0,0,0|3,0,0]=4 1900 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [1,0,0,0,0,0|1,0,2]=4 1901 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [1,0,0,0,0,0|1,0,2]=4 1902 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [1,0,0,0,0,0|3,0,0]=4 1903 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [1,0,0,0,0,0|3,0,0]=4 1904 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [1,0,0,0,0,0|3,0,0]=4 1905 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [1,0,0,0,0,0|3,0,0]=4 1906 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [1,0,0,0,0,0|3,0,0]=4 1907 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [1,0,0,0,0,0|3,0,0]=4 1908 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [1,0,0,0,0,0|3,0,0]=4 1909 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [1,0,0,0,0,0|3,0,0]=4 1910 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [1,0,0,0,0,0|3,0,0]=4 1911 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [1,0,0,0,0,0|3,0,0]=4 1912 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [1,0,0,0,0,0|3,0,0]=4 1913 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [1,0,0,0,0,0|3,0,0]=4 1914 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [1,0,0,0,0,0|1,0,2]=4 1915 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,0,0,0,0,0|2,0,0]=3 1916 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,0,0,0,0,0|2,0,0]=3 1917 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,0,0,0,0,0|2,0,0]=3 1918 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [1,0,0,0,0,0|3,0,0]=4 1919 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [1,0,0,0,0,0|3,0,0]=4 1920 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1921 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [1,0,0,0,0,0|3,0,0]=4 1922 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1923 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [1,0,0,0,0,0|3,0,0]=4 1924 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [1,0,0,0,0,0|3,0,0]=4 1925 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [1,0,0,0,0,0|3,0,0]=4 1926 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [1,0,0,0,0,0|3,0,0]=4 1927 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [1,0,0,0,0,0|3,0,0]=4 1928 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [1,0,0,0,0,0|3,0,0]=4 1929 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [1,0,0,0,0,0|3,0,0]=4 1930 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [1,0,0,0,0,0|3,0,0]=4 1931 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [1,0,0,0,0,0|1,0,2]=4 1932 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [1,0,0,0,0,0|3,0,0]=4 1933 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [1,0,0,0,0,0|3,0,0]=4 1934 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,0,0,0,0,0|2,0,0]=3 1935 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,0,0,0,0,0|2,0,0]=3 1936 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,0,0,0,0,0|2,0,0]=3 1937 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,0,0,0,0,0|2,0,0]=3 1938 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [1,0,0,0,0,0|3,0,0]=4 1939 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [1,0,0,0,0,0|3,0,0]=4 1940 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [1,0,0,0,0,0|3,0,0]=4 1941 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [1,0,0,0,0,0|3,0,0]=4 1942 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [1,0,0,0,0,0|3,0,0]=4 1943 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [1,0,0,0,0,0|3,0,0]=4 1944 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1945 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [1,0,0,0,0,0|3,0,0]=4 1946 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [1,0,0,0,0,0|3,0,0]=4 1947 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [1,0,0,0,0,0|3,0,0]=4 1948 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [1,0,0,0,0,0|3,0,0]=4 1949 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [1,0,0,0,0,0|3,0,0]=4 1950 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [1,0,0,0,0,0|3,0,0]=4 1951 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [1,0,0,0,0,0|3,0,0]=4 1952 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [1,0,0,0,0,0|3,0,0]=4 1953 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [1,0,0,0,0,0|3,0,0]=4 1954 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [1,0,0,0,0,0|1,0,2]=4 1955 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [1,0,0,0,0,0|1,0,2]=4 1956 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [1,0,0,0,0,0|3,0,0]=4 1957 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [1,0,0,0,0,0|3,0,0]=4 1958 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [1,0,0,0,0,0|3,0,0]=4 1959 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [1,0,0,0,0,0|3,0,0]=4 1960 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [1,0,0,0,0,0|3,0,0]=4 1961 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [1,0,0,0,0,0|3,0,0]=4 1962 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,0,0,0,0,0|2,0,0]=3 1963 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,0,0,0,0,0|2,0,0]=3 1964 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,0,0,0,0,0|2,0,0]=3 1965 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,0,0,0,0,0|2,0,0]=3 1966 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [1,0,0,0,0,0|3,0,0]=4 1967 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [1,0,0,0,0,0|3,0,0]=4 1968 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [1,0,0,0,0,0|3,0,0]=4 1969 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [1,0,0,0,0,0|3,0,0]=4 1970 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [1,0,0,0,0,0|3,0,0]=4 1971 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [1,0,0,0,0,0|3,0,0]=4 1972 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [1,0,0,0,0,0|3,0,0]=4 1973 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [1,0,0,0,0,0|3,0,0]=4 1974 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1975 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1976 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,0,0,0,0,0|2,0,0]=3 1977 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,0,0,0,0,0|2,0,0]=3 1978 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,0,0,0,0,0|2,0,0]=3 1979 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,0,0,0,0,0|2,0,0]=3 1980 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [1,0,0,0,0,0|3,0,0]=4 1981 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [1,0,0,0,0,0|3,0,0]=4 1982 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [1,0,0,0,0,0|3,0,0]=4 1983 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [1,0,0,0,0,0|3,0,0]=4 1984 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [1,0,0,0,0,0|3,0,0]=4 1985 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [1,0,0,0,0,0|3,0,0]=4 1986 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [1,0,0,0,0,0|3,0,0]=4 1987 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [1,0,0,0,0,0|3,0,0]=4 1988 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [1,0,0,0,0,0|3,0,0]=4 1989 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [1,0,0,0,0,0|3,0,0]=4 1990 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [1,0,0,0,0,0|3,0,0]=4 1991 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [1,0,0,0,0,0|3,0,0]=4 1992 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1993 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [1,0,0,0,0,0|3,0,0]=4 1994 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [1,0,0,0,0,0|3,0,0]=4 1995 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [1,0,0,0,0,0|3,0,0]=4 1996 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,0,0,0,0,0|2,0,0]=3 1997 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,0,0,0,0,0|2,0,0]=3 1998 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,0,0,0,0,0|2,0,0]=3 1999 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [1,0,0,0,0,0|3,0,0]=4 2000 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 2001 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 2002 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [1,0,0,0,0,0|3,0,0]=4 2003 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [1,0,0,0,0,0|3,0,0]=4 2004 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,0,0,0,0,0|2,0,0]=3 2005 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,0,0,0,0,0|2,0,0]=3 2006 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,0,0,0,0,0|2,0,0]=3 2007 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [1,0,0,0,0,0|3,0,0]=4 2008 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [1,0,0,0,0,0|3,0,0]=4 2009 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 2010 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [1,0,0,0,0,0|3,0,0]=4 2011 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [1,0,0,0,0,0|3,0,0]=4 2012 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [1,0,0,0,0,0|3,0,0]=4 2013 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [1,0,0,0,0,0|3,0,0]=4 2014 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [1,0,0,0,0,0|3,0,0]=4 2015 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [1,0,0,0,0,0|3,0,0]=4 2016 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [1,0,0,0,0,0|3,0,0]=4 2017 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [1,0,0,0,0,0|3,0,0]=4 2018 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,0,0,0,0,0|2,0,0]=3 2019 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,0,0,0,0,0|2,0,0]=3 2020 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,0,0,0,0,0|2,0,0]=3 2021 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [1,0,0,0,0,0|3,0,0]=4 2022 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [1,0,0,0,0,0|3,0,0]=4 2023 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [1,0,0,0,0,0|3,0,0]=4 2024 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [1,0,0,0,0,0|3,0,0]=4 2025 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [1,0,0,0,0,0|3,0,0]=4 2026 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,0,0,0,0,0|2,0,0]=3 2027 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,0,0,0,0,0|2,0,0]=3 2028 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,0,0,0,0,0|2,0,0]=3 2029 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [1,0,0,0,0,0|3,0,0]=4 2030 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [1,0,0,0,0,0|3,0,0]=4 2031 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [1,0,0,0,0,0|3,0,0]=4 2032 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [1,0,0,0,0,0|3,0,0]=4 2033 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [1,0,0,0,0,0|3,0,0]=4 2034 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [1,0,0,0,0,0|3,0,0]=4 2035 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [1,0,0,0,0,0|3,0,0]=4 2036 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [1,0,0,0,0,0|3,0,0]=4 2037 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [1,0,0,0,0,0|3,0,0]=4 2038 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [1,0,0,0,0,0|3,0,0]=4 2039 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [1,0,0,0,0,0|3,0,0]=4 2040 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [1,0,0,0,0,0|3,0,0]=4 2041 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [1,0,0,0,0,0|3,0,0]=4 2042 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [1,0,0,0,0,0|3,0,0]=4 2043 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [1,0,0,0,0,0|3,0,0]=4 2044 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [1,0,0,0,0,0|3,0,0]=4 2045 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [1,0,0,0,0,0|3,0,0]=4 2046 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [1,0,0,0,0,0|3,0,0]=4 2047 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [1,0,0,0,0,0|3,0,0]=4 2048 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [1,0,0,0,0,0|1,0,2]=4 2049 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [1,0,0,0,0,0|1,0,2]=4 2050 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [1,0,0,0,0,0|1,0,2]=4 2051 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [1,0,0,0,0,0|1,0,2]=4 2052 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [1,0,0,0,0,0|1,0,2]=4 2053 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [1,0,0,0,0,0|2,0,1]=4 2054 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [1,0,0,0,0,0|2,0,1]=4 2055 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [1,0,0,0,0,0|2,0,1]=4 2056 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [1,0,0,0,0,0|2,0,1]=4 2057 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [1,0,0,0,0,0|2,0,1]=4 2058 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [1,0,0,0,0,0|1,0,2]=4 2059 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [1,0,0,0,0,0|1,0,2]=4 2060 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [1,0,0,0,0,0|1,0,2]=4 2061 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [1,0,0,0,0,0|1,0,2]=4 2062 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [1,0,0,0,0,0|1,0,2]=4 2063 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [1,0,0,0,0,0|1,0,2]=4 2064 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [1,0,0,0,0,0|1,0,2]=4 2065 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [1,0,0,0,0,0|1,0,2]=4 2066 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [1,0,0,0,0,0|1,0,2]=4 2067 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [1,0,0,0,0,0|1,0,2]=4 2068 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [1,0,0,0,0,0|1,0,2]=4 2069 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [1,0,0,0,0,0|1,0,2]=4 2070 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [1,0,0,0,0,0|1,0,2]=4 2071 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [1,0,0,0,0,0|1,0,2]=4 2072 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [1,0,0,0,0,0|1,0,2]=4 2073 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [1,0,0,0,0,0|1,0,2]=4 2074 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [1,0,0,0,0,0|1,0,2]=4 2075 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [1,0,0,0,0,0|1,0,2]=4 2076 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [1,0,0,0,0,0|1,0,2]=4 2077 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [1,0,0,0,0,0|1,0,2]=4 2078 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [1,0,0,0,0,0|1,0,2]=4 2079 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [1,0,0,0,0,0|1,0,2]=4 2080 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [1,0,0,0,0,0|1,0,2]=4 2081 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [1,0,0,0,0,0|1,0,2]=4 2082 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,0,0,0,0,0|2,0,0]=3 2083 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,0,0,0,0,0|2,0,0]=3 2084 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,0,0,0,0,0|2,0,0]=3 2085 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,0,0,0,0,0|2,0,0]=3 2086 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,0,0,0,0,0|2,0,0]=3 2087 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,0,0,0,0,0|2,0,0]=3 2088 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,0,0,0,0,0|2,0,0]=3 2089 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,0,0,0,0,0|2,0,0]=3 2090 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,0,0,0,0,0|2,0,0]=3 2091 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,0,0,0,0,0|2,0,0]=3 2092 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,0,0,0,0,0|2,0,0]=3 2093 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,0,0,0,0,0|2,0,0]=3 2094 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,0,0,0,0,0|2,0,0]=3 2095 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [1,0,0,0,0,0|2,0,1]=4 2096 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [1,0,0,0,0,0|2,0,1]=4 2097 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [1,0,0,0,0,0|2,0,1]=4 2098 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [1,0,0,0,0,0|2,0,1]=4 2099 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [1,0,0,0,0,0|2,0,1]=4 2100 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [1,0,0,0,0,0|2,0,1]=4 2101 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [1,0,0,0,0,0|2,0,1]=4 2102 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [1,0,0,0,0,0|2,0,1]=4 2103 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [1,0,0,0,0,0|2,0,1]=4 2104 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [1,0,0,0,0,0|2,0,1]=4 2105 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [1,0,0,0,0,0|1,0,0]=2 2106 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [1,0,0,0,0,0|1,0,0]=2 2107 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [1,0,0,0,0,0|2,0,1]=4 2108 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [1,0,0,0,0,0|2,0,1]=4 2109 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [1,0,0,0,0,0|2,0,1]=4 2110 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [1,0,0,0,0,0|2,0,1]=4 2111 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [1,0,0,0,0,0|2,0,1]=4 2112 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,0,0,0,0,0|1,0,1]=3 2113 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,0,0,0,0,0|1,0,1]=3 2114 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,0,0,0,0,0|1,0,1]=3 2115 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,0,0,0,0,0|1,0,1]=3 2116 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [1,0,0,0,0,0|3,0,0]=4 2117 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [1,0,0,0,0,0|3,0,0]=4 2118 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [1,0,0,0,0,0|3,0,0]=4 2119 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [1,0,0,0,0,0|2,0,1]=4 2120 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,0,0,0,0,0|1,0,0]=2 2121 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,0,0,0,0,0|1,0,0]=2 2122 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [1,0,0,0,0,0|2,0,1]=4 2123 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [1,0,0,0,0,0|2,0,1]=4 2124 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [1,0,0,0,0,0|2,0,1]=4 2125 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [1,0,0,0,0,0|2,0,1]=4 2126 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [1,0,0,0,0,0|2,0,1]=4 2127 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [1,0,0,0,0,0|2,0,1]=4 2128 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [1,0,0,0,0,0|2,0,1]=4 2129 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,0,0,0,0,0|1,0,1]=3 2130 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,0,0,0,0,0|1,0,1]=3 2131 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [1,0,0,0,0,0|3,0,0]=4 2132 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [1,0,0,0,0,0|2,0,1]=4 2133 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [1,0,0,0,0,0|1,0,0]=2 2134 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [1,0,0,0,0,0|2,0,1]=4 2135 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,0,0,0,0,0|1,0,1]=3 2136 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [1,0,0,0,0,0|3,0,0]=4 2137 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [1,0,0,0,0,0|2,0,1]=4 2138 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [1,0,0,0,0,0|2,0,1]=4 2139 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [1,0,0,0,0,0|2,0,1]=4 2140 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [1,0,0,0,0,0|2,0,1]=4 2141 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [1,0,0,0,0,0|2,0,1]=4 2142 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [1,0,0,0,0,0|2,0,1]=4 2143 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [1,0,0,0,0,0|2,0,1]=4 2144 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [1,0,0,0,0,0|2,0,1]=4 2145 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [1,0,0,0,0,0|2,0,1]=4 2146 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,0,0,0,0,0|1,0,1]=3 2147 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,0,0,0,0,0|1,0,1]=3 2148 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [1,0,0,0,0,0|3,0,0]=4 2149 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [1,0,0,0,0,0|3,0,0]=4 2150 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [1,0,0,0,0,0|3,0,0]=4 2151 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [1,0,0,0,0,0|3,0,0]=4 2152 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [1,0,0,0,0,0|3,0,0]=4 2153 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [1,0,0,0,0,0|3,0,0]=4 2154 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [1,0,0,0,0,0|2,0,1]=4 2155 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [1,0,0,0,0,0|2,0,1]=4 2156 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [1,0,0,0,0,0|2,0,1]=4 2157 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [1,0,0,0,0,0|2,0,1]=4 2158 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [1,0,0,0,0,0|2,0,1]=4 2159 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [1,0,0,0,0,0|2,0,1]=4 2160 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [1,0,0,0,0,0|2,0,1]=4 2161 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [1,0,0,0,0,0|2,0,1]=4 2162 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [1,0,0,0,0,0|2,0,1]=4 2163 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [1,0,0,0,0,0|2,0,1]=4 2164 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [1,0,0,0,0,0|2,0,1]=4 2165 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,0,0,0,0,0|1,0,1]=3 2166 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,0,0,0,0,0|1,0,1]=3 2167 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [1,0,0,0,0,0|3,0,0]=4 2168 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [1,0,0,0,0,0|3,0,0]=4 2169 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [1,0,0,0,0,0|3,0,0]=4 2170 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [1,0,0,0,0,0|3,0,0]=4 2171 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [1,0,0,0,0,0|3,0,0]=4 2172 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [1,0,0,0,0,0|3,0,0]=4 2173 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [1,0,0,0,0,0|3,0,0]=4 2174 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [1,0,0,0,0,0|3,0,0]=4 2175 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [1,0,0,0,0,0|2,0,1]=4 2176 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [1,0,0,0,0,0|2,0,1]=4 2177 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,0,0,0,0,0|1,0,1]=3 2178 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [1,0,0,0,0,0|3,0,0]=4 2179 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [1,0,0,0,0,0|3,0,0]=4 2180 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [1,0,0,0,0,0|2,0,1]=4 2181 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [1,0,0,0,0,0|1,0,0]=2 2182 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [1,0,0,0,0,0|2,0,1]=4 2183 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [1,0,0,0,0,0|2,0,1]=4 2184 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [1,0,0,0,0,0|2,0,1]=4 2185 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [1,0,0,0,0,0|2,0,1]=4 2186 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [1,0,0,0,0,0|2,0,1]=4 2187 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [1,0,0,0,0,0|1,0,1]=3 2188 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [1,0,0,0,0,0|1,0,1]=3 2189 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [1,0,0,0,0,0|1,0,1]=3 2190 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [1,0,0,0,0,0|1,0,1]=3 2191 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [1,0,0,0,0,0|3,0,0]=4 2192 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [1,0,0,0,0,0|3,0,0]=4 2193 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [1,0,0,0,0,0|3,0,0]=4 2194 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [1,0,0,0,0,0|3,0,0]=4 2195 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [1,0,0,0,0,0|2,0,1]=4 2196 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,0,0,0,0,0|1,0,0]=2 2197 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [1,0,0,0,0,0|2,0,1]=4 2198 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [1,0,0,0,0,0|2,0,1]=4 2199 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [1,0,0,0,0,0|2,0,1]=4 2200 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [1,0,0,0,0,0|2,0,1]=4 2201 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [1,0,0,0,0,0|2,0,1]=4 2202 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [1,0,0,0,0,0|2,0,1]=4 2203 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [1,0,0,0,0,0|2,0,1]=4 2204 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [1,0,0,0,0,0|2,0,1]=4 2205 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [1,0,0,0,0,0|2,0,1]=4 2206 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [1,0,0,0,0,0|2,0,1]=4 2207 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [1,0,0,0,0,0|2,0,1]=4 2208 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [1,0,0,0,0,0|2,0,1]=4 2209 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [1,0,0,0,0,0|2,0,1]=4 2210 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [1,0,0,0,0,0|1,0,1]=3 2211 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [1,0,0,0,0,0|1,0,1]=3 2212 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [1,0,0,0,0,0|3,0,0]=4 2213 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [1,0,0,0,0,0|3,0,0]=4 2214 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [1,0,0,0,0,0|3,0,0]=4 2215 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [1,0,0,0,0,0|3,0,0]=4 2216 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [1,0,0,0,0,0|3,0,0]=4 2217 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [1,0,0,0,0,0|3,0,0]=4 2218 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [1,0,0,0,0,0|2,0,1]=4 2219 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [1,0,0,0,0,0|2,0,1]=4 2220 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [1,0,0,0,0,0|1,0,0]=2 2221 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [1,0,0,0,0,0|1,0,0]=2 2222 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [1,0,0,0,0,0|2,0,1]=4 2223 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [1,0,0,0,0,0|2,0,1]=4 2224 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [1,0,0,0,0,0|1,0,1]=3 2225 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [1,0,0,0,0,0|1,0,1]=3 2226 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [1,0,0,0,0,0|3,0,0]=4 2227 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [1,0,0,0,0,0|3,0,0]=4 2228 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [1,0,0,0,0,0|2,0,1]=4 2229 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [1,0,0,0,0,0|1,0,0]=2 2230 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [1,0,0,0,0,0|2,0,1]=4 2231 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [1,0,0,0,0,0|2,0,1]=4 2232 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [1,0,0,0,0,0|2,0,1]=4 2233 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [1,0,0,0,0,0|1,0,1]=3 2234 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [1,0,0,0,0,0|1,0,1]=3 2235 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [1,0,0,0,0,0|1,0,1]=3 2236 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [1,0,0,0,0,0|3,0,0]=4 2237 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [1,0,0,0,0,0|2,0,1]=4 2238 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [1,0,0,0,0,0|2,0,1]=4 2239 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [1,0,0,0,0,0|2,0,1]=4 2240 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [1,0,0,0,0,0|2,0,1]=4 2241 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [1,0,0,0,0,0|2,0,1]=4 2242 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [1,0,0,0,0,0|1,0,0]=2 2243 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [1,0,0,0,0,0|2,0,1]=4 2244 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [1,0,0,0,0,0|2,0,1]=4 2245 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [1,0,0,0,0,0|2,0,1]=4 2246 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [1,0,0,0,0,0|2,0,1]=4 2247 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [1,0,0,0,0,0|2,0,1]=4 2248 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [1,0,0,0,0,0|2,0,1]=4 2249 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [1,0,0,0,0,0|2,0,1]=4 2250 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [1,0,0,0,0,0|2,0,1]=4 2251 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [1,0,0,0,0,0|2,0,1]=4 2252 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [1,0,0,0,0,0|2,0,1]=4 2253 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [1,0,0,0,0,0|2,0,1]=4 2254 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [1,0,0,0,0,0|2,0,1]=4 2255 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [1,0,0,0,0,0|2,0,1]=4 2256 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [1,0,0,0,0,0|1,0,1]=3 2257 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [1,0,0,0,0,0|1,0,1]=3 2258 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [1,0,0,0,0,0|3,0,0]=4 2259 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [1,0,0,0,0,0|3,0,0]=4 2260 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [1,0,0,0,0,0|3,0,0]=4 2261 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [1,0,0,0,0,0|3,0,0]=4 2262 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [1,0,0,0,0,0|3,0,0]=4 2263 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [1,0,0,0,0,0|2,0,1]=4 2264 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [1,0,0,0,0,0|2,0,1]=4 2265 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [1,0,0,0,0,0|2,0,1]=4 2266 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [1,0,0,0,0,0|2,0,1]=4 2267 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [1,0,0,0,0,0|1,0,0]=2 2268 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [1,0,0,0,0,0|1,0,0]=2 2269 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [1,0,0,0,0,0|2,0,1]=4 2270 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [1,0,0,0,0,0|2,0,1]=4 2271 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [1,0,0,0,0,0|1,0,1]=3 2272 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [1,0,0,0,0,0|1,0,1]=3 2273 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [1,0,0,0,0,0|3,0,0]=4 2274 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [1,0,0,0,0,0|3,0,0]=4 2275 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [1,0,0,0,0,0|2,0,1]=4 2276 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [1,0,0,0,0,0|2,0,1]=4 2277 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [1,0,0,0,0,0|2,0,1]=4 2278 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [1,0,0,0,0,0|1,0,0]=2 2279 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [1,0,0,0,0,0|2,0,1]=4 2280 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [1,0,0,0,0,0|1,0,1]=3 2281 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [1,0,0,0,0,0|1,0,1]=3 2282 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [1,0,0,0,0,0|1,0,1]=3 2283 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [1,0,0,0,0,0|3,0,0]=4 2284 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [1,0,0,0,0,0|3,0,0]=4 2285 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [1,0,0,0,0,0|2,0,1]=4 2286 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [1,0,0,0,0,0|1,0,0]=2 2287 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [1,0,0,0,0,0|2,0,1]=4 2288 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [1,0,0,0,0,0|2,0,1]=4 2289 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [1,0,0,0,0,0|2,0,1]=4 2290 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [1,0,0,0,0,0|2,0,1]=4 2291 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [1,0,0,0,0,0|2,0,1]=4 2292 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [1,0,0,0,0,0|2,0,1]=4 2293 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [1,0,0,0,0,0|2,0,1]=4 2294 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [1,0,0,0,0,0|2,0,1]=4 2295 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [1,0,0,0,0,0|2,0,1]=4 2296 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [1,0,0,0,0,0|1,0,1]=3 2297 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [1,0,0,0,0,0|1,0,1]=3 2298 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [1,0,0,0,0,0|3,0,0]=4 2299 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [1,0,0,0,0,0|2,0,1]=4 2300 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [1,0,0,0,0,0|2,0,1]=4 2301 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [1,0,0,0,0,0|2,0,1]=4 2302 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [1,0,0,0,0,0|2,0,1]=4 2303 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [1,0,0,0,0,0|1,0,0]=2 2304 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [1,0,0,0,0,0|1,0,0]=2 2305 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [1,0,0,0,0,0|2,0,1]=4 2306 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [1,0,0,0,0,0|2,0,1]=4 2307 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [1,0,0,0,0,0|1,0,1]=3 2308 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [1,0,0,0,0,0|1,0,1]=3 2309 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [1,0,0,0,0,0|2,0,1]=4 2310 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [1,0,0,0,0,0|1,0,1]=3 2311 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [1,0,0,0,0,0|1,0,1]=3 2312 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [1,0,0,0,0,0|1,0,1]=3 2313 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [1,0,0,0,0,0|3,0,0]=4 2314 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [1,0,0,0,0,0|2,0,1]=4 2315 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [1,0,0,0,0,0|2,0,1]=4 2316 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [1,0,0,0,0,0|2,0,1]=4 2317 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [1,0,0,0,0,0|2,0,1]=4 2318 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [1,0,0,0,0,0|2,0,1]=4 2319 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [1,0,0,0,0,0|2,0,1]=4 2320 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [1,0,0,0,0,0|2,0,1]=4 2321 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [1,0,0,0,0,0|1,0,1]=3 2322 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [1,0,0,0,0,0|1,0,1]=3 2323 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [1,0,0,0,0,0|3,0,0]=4 2324 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [1,0,0,0,0,0|3,0,0]=4 2325 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [1,0,0,0,0,0|3,0,0]=4 2326 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [1,0,0,0,0,0|3,0,0]=4 2327 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [1,0,0,0,0,0|2,0,0]=3 2328 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [1,0,0,0,0,0|2,0,1]=4 2329 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [1,0,0,0,0,0|2,0,1]=4 2330 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [1,0,0,0,0,0|2,0,1]=4 2331 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [1,0,0,0,0,0|2,0,1]=4 2332 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [1,0,0,0,0,0|1,0,1]=3 2333 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [1,0,0,0,0,0|1,0,1]=3 2334 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [1,0,0,0,0,0|3,0,0]=4 2335 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [1,0,0,0,0,0|3,0,0]=4 2336 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [1,0,0,0,0,0|1,0,1]=3 2337 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [1,0,0,0,0,0|1,0,1]=3 2338 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [1,0,0,0,0,0|1,0,1]=3 2339 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [1,0,0,0,0,0|1,0,1]=3 2340 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [1,0,0,0,0,0|2,0,1]=4 2341 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [1,0,0,0,0,0|2,0,1]=4 2342 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [1,0,0,0,0,0|2,0,1]=4 2343 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [1,0,0,0,0,0|2,0,1]=4 2344 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [1,0,0,0,0,0|2,0,1]=4 2345 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [1,0,0,0,0,0|2,0,1]=4 2346 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [1,0,0,0,0,0|1,0,1]=3 2347 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [1,0,0,0,0,0|1,0,1]=3 2348 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [1,0,0,0,0,0|2,0,1]=4 2349 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [1,0,0,0,0,0|2,0,1]=4 2350 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [1,0,0,0,0,0|2,0,0]=3 2351 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [1,0,0,0,0,0|2,0,1]=4 2352 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [1,0,0,0,0,0|2,0,1]=4 2353 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [1,0,0,0,0,0|2,0,0]=3 2354 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [1,0,0,0,0,0|2,0,1]=4 2355 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [1,0,0,0,0,0|2,0,1]=4 2356 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [1,0,0,0,0,0|2,0,1]=4 2357 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [1,0,0,0,0,0|2,0,1]=4 2358 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [1,0,0,0,0,0|2,0,0]=3 2359 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [1,0,0,0,0,0|2,0,1]=4 2360 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [1,0,0,0,0,0|2,0,1]=4 2361 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [1,0,0,0,0,0|3,0,0]=4 2362 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [1,0,0,0,0,0|3,0,0]=4 2363 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [1,0,0,0,0,0|2,0,0]=3 2364 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [1,0,0,0,0,0|2,0,0]=3 2365 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [1,0,0,0,0,0|2,0,1]=4 2366 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [1,0,0,0,0,0|2,0,1]=4 2367 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [1,0,0,0,0,0|2,0,1]=4 2368 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [1,0,0,0,0,0|2,0,1]=4 2369 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [1,0,0,0,0,0|2,0,0]=3 2370 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [1,0,0,0,0,0|2,0,0]=3 2371 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [1,0,0,0,0,0|2,0,1]=4 2372 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [1,0,0,0,0,0|2,0,1]=4 2373 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [1,0,0,0,0,0|1,0,1]=3 2374 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [1,0,0,0,0,0|1,0,1]=3 2375 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [1,0,0,0,0,0|2,0,0]=3 2376 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [1,0,0,0,0,0|2,0,1]=4 2377 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [1,0,0,0,0,0|2,0,0]=3 2378 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [1,0,0,0,0,0|2,0,1]=4 2379 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [1,0,0,0,0,0|2,0,1]=4 2380 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,0,0,0,0,0|1,0,1]=3 2381 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,0,0,0,0,0|1,0,1]=3 2382 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,0,0,0,0,0|2,0,1]=4 2383 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,0,0,0,0,0|2,0,1]=4 2384 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [1,0,0,0,0,0|2,0,1]=4 2385 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [1,0,0,0,0,0|2,0,1]=4 2386 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [1,0,0,0,0,0|2,0,1]=4 2387 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,0,0,0,0,0|1,0,1]=3 2388 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [1,0,0,0,0,0|2,0,0]=3 2389 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [1,0,0,0,0,0|2,0,1]=4 2390 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [1,0,0,0,0,0|2,0,1]=4 2391 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [1,0,0,0,0,0|2,0,0]=3 2392 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [1,0,0,0,0,0|2,0,1]=4 2393 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [1,0,0,0,0,0|2,0,1]=4 2394 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [1,0,0,0,0,0|2,0,1]=4 2395 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [1,0,0,0,0,0|2,0,1]=4 2396 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [1,0,0,0,0,0|2,0,0]=3 2397 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [1,0,0,0,0,0|2,0,1]=4 2398 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [1,0,0,0,0,0|2,0,1]=4 2399 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [1,0,0,0,0,0|2,0,0]=3 2400 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [1,0,0,0,0,0|2,0,0]=3 2401 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [1,0,0,0,0,0|2,0,1]=4 2402 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [1,0,0,0,0,0|2,0,1]=4 2403 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,0,0,0,0,0|1,0,1]=3 2404 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,0,0,0,0,0|1,0,1]=3 2405 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [1,0,0,0,0,0|2,0,0]=3 2406 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [1,0,0,0,0,0|2,0,1]=4 2407 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [1,0,0,0,0,0|2,0,0]=3 2408 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [1,0,0,0,0,0|2,0,1]=4 2409 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [1,0,0,0,0,0|2,0,1]=4 2410 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,0,0,0,0,0|1,0,1]=3 2411 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,0,0,0,0,0|1,0,1]=3 2412 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,0,0,0,0,0|1,0,1]=3 2413 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [1,0,0,0,0,0|2,0,1]=4 2414 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [1,0,0,0,0,0|2,0,1]=4 2415 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [1,0,0,0,0,0|2,0,1]=4 2416 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [1,0,0,0,0,0|2,0,1]=4 2417 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [1,0,0,0,0,0|2,0,1]=4 2418 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,0,0,0,0,0|1,0,1]=3 2419 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [1,0,0,0,0,0|3,0,0]=4 2420 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [1,0,0,0,0,0|3,0,0]=4 2421 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [1,0,0,0,0,0|3,0,0]=4 2422 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [1,0,0,0,0,0|3,0,0]=4 2423 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [1,0,0,0,0,0|2,0,0]=3 2424 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [1,0,0,0,0,0|2,0,1]=4 2425 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [1,0,0,0,0,0|2,0,1]=4 2426 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [1,0,0,0,0,0|2,0,1]=4 2427 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [1,0,0,0,0,0|2,0,1]=4 2428 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [1,0,0,0,0,0|2,0,0]=3 2429 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [1,0,0,0,0,0|2,0,1]=4 2430 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [1,0,0,0,0,0|2,0,1]=4 2431 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [1,0,0,0,0,0|2,0,0]=3 2432 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [1,0,0,0,0,0|2,0,0]=3 2433 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [1,0,0,0,0,0|2,0,1]=4 2434 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [1,0,0,0,0,0|2,0,1]=4 2435 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [1,0,0,0,0,0|2,0,1]=4 2436 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [1,0,0,0,0,0|2,0,1]=4 2437 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [1,0,0,0,0,0|2,0,1]=4 2438 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [1,0,0,0,0,0|2,0,1]=4 2439 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [1,0,0,0,0,0|2,0,1]=4 2440 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [1,0,0,0,0,0|2,0,1]=4 2441 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [1,0,0,0,0,0|3,0,0]=4 2442 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [1,0,0,0,0,0|3,0,0]=4 2443 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [1,0,0,0,0,0|3,0,0]=4 2444 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [1,0,0,0,0,0|3,0,0]=4 2445 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [1,0,0,0,0,0|2,0,1]=4 2446 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [1,0,0,0,0,0|2,0,1]=4 2447 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [1,0,0,0,0,0|2,0,1]=4 2448 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [1,0,0,0,0,0|2,0,1]=4 2449 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,0,0,0,0,0|1,0,1]=3 2450 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,0,0,0,0,0|1,0,1]=3 2451 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [1,0,0,0,0,0|2,0,0]=3 2452 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [1,0,0,0,0,0|2,0,1]=4 2453 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [1,0,0,0,0,0|2,0,1]=4 2454 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [1,0,0,0,0,0|2,0,1]=4 2455 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [1,0,0,0,0,0|2,0,1]=4 2456 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [1,0,0,0,0,0|2,0,1]=4 2457 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [1,0,0,0,0,0|2,0,1]=4 2458 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [1,0,0,0,0,0|2,0,1]=4 2459 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [1,0,0,0,0,0|2,0,1]=4 2460 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [1,0,0,0,0,0|2,0,1]=4 2461 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [1,0,0,0,0,0|1,0,1]=3 2462 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [1,0,0,0,0,0|1,0,1]=3 2463 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [1,0,0,0,0,0|1,0,1]=3 2464 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [1,0,0,0,0,0|2,0,1]=4 2465 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [1,0,0,0,0,0|2,0,1]=4 2466 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [1,0,0,0,0,0|2,0,1]=4 2467 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [1,0,0,0,0,0|2,0,1]=4 2468 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [1,0,0,0,0,0|1,0,1]=3 2469 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [1,0,0,0,0,0|2,0,1]=4 2470 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [1,0,0,0,0,0|2,0,1]=4 2471 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,0,0,0,0,0|2,0,0]=3 2472 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [1,0,0,0,0,0|2,0,1]=4 2473 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [1,0,0,0,0,0|2,0,1]=4 2474 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,0,0,0,0,0|2,0,0]=3 2475 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,0,0,0,0,0|2,0,0]=3 2476 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [1,0,0,0,0,0|2,0,1]=4 2477 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [1,0,0,0,0,0|2,0,1]=4 2478 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,0,0,0,0,0|2,0,0]=3 2479 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [1,0,0,0,0,0|2,0,1]=4 2480 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [1,0,0,0,0,0|2,0,1]=4 2481 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [1,0,0,0,0,0|2,0,1]=4 2482 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [1,0,0,0,0,0|2,0,1]=4 2483 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [1,0,0,0,0,0|2,0,1]=4 2484 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,0,0,0,0,0|2,0,0]=3 2485 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,0,0,0,0,0|2,0,0]=3 2486 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [1,0,0,0,0,0|2,0,1]=4 2487 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [1,0,0,0,0,0|2,0,1]=4 2488 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [1,0,0,0,0,0|2,0,1]=4 2489 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [1,0,0,0,0,0|2,0,1]=4 2490 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [1,0,0,0,0,0|2,0,1]=4 2491 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [1,0,0,0,0,0|2,0,1]=4 2492 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [1,0,0,0,0,0|2,0,1]=4 2493 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [1,0,0,0,0,0|2,0,1]=4 2494 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [1,0,0,0,0,0|2,0,1]=4 2495 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [1,0,0,0,0,0|2,0,1]=4 2496 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [1,0,0,0,0,0|2,0,1]=4 2497 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [1,0,0,0,0,0|2,0,1]=4 2498 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [1,0,0,0,0,0|3,0,0]=4 2499 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [1,0,0,0,0,0|3,0,0]=4 2500 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [1,0,0,0,0,0|3,0,0]=4 2501 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [1,0,0,0,0,0|3,0,0]=4 2502 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [1,0,0,0,0,0|3,0,0]=4 2503 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [1,0,0,0,0,0|3,0,0]=4 2504 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [1,0,0,0,0,0|3,0,0]=4 2505 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [1,0,0,0,0,0|3,0,0]=4 2506 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [1,0,0,0,0,0|3,0,0]=4 2507 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [1,0,0,0,0,0|2,0,1]=4 2508 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [1,0,0,0,0,0|2,0,1]=4 2509 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [1,0,0,0,0,0|2,0,1]=4 2510 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [1,0,0,0,0,0|2,0,1]=4 2511 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [1,0,0,0,0,0|2,0,1]=4 2512 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [1,0,0,0,0,0|1,0,1]=3 2513 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [1,0,0,0,0,0|2,0,0]=3 2514 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [1,0,0,0,0,0|2,0,1]=4 2515 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [1,0,0,0,0,0|2,0,1]=4 2516 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [1,0,0,0,0,0|2,0,1]=4 2517 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [1,0,0,0,0,0|2,0,1]=4 2518 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [1,0,0,0,0,0|2,0,1]=4 2519 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [1,0,0,0,0,0|2,0,1]=4 2520 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [1,0,0,0,0,0|2,0,1]=4 2521 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [1,0,0,0,0,0|2,0,1]=4 2522 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [1,0,0,0,0,0|2,0,1]=4 2523 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [1,0,0,0,0,0|2,0,1]=4 2524 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [1,0,0,0,0,0|2,0,1]=4 2525 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [1,0,0,0,0,0|2,0,1]=4 2526 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [1,0,0,0,0,0|2,0,1]=4 2527 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [1,0,0,0,0,0|2,0,1]=4 2528 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [1,0,0,0,0,0|2,0,1]=4 2529 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [1,0,0,0,0,0|2,0,1]=4 2530 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [1,0,0,0,0,0|2,0,1]=4 2531 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [1,0,0,0,0,0|2,0,1]=4 2532 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [1,0,0,0,0,0|2,0,1]=4 2533 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [1,0,0,0,0,0|2,0,1]=4 2534 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [1,0,0,0,0,0|2,0,1]=4 2535 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [1,0,0,0,0,0|2,0,1]=4 2536 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [1,0,0,0,0,0|2,0,0]=3 2537 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 2538 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 2539 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [1,0,0,0,0,0|2,0,1]=4 2540 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 2541 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 2542 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 2543 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [1,0,0,0,0,0|2,0,1]=4 2544 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [1,0,0,0,0,0|2,0,1]=4 2545 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [1,0,0,0,0,0|2,0,0]=3 2546 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [1,0,0,0,0,0|3,0,0]=4 2547 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [1,0,0,0,0,0|3,0,0]=4 2548 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [1,0,0,0,0,0|2,0,0]=3 2549 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [1,0,0,0,0,0|2,0,0]=3 2550 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [1,0,0,0,0,0|2,0,0]=3 2551 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [1,0,0,0,0,0|3,0,0]=4 2552 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [1,0,0,0,0,0|3,0,0]=4 2553 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [1,0,0,0,0,0|3,0,0]=4 2554 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [1,0,0,0,0,0|3,0,0]=4 2555 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [1,0,0,0,0,0|2,0,1]=4 2556 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [1,0,0,0,0,0|2,0,1]=4 2557 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [1,0,0,0,0,0|2,0,0]=3 2558 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [1,0,0,0,0,0|2,0,0]=3 2559 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [1,0,0,0,0,0|2,0,0]=3 2560 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [1,0,0,0,0,0|2,0,0]=3 2561 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [1,0,0,0,0,0|3,0,0]=4 2562 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [1,0,0,0,0,0|3,0,0]=4 2563 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [1,0,0,0,0,0|2,0,0]=3 2564 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [1,0,0,0,0,0|2,0,0]=3 2565 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [1,0,0,0,0,0|2,0,0]=3 2566 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [1,0,0,0,0,0|2,0,0]=3 2567 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [1,0,0,0,0,0|2,0,0]=3 2568 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [1,0,0,0,0,0|2,0,0]=3 2569 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [1,0,0,0,0,0|2,0,0]=3 2570 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [1,0,0,0,0,0|2,0,0]=3 2571 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [1,0,0,0,0,0|2,0,0]=3 2572 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [1,0,0,0,0,0|3,0,0]=4 2573 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [1,0,0,0,0,0|2,0,0]=3 2574 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [1,0,0,0,0,0|2,0,0]=3 2575 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [1,0,0,0,0,0|2,0,0]=3 2576 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [1,0,0,0,0,0|2,0,0]=3 2577 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [1,0,0,0,0,0|2,0,0]=3 2578 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [1,0,0,0,0,0|2,0,0]=3 2579 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [1,0,0,0,0,0|2,0,0]=3 2580 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [1,0,0,0,0,0|2,0,0]=3 2581 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [1,0,0,0,0,0|2,0,0]=3 2582 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [1,0,0,0,0,0|2,0,0]=3 2583 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [1,0,0,0,0,0|2,0,0]=3 2584 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [1,0,0,0,0,0|2,0,1]=4 2585 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [1,0,0,0,0,0|2,0,1]=4 2586 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [1,0,0,0,0,0|2,0,1]=4 2587 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [1,0,0,0,0,0|2,0,1]=4 2588 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [1,0,0,0,0,0|2,0,1]=4 2589 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [1,0,0,0,0,0|2,0,1]=4 2590 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 2591 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [1,0,0,0,0,0|2,0,1]=4 2592 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 2593 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [1,0,0,0,0,0|2,0,1]=4 2594 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [1,0,0,0,0,0|2,0,1]=4 2595 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [1,0,0,0,0,0|2,0,1]=4 2596 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [1,0,0,0,0,0|2,0,1]=4 2597 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [1,0,0,0,0,0|2,0,1]=4 2598 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [1,0,0,0,0,0|2,0,1]=4 2599 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [1,0,0,0,0,0|2,0,1]=4 2600 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [1,0,0,0,0,0|2,0,1]=4 2601 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [1,0,0,0,0,0|2,0,1]=4 2602 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [1,0,0,0,0,0|2,0,1]=4 2603 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 2604 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 2605 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [1,0,0,0,0,0|2,0,1]=4 2606 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [1,0,0,0,0,0|2,0,1]=4 2607 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [1,0,0,0,0,0|2,0,1]=4 2608 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [1,0,0,0,0,0|2,0,1]=4 2609 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [1,0,0,0,0,0|2,0,1]=4 2610 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [1,0,0,0,0,0|2,0,1]=4 2611 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [1,0,0,0,0,0|2,0,1]=4 2612 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [1,0,0,0,0,0|2,0,1]=4 2613 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [1,0,0,0,0,0|2,0,1]=4 2614 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 2615 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [1,0,0,0,0,0|2,0,1]=4 2616 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 2617 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [1,0,0,0,0,0|2,0,1]=4 2618 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [1,0,0,0,0,0|2,0,1]=4 2619 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [1,0,0,0,0,0|2,0,1]=4 2620 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [1,0,0,0,0,0|2,0,1]=4 2621 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [1,0,0,0,0,0|2,0,1]=4 2622 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [1,0,0,0,0,0|2,0,1]=4 2623 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [1,0,0,0,0,0|2,0,1]=4 2624 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [1,0,0,0,0,0|2,0,1]=4 2625 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [1,0,0,0,0,0|2,0,1]=4 2626 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [1,0,0,0,0,0|2,0,1]=4 2627 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [1,0,0,0,0,0|2,0,1]=4 2628 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [1,0,0,0,0,0|2,0,1]=4 2629 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [1,0,0,0,0,0|2,0,1]=4 2630 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 2631 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 2632 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 2633 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 2634 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [1,0,0,0,0,0|2,0,1]=4 2635 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [1,0,0,0,0,0|2,0,1]=4 2636 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [1,0,0,0,0,0|2,0,1]=4 2637 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [1,0,0,0,0,0|2,0,1]=4 2638 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [1,0,0,0,0,0|2,0,1]=4 2639 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [1,0,0,0,0,0|2,0,1]=4 2640 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [1,0,0,0,0,0|2,0,1]=4 2641 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [1,0,0,0,0,0|2,0,1]=4 2642 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [1,0,0,0,0,0|2,0,1]=4 2643 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [1,0,0,0,0,0|2,0,1]=4 2644 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [1,0,0,0,0,0|2,0,1]=4 2645 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [1,0,0,0,0,0|2,0,1]=4 2646 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [1,0,0,0,0,0|2,0,1]=4 2647 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [1,0,0,0,0,0|2,0,1]=4 2648 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [1,0,0,0,0,0|2,0,1]=4 2649 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [1,0,0,0,0,0|2,0,1]=4 2650 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [1,0,0,0,0,0|2,0,1]=4 2651 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [1,0,0,0,0,0|2,0,1]=4 2652 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [1,0,0,0,0,0|2,0,1]=4 2653 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [1,0,0,0,0,0|2,0,1]=4 2654 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [1,0,0,0,0,0|2,0,1]=4 2655 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [1,0,0,0,0,0|2,0,1]=4 2656 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [1,0,0,0,0,0|2,0,1]=4 2657 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [1,0,0,0,0,0|2,0,1]=4 2658 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [1,0,0,0,0,0|2,0,1]=4 2659 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [1,0,0,0,0,0|2,0,1]=4 2660 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [1,0,0,0,0,0|2,0,1]=4 2661 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [1,0,0,0,0,0|2,0,1]=4 2662 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,0,0,0,0,0|2,0,1]=4 2663 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,0,0,0,0,0|2,0,1]=4 2664 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [1,0,0,0,0,0|2,0,1]=4 2665 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [1,0,0,0,0,0|2,0,1]=4 2666 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [1,0,0,0,0,0|1,0,1]=3 2667 B15R0.69 C#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012276617 [0,1,0,0,0,0|1,0,2]=4 2668 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000207566_100000748629 [0,1,0,0,0,0|3,0,0]=4 2669 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000225649_100000210320 [0,1,0,0,0,0|3,0,0]=4 2670 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000207566_100000748629 [0,1,0,0,0,0|3,0,0]=4 2671 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000225649_100000210320 [0,1,0,0,0,0|3,0,0]=4 2672 B15R0.69 C=C(F)CC(=O)CCCCCCCCCC 1458a_100000210375_100009893438 [0,1,0,0,0,0|2,0,1]=4 2673 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 2230a_100000207566_100009893438 [0,1,0,0,0,0|3,0,0]=4 2674 B15R0.69 C=C(F)CN(C)CCCCCCCCCC 269982a_100000207566_100009893438 [0,1,0,0,0,0|3,0,0]=4 2675 B15R0.69 C=CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011933949 [0,1,0,0,0,0|1,0,2]=4 2676 B15R0.69 C=CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215473 [0,1,0,0,0,0|1,0,2]=4 2677 B15R0.69 CCC#CCCCCCCN(C)CC(=O)O 269956a_100000746989_200000036426 [0,1,0,0,0,0|1,0,2]=4 2678 B15R0.69 CCCCCC#CCNCC(O)CC(=O)O 269956a_100011218706_100009816472 [0,1,0,0,0,0|1,0,2]=4 2679 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,1,0,0,0,0|1,0,1]=3 2680 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,1,0,0,0,0|1,0,1]=3 2681 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,1,0,0,0,0|0,0,2]=3 2682 B15R0.69 CCCCCCCCCCC(=O)CC(C)O 1458a_100000210375_100011218427 [0,1,0,0,0,0|1,0,2]=4 2683 B15R0.69 CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210319 [0,1,0,0,0,0|1,0,2]=4 2684 B15R0.69 CCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210375_100000761209 [0,1,0,0,0,0|1,0,2]=4 2685 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,1,0,0,0,0|2,0,0]=3 2686 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,1,0,0,0,0|2,0,0]=3 2687 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,1,0,0,0,0|2,0,0]=3 2688 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,1,0,0,0,0|1,0,0]=2 2689 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,1,0,0,0,0|1,0,1]=3 2690 B15R0.69 CCCCCCCCCCN(C)CC(C)O 2230a_100000207566_100011218427 [0,1,0,0,0,0|2,0,1]=4 2691 B15R0.69 CCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210320 [0,1,0,0,0,0|2,0,1]=4 2692 B15R0.69 CCCCCCCCCCN(C)CC(C)O 269982a_100000207566_100011218427 [0,1,0,0,0,0|2,0,1]=4 2693 B15R0.69 CCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210320 [0,1,0,0,0,0|2,0,1]=4 2694 B15R0.69 CCCCCCCCCCN(C)C[C@@H](C)O 2230a_100000207566_100009817552 [0,1,0,0,0,0|2,0,1]=4 2695 B15R0.69 CCCCCCCCCCN(C)C[C@@H](C)O 269982a_100000207566_100009817552 [0,1,0,0,0,0|2,0,1]=4 2696 B15R0.69 CCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207566_100000761209 [0,1,0,0,0,0|2,0,1]=4 2697 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 240690a_100000212291_100134613110 [0,1,0,0,0,0|2,0,1]=4 2698 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 527a_100000212291_100134613110 [0,1,0,0,0,0|2,0,1]=4 2699 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [0,1,0,0,0,0|3,0,0]=4 2700 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,1,0,0,0,0|1,0,0]=2 2701 B15R0.69 CCCCCCCCOCC(=O)CC(=O)N 1458a_100000759886_100000187820 [0,1,0,0,0,0|2,0,1]=4 2702 B15R0.69 CCCCCCCCOCC(=O)CC(=O)[O-] 1458a_100000759886_100020667443 [0,1,0,0,0,0|1,0,2]=4 2703 B15R0.69 CCOCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011211534 [0,1,0,0,0,0|3,0,0]=4 2704 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,1,0,0,0,0|3,0,0]=4 2705 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,1,0,0,0,0|2,0,0]=3 2706 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,1,0,0,0,0|2,0,0]=3 2707 B15R0.69 COCCOCCCNCC(O)CC(=O)O 269956a_100011218706_100011216529 [0,1,0,0,0,0|3,0,0]=4 2708 B15R0.69 N#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813337 [0,1,0,0,0,0|2,0,1]=4 2709 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,1,0,0,0,0|2,0,1]=4 2710 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,1,0,0,0,0|2,0,1]=4 2711 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,1,0,0,0,0|2,0,0]=3 2712 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,1,0,0,0,0|1,0,2]=4 2713 B15R0.81 C#CC(=O)CCCCCCC#CCCCC 1458a_100000211873_200000043322 [0,1,0,0,0,0|1,0,2]=4 2714 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,1,0,0,0,0|1,0,2]=4 2715 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,1,0,0,0,0|1,0,0]=2 2716 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,1,0,0,0,0|2,0,0]=3 2717 B15R0.81 C#CC(O)CCCCCNCCCCCC 2230a_100000210581_200010408556 [0,1,0,0,0,0|2,0,1]=4 2718 B15R0.81 C#CC(O)CCCCCOCCCCCC 34a_100000210259_200010408556 [0,1,0,0,0,0|2,0,1]=4 2719 B15R0.81 C#CC(O)CCCCCOCCCCCC 7a_100000210259_200010408556 [0,1,0,0,0,0|2,0,1]=4 2720 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_100000210314_200010408556 [0,1,0,0,0,0|2,0,1]=4 2721 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_200010408556_100000210757 [0,1,0,0,0,0|2,0,1]=4 2722 B15R0.81 C#CCCCCCCCCOCC(=O)OC 34a_100000065265_100000747449 [0,1,0,0,0,0|1,0,2]=4 2723 B15R0.81 C#CCCCCCCCCOCC(=O)OC 7a_100000065265_100000747449 [0,1,0,0,0,0|1,0,2]=4 2724 B15R0.81 C#CCCCCCCCOCCC(=O)OC 34a_100000054614_100000742370 [0,1,0,0,0,0|1,0,2]=4 2725 B15R0.81 C#CCCCCCCCOCCC(=O)OC 7a_100000054614_100000204255 [0,1,0,0,0,0|1,0,2]=4 2726 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100000204255_100153394163 [0,1,0,0,0,0|1,0,2]=4 2727 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100153394163_100000204255 [0,1,0,0,0,0|1,0,2]=4 2728 B15R0.81 C#CCCCCCCOCCCC(=O)OC 34a_100011217361_100000742333 [0,1,0,0,0,0|1,0,2]=4 2729 B15R0.81 C#CCCCCCCOCCCC(=O)OC 7a_100011217361_100011218270 [0,1,0,0,0,0|1,0,2]=4 2730 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100011218270_100012276617 [0,1,0,0,0,0|1,0,2]=4 2731 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100012276617_100011218270 [0,1,0,0,0,0|1,0,2]=4 2732 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000059025_100012094781 [0,1,0,0,0,0|1,0,2]=4 2733 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000766912_100000204269 [0,1,0,0,0,0|1,0,2]=4 2734 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000059025_100012094781 [0,1,0,0,0,0|1,0,2]=4 2735 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000766912_100000204269 [0,1,0,0,0,0|1,0,2]=4 2736 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100000204269_100012094781 [0,1,0,0,0,0|1,0,2]=4 2737 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100012094781_100000204269 [0,1,0,0,0,0|1,0,2]=4 2738 B15R0.81 C#CCCCCNCCCCCC(=O)OC 2230a_100000706060_100009816466 [0,1,0,0,0,0|1,0,2]=4 2739 B15R0.81 C#CCCCCNCCCCCC(=O)OC 34a_100000706060_100009816466 [0,1,0,0,0,0|1,0,2]=4 2740 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000074720_100010269958 [0,1,0,0,0,0|1,0,2]=4 2741 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000766709_100009816466 [0,1,0,0,0,0|1,0,2]=4 2742 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000074720_100010269958 [0,1,0,0,0,0|1,0,2]=4 2743 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000766709_100009816466 [0,1,0,0,0,0|1,0,2]=4 2744 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100009816466_100010269958 [0,1,0,0,0,0|1,0,2]=4 2745 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100010269958_100009816466 [0,1,0,0,0,0|1,0,2]=4 2746 B15R0.81 C#CCCCNCCCCCCC(=O)OC 34a_100000718082_100009815986 [0,1,0,0,0,0|1,0,2]=4 2747 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100000215630_100009815986 [0,1,0,0,0,0|1,0,2]=4 2748 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100009863599_100000695029 [0,1,0,0,0,0|1,0,2]=4 2749 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100000215630_100009815986 [0,1,0,0,0,0|1,0,2]=4 2750 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100009863599_100011215417 [0,1,0,0,0,0|1,0,2]=4 2751 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100009815986_100011215417 [0,1,0,0,0,0|1,0,2]=4 2752 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100011215417_100009815986 [0,1,0,0,0,0|1,0,2]=4 2753 B15R0.81 C#CCCNCCCCCCCC(=O)OC 34a_100000755551_100010004213 [0,1,0,0,0,0|1,0,2]=4 2754 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011022521_100000688953 [0,1,0,0,0,0|1,0,2]=4 2755 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011215631_100010004213 [0,1,0,0,0,0|1,0,2]=4 2756 B15R0.81 C#CCCOCCCCCCCC(=O)OC 7a_100011022521_100000688953 [0,1,0,0,0,0|1,0,2]=4 2757 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100000688953_100010004213 [0,1,0,0,0,0|1,0,2]=4 2758 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100010004213_100000688953 [0,1,0,0,0,0|1,0,2]=4 2759 B15R0.81 C#CCNCCCCCCCCC(=O)OC 34a_100000212058_100010282707 [0,1,0,0,0,0|1,0,2]=4 2760 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000184674 [0,1,0,0,0,0|1,0,2]=4 2761 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000210247_100010282707 [0,1,0,0,0,0|1,0,2]=4 2762 B15R0.81 C#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000038162 [0,1,0,0,0,0|1,0,2]=4 2763 B15R0.81 C#CCSCCCCCCCCC(=O)OC 62a_100000038162_100010282707 [0,1,0,0,0,0|1,0,2]=4 2764 B15R0.81 C/C=C/CCOCCCCCCC(=O)OC 34a_100016278192_100009815986 [0,1,0,0,0,0|1,0,2]=4 2765 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 34a_100011022521_100102629194 [0,1,0,0,0,0|1,0,2]=4 2766 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 34a_100016270725_100010004213 [0,1,0,0,0,0|1,0,2]=4 2767 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 7a_100011022521_100102629194 [0,1,0,0,0,0|1,0,2]=4 2768 B15R0.81 C/C=C/CSCCCCCCCC(=O)OC 62a_100010004213_100102629194 [0,1,0,0,0,0|1,0,2]=4 2769 B15R0.81 C/C=C/CSCCCCCCCC(=O)OC 62a_100102629194_100010004213 [0,1,0,0,0,0|1,0,2]=4 2770 B15R0.81 C=C(C#N)CNCCCCCCCCCC 2230a_100000684558_100000694840 [0,1,0,0,0,0|3,0,0]=4 2771 B15R0.81 C=C(C#N)CNCCCCCCCCCC 34a_100000684558_100000694840 [0,1,0,0,0,0|3,0,0]=4 2772 B15R0.81 C=C(C#N)COCCCCCCCCCC 34a_100000210711_100000694840 [0,1,0,0,0,0|3,0,0]=4 2773 B15R0.81 C=CC(=O)CCCCCCC#CCCCC 1458a_100000185746_200000043322 [0,1,0,0,0,0|1,0,2]=4 2774 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,1,0,0,0,0|2,0,0]=3 2775 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,1,0,0,0,0|2,0,0]=3 2776 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,1,0,0,0,0|2,0,0]=3 2777 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,1,0,0,0,0|3,0,0]=4 2778 B15R0.81 C=CC(=O)NCCCCOCCCCCC 34a_100014118770_100000210314 [0,1,0,0,0,0|3,0,0]=4 2779 B15R0.81 C=CC(=O)NCCNCCCCCCCC 2230a_114873766552_100000210759 [0,1,0,0,0,0|3,0,0]=4 2780 B15R0.81 C=CC(=O)NCCOCCCCCCCC 34a_100011304386_100000210759 [0,1,0,0,0,0|3,0,0]=4 2781 B15R0.81 C=CC(=O)OCCCCCCNCCCC 2230a_100000102301_100009894100 [0,1,0,0,0,0|3,0,0]=4 2782 B15R0.81 C=CC(=O)OCCCCCCNCCCC 7a_106832991798_100009894100 [0,1,0,0,0,0|3,0,0]=4 2783 B15R0.81 C=CC(=O)OCCCCCCOCCCC 34a_100000210227_100009894100 [0,1,0,0,0,0|3,0,0]=4 2784 B15R0.81 C=CC(=O)OCCCCCCOCCCC 7a_100000210227_100009894100 [0,1,0,0,0,0|3,0,0]=4 2785 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100000210211_100009894100 [0,1,0,0,0,0|3,0,0]=4 2786 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100009894100_100000210210 [0,1,0,0,0,0|3,0,0]=4 2787 B15R0.81 C=CC(=O)OCCCCCOCCCCC 7a_200011023508_100000210326 [0,1,0,0,0,0|3,0,0]=4 2788 B15R0.81 C=CC(=O)OCCNCCCCCCCC 2230a_100000229939_100009813456 [0,1,0,0,0,0|3,0,0]=4 2789 B15R0.81 C=CC(=O)OCCNCCCCCCCC 34a_100000229939_100009813456 [0,1,0,0,0,0|3,0,0]=4 2790 B15R0.81 C=CC(=O)OCCOCCCCCCCC 34a_100000210232_100009813456 [0,1,0,0,0,0|3,0,0]=4 2791 B15R0.81 C=CC(=O)OCCOCCCCCCCC 7a_100000210232_100009813456 [0,1,0,0,0,0|3,0,0]=4 2792 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100000210759_100009813456 [0,1,0,0,0,0|3,0,0]=4 2793 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100009813456_100000210317 [0,1,0,0,0,0|3,0,0]=4 2794 B15R0.81 C=CC(O)CNCCCCCCCCCC 2230a_100000684558_100000730141 [0,1,0,0,0,0|2,0,1]=4 2795 B15R0.81 C=CC(O)CNCCCCCCCCCC 34a_100000684558_100000730141 [0,1,0,0,0,0|2,0,1]=4 2796 B15R0.81 C=CC(O)COCCCCCCCCCC 34a_100000210711_100000730141 [0,1,0,0,0,0|2,0,1]=4 2797 B15R0.81 C=CC(O)COCCCCCCCCCC 7a_100000210711_100000730141 [0,1,0,0,0,0|2,0,1]=4 2798 B15R0.81 C=CC(O)CSCCCCCCCCCC 62a_100000730141_100000210320 [0,1,0,0,0,0|2,0,1]=4 2799 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,1,0,0,0,0|1,0,2]=4 2800 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,1,0,0,0,0|0,0,2]=3 2801 B15R0.81 C=CCCCCCCCCCNC(=O)CO 240690a_100000081888_100000210174 [0,1,0,0,0,0|1,0,2]=4 2802 B15R0.81 C=CCCCCCCCCCNC(=O)CO 527a_100000081888_100000210174 [0,1,0,0,0,0|1,0,2]=4 2803 B15R0.81 C=CCCCCCCCCOCC(=O)OC 34a_100011215194_100000747449 [0,1,0,0,0,0|1,0,2]=4 2804 B15R0.81 C=CCCCCCCCCOCC(=O)OC 7a_100011215194_100000747449 [0,1,0,0,0,0|1,0,2]=4 2805 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100000747449_100011933949 [0,1,0,0,0,0|1,0,2]=4 2806 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100011933949_100000747449 [0,1,0,0,0,0|1,0,2]=4 2807 B15R0.81 C=CCCCCCCCOCCC(=O)OC 34a_100000730831_100000742370 [0,1,0,0,0,0|1,0,2]=4 2808 B15R0.81 C=CCCCCCCCOCCC(=O)OC 7a_100000730831_100000204255 [0,1,0,0,0,0|1,0,2]=4 2809 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100000204255_100012355270 [0,1,0,0,0,0|1,0,2]=4 2810 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100012355270_100000204255 [0,1,0,0,0,0|1,0,2]=4 2811 B15R0.81 C=CCCCCCCOCCCC(=O)OC 34a_200011216477_100000742333 [0,1,0,0,0,0|1,0,2]=4 2812 B15R0.81 C=CCCCCCCOCCCC(=O)OC 7a_200011216477_100011218270 [0,1,0,0,0,0|1,0,2]=4 2813 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011215473_100011218270 [0,1,0,0,0,0|1,0,2]=4 2814 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011218270_100011215473 [0,1,0,0,0,0|1,0,2]=4 2815 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100000059025_100000700193 [0,1,0,0,0,0|1,0,2]=4 2816 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100011216702_100000204269 [0,1,0,0,0,0|1,0,2]=4 2817 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100000059025_100000700193 [0,1,0,0,0,0|1,0,2]=4 2818 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100011216702_100000204269 [0,1,0,0,0,0|1,0,2]=4 2819 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000204269_100000700193 [0,1,0,0,0,0|1,0,2]=4 2820 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000700193_100000204269 [0,1,0,0,0,0|1,0,2]=4 2821 B15R0.81 C=CCCCCNCCCCCC(=O)OC 2230a_100000703577_100009816466 [0,1,0,0,0,0|1,0,2]=4 2822 B15R0.81 C=CCCCCNCCCCCC(=O)OC 34a_100000703577_100009816466 [0,1,0,0,0,0|1,0,2]=4 2823 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000074720_100011215482 [0,1,0,0,0,0|1,0,2]=4 2824 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000766645_100009816466 [0,1,0,0,0,0|1,0,2]=4 2825 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000074720_100011215482 [0,1,0,0,0,0|1,0,2]=4 2826 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000766645_100009816466 [0,1,0,0,0,0|1,0,2]=4 2827 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100009816466_100011215482 [0,1,0,0,0,0|1,0,2]=4 2828 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100011215482_100009816466 [0,1,0,0,0,0|1,0,2]=4 2829 B15R0.81 C=CCCCNCCCCCCC(=O)OC 2230a_100000700776_100009815986 [0,1,0,0,0,0|1,0,2]=4 2830 B15R0.81 C=CCCCNCCCCCCC(=O)OC 34a_100000700776_100009815986 [0,1,0,0,0,0|1,0,2]=4 2831 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100000758997_100009815986 [0,1,0,0,0,0|1,0,2]=4 2832 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100009863599_100000757094 [0,1,0,0,0,0|1,0,2]=4 2833 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100000758997_100009815986 [0,1,0,0,0,0|1,0,2]=4 2834 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100009863599_100000757094 [0,1,0,0,0,0|1,0,2]=4 2835 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100009815986_100000757094 [0,1,0,0,0,0|1,0,2]=4 2836 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100011713584_100009815986 [0,1,0,0,0,0|1,0,2]=4 2837 B15R0.81 C=CCCNCCCCCCCC(=O)OC 2230a_100015191253_100010004213 [0,1,0,0,0,0|1,0,2]=4 2838 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011022521_100000754431 [0,1,0,0,0,0|1,0,2]=4 2839 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011205117_100010004213 [0,1,0,0,0,0|1,0,2]=4 2840 B15R0.81 C=CCCOCCCCCCCC(=O)OC 7a_100011022521_100000754431 [0,1,0,0,0,0|1,0,2]=4 2841 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100000754431_100010004213 [0,1,0,0,0,0|1,0,2]=4 2842 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100010004213_100000754431 [0,1,0,0,0,0|1,0,2]=4 2843 B15R0.81 C=CCNCCCCCCCCC(=O)OC 2230a_100020586998_100010282707 [0,1,0,0,0,0|1,0,2]=4 2844 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_100000035544_100015514636 [0,1,0,0,0,0|1,0,2]=4 2845 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_200000210373_100010282707 [0,1,0,0,0,0|1,0,2]=4 2846 B15R0.81 C=CCOCCCCCCCCC(=O)OC 7a_100000035544_100015514636 [0,1,0,0,0,0|1,0,2]=4 2847 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100000210623_100010282707 [0,1,0,0,0,0|1,0,2]=4 2848 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210623 [0,1,0,0,0,0|1,0,2]=4 2849 B15R0.81 CC#CCCOCCCCCCC(=O)OC 34a_100000750427_100009815986 [0,1,0,0,0,0|1,0,2]=4 2850 B15R0.81 CC#CCNCCCCCCCC(=O)OC 2230a_100000685387_100010004213 [0,1,0,0,0,0|1,0,2]=4 2851 B15R0.81 CC#CCNCCCCCCCC(=O)OC 34a_100000685387_100010004213 [0,1,0,0,0,0|1,0,2]=4 2852 B15R0.81 CC#CCOCCCCCCCC(=O)OC 34a_100000761923_100010004213 [0,1,0,0,0,0|1,0,2]=4 2853 B15R0.81 CC#CCOCCCCCCCC(=O)OC 34a_100011022521_100000748600 [0,1,0,0,0,0|1,0,2]=4 2854 B15R0.81 CC#CCOCCCCCCCC(=O)OC 7a_100011022521_100000748600 [0,1,0,0,0,0|1,0,2]=4 2855 B15R0.81 CC#CCSCCCCCCCC(=O)OC 62a_100000748600_100010004213 [0,1,0,0,0,0|1,0,2]=4 2856 B15R0.81 CC#CCSCCCCCCCC(=O)OC 62a_100010004213_100000748600 [0,1,0,0,0,0|1,0,2]=4 2857 B15R0.81 CC/C=C/CCCOCCCCC(=O)OC 34a_100016287902_100000204269 [0,1,0,0,0,0|1,0,2]=4 2858 B15R0.81 CC/C=C/CCCOCCCCC(=O)OC 7a_100016287902_100000204269 [0,1,0,0,0,0|1,0,2]=4 2859 B15R0.81 CC/C=C\CCCCCOCCC(=O)OC 34a_100016268722_100000742370 [0,1,0,0,0,0|1,0,2]=4 2860 B15R0.81 CC/C=C\CCCCCOCCC(=O)OC 7a_100016268722_100000204255 [0,1,0,0,0,0|1,0,2]=4 2861 B15R0.81 CC/C=C\CCCCOCCCC(=O)OC 34a_100016287862_100000742333 [0,1,0,0,0,0|1,0,2]=4 2862 B15R0.81 CC/C=C\CCCCOCCCC(=O)OC 7a_100016287862_100011218270 [0,1,0,0,0,0|1,0,2]=4 2863 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 34a_100000074720_100015370543 [0,1,0,0,0,0|1,0,2]=4 2864 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 34a_100016288707_100009816466 [0,1,0,0,0,0|1,0,2]=4 2865 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 7a_100000074720_100015370543 [0,1,0,0,0,0|1,0,2]=4 2866 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 7a_100016288707_100009816466 [0,1,0,0,0,0|1,0,2]=4 2867 B15R0.81 CC/C=C\CCSCCCCCC(=O)OC 62a_100009816466_100015370543 [0,1,0,0,0,0|1,0,2]=4 2868 B15R0.81 CC/C=C\CCSCCCCCC(=O)OC 62a_100015370543_100009816466 [0,1,0,0,0,0|1,0,2]=4 2869 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 34a_100009863599_100103147603 [0,1,0,0,0,0|1,0,2]=4 2870 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 34a_100016268518_100009815986 [0,1,0,0,0,0|1,0,2]=4 2871 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 7a_100009863599_100103147603 [0,1,0,0,0,0|1,0,2]=4 2872 B15R0.81 CC/C=C\CSCCCCCCC(=O)OC 62a_100009815986_100103147603 [0,1,0,0,0,0|1,0,2]=4 2873 B15R0.81 CC/C=C\CSCCCCCCC(=O)OC 62a_100103147603_100009815986 [0,1,0,0,0,0|1,0,2]=4 2874 B15R0.81 CC=CCCCOCCCCCC(=O)OC 34a_100020645299_100009816466 [0,1,0,0,0,0|1,0,2]=4 2875 B15R0.81 CC=CCOCCCCCCCC(=O)OC 34a_100011022521_100000070051 [0,1,0,0,0,0|1,0,2]=4 2876 B15R0.81 CC=CCOCCCCCCCC(=O)OC 7a_100011022521_100000070051 [0,1,0,0,0,0|1,0,2]=4 2877 B15R0.81 CC=CCSCCCCCCCC(=O)OC 62a_100000070051_100010004213 [0,1,0,0,0,0|1,0,2]=4 2878 B15R0.81 CC=CCSCCCCCCCC(=O)OC 62a_100010004213_100000070051 [0,1,0,0,0,0|1,0,2]=4 2879 B15R0.81 CCC#CCCCCCCSCC(=O)OC 62a_100000747449_200000036426 [0,1,0,0,0,0|1,0,2]=4 2880 B15R0.81 CCC#CCCCCCCSCC(=O)OC 62a_200000036426_100000747449 [0,1,0,0,0,0|1,0,2]=4 2881 B15R0.81 CCC#CCCOCCCCCC(=O)OC 34a_100000036655_100009816466 [0,1,0,0,0,0|1,0,2]=4 2882 B15R0.81 CCC#CCCOCCCCCC(=O)OC 7a_100000036655_100009816466 [0,1,0,0,0,0|1,0,2]=4 2883 B15R0.81 CCC#CCOCCCCCCC(=O)OC 34a_100000032950_100009815986 [0,1,0,0,0,0|1,0,2]=4 2884 B15R0.81 CCC#CCOCCCCCCC(=O)OC 34a_100009863599_100009813939 [0,1,0,0,0,0|1,0,2]=4 2885 B15R0.81 CCC#CCOCCCCCCC(=O)OC 7a_100009863599_100009813939 [0,1,0,0,0,0|1,0,2]=4 2886 B15R0.81 CCC#CCSCCCCCCC(=O)OC 62a_100009813939_100009815986 [0,1,0,0,0,0|1,0,2]=4 2887 B15R0.81 CCC#CCSCCCCCCC(=O)OC 62a_100009815986_100009813939 [0,1,0,0,0,0|1,0,2]=4 2888 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,1,0,0,0,0|2,0,0]=3 2889 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,1,0,0,0,0|3,0,0]=4 2890 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,1,0,0,0,0|3,0,0]=4 2891 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,1,0,0,0,0|3,0,0]=4 2892 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,1,0,0,0,0|3,0,0]=4 2893 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,1,0,0,0,0|3,0,0]=4 2894 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,1,0,0,0,0|3,0,0]=4 2895 B15R0.81 CCC/C=C/COCCCCCC(=O)OC 34a_100016278788_100009816466 [0,1,0,0,0,0|1,0,2]=4 2896 B15R0.81 CCC/C=C/COCCCCCC(=O)OC 7a_100016278788_100009816466 [0,1,0,0,0,0|1,0,2]=4 2897 B15R0.81 CCCC#CCCOCCCCC(=O)OC 34a_100000042726_100000204269 [0,1,0,0,0,0|1,0,2]=4 2898 B15R0.81 CCCC#CCCOCCCCC(=O)OC 7a_100000042726_100000204269 [0,1,0,0,0,0|1,0,2]=4 2899 B15R0.81 CCCC#CCOCCCCCC(=O)OC 34a_100000034806_100009816466 [0,1,0,0,0,0|1,0,2]=4 2900 B15R0.81 CCCC#CCOCCCCCC(=O)OC 7a_100000034806_100009816466 [0,1,0,0,0,0|1,0,2]=4 2901 B15R0.81 CCCC/C=C/CCCCOCC(=O)OC 34a_200020645093_100000747449 [0,1,0,0,0,0|1,0,2]=4 2902 B15R0.81 CCCC/C=C/CCCCOCC(=O)OC 7a_200020645093_100000747449 [0,1,0,0,0,0|1,0,2]=4 2903 B15R0.81 CCCC/C=C/COCCCCC(=O)OC 34a_200016272032_100000204269 [0,1,0,0,0,0|1,0,2]=4 2904 B15R0.81 CCCC/C=C/COCCCCC(=O)OC 7a_200016272032_100000204269 [0,1,0,0,0,0|1,0,2]=4 2905 B15R0.81 CCCC/C=C\CCOCCCC(=O)OC 34a_200016286491_100000742333 [0,1,0,0,0,0|1,0,2]=4 2906 B15R0.81 CCCC/C=C\CCOCCCC(=O)OC 7a_200016286491_100011218270 [0,1,0,0,0,0|1,0,2]=4 2907 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [0,1,0,0,0,0|1,0,2]=4 2908 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,1,0,0,0,0|0,0,2]=3 2909 B15R0.81 CCCCC#CCCCCOCC(=O)OC 34a_200000066234_100000747449 [0,1,0,0,0,0|1,0,2]=4 2910 B15R0.81 CCCCC#CCCCCOCC(=O)OC 7a_200000066234_100000747449 [0,1,0,0,0,0|1,0,2]=4 2911 B15R0.81 CCCCC#CCCCSCCC(=O)OC 62a_100000204255_200000047210 [0,1,0,0,0,0|1,0,2]=4 2912 B15R0.81 CCCCC#CCCCSCCC(=O)OC 62a_200000047210_100000204255 [0,1,0,0,0,0|1,0,2]=4 2913 B15R0.81 CCCCC#CCCOCCCC(=O)OC 34a_100000037610_100000742333 [0,1,0,0,0,0|1,0,2]=4 2914 B15R0.81 CCCCC#CCCOCCCC(=O)OC 7a_100000037610_100011218270 [0,1,0,0,0,0|1,0,2]=4 2915 B15R0.81 CCCCC#CCOCCCCC(=O)OC 34a_200000034558_100000204269 [0,1,0,0,0,0|1,0,2]=4 2916 B15R0.81 CCCCC#CCOCCCCC(=O)OC 7a_200000034558_100000204269 [0,1,0,0,0,0|1,0,2]=4 2917 B15R0.81 CCCCC/C=C/COCCCC(=O)OC 34a_100016258190_100000742333 [0,1,0,0,0,0|1,0,2]=4 2918 B15R0.81 CCCCC/C=C/COCCCC(=O)OC 7a_100016258190_100011218270 [0,1,0,0,0,0|1,0,2]=4 2919 B15R0.81 CCCCC/C=C\CCCOCC(=O)OC 34a_100020655193_100000747449 [0,1,0,0,0,0|1,0,2]=4 2920 B15R0.81 CCCCC/C=C\CCCOCC(=O)OC 7a_100020655193_100000747449 [0,1,0,0,0,0|1,0,2]=4 2921 B15R0.81 CCCCC/C=C\CCOCCC(=O)OC 34a_100016277358_100000742370 [0,1,0,0,0,0|1,0,2]=4 2922 B15R0.81 CCCCC/C=C\CCOCCC(=O)OC 7a_100016277358_100000204255 [0,1,0,0,0,0|1,0,2]=4 2923 B15R0.81 CCCCCC#CCCOCCC(=O)OC 34a_200000042877_100000742370 [0,1,0,0,0,0|1,0,2]=4 2924 B15R0.81 CCCCCC#CCCOCCC(=O)OC 7a_200000042877_100000204255 [0,1,0,0,0,0|1,0,2]=4 2925 B15R0.81 CCCCCC#CCOCCCC(=O)OC 34a_200000033628_100000742333 [0,1,0,0,0,0|1,0,2]=4 2926 B15R0.81 CCCCCC#CCOCCCC(=O)OC 7a_200000033628_100011218270 [0,1,0,0,0,0|1,0,2]=4 2927 B15R0.81 CCCCCC#CCSCCCC(=O)OC 62a_100009816472_100011218270 [0,1,0,0,0,0|1,0,2]=4 2928 B15R0.81 CCCCCC#CCSCCCC(=O)OC 62a_100011218270_100009816472 [0,1,0,0,0,0|1,0,2]=4 2929 B15R0.81 CCCCCC/C=C/COCCC(=O)OC 34a_200016276170_100000742370 [0,1,0,0,0,0|1,0,2]=4 2930 B15R0.81 CCCCCC/C=C/COCCC(=O)OC 7a_200016276170_100000204255 [0,1,0,0,0,0|1,0,2]=4 2931 B15R0.81 CCCCCCC#CCCOCC(=O)OC 34a_200000033163_100000747449 [0,1,0,0,0,0|1,0,2]=4 2932 B15R0.81 CCCCCCC#CCCOCC(=O)OC 7a_200000033163_100000747449 [0,1,0,0,0,0|1,0,2]=4 2933 B15R0.81 CCCCCCC#CCOCCC(=O)OC 34a_200000037284_100000742370 [0,1,0,0,0,0|1,0,2]=4 2934 B15R0.81 CCCCCCC#CCOCCC(=O)OC 7a_200000037284_100000204255 [0,1,0,0,0,0|1,0,2]=4 2935 B15R0.81 CCCCCCCC#CCOCC(=O)OC 34a_200000061759_100000747449 [0,1,0,0,0,0|1,0,2]=4 2936 B15R0.81 CCCCCCCC#CCOCC(=O)OC 7a_200000061759_100000747449 [0,1,0,0,0,0|1,0,2]=4 2937 B15R0.81 CCCCCCCCCCC=CC(=O)NC 11a_106832991635_100015291182 [0,1,0,0,0,0|1,0,2]=4 2938 B15R0.81 CCCCCCCCCCC=CC(=O)NC 1626a_100102657272_100015291182 [0,1,0,0,0,0|1,0,2]=4 2939 B15R0.81 CCCCCCCCCCC=CC(=O)NC 240690a_100102657272_100015291182 [0,1,0,0,0,0|1,0,2]=4 2940 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,1,0,0,0,0|1,0,0]=2 2941 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,1,0,0,0,0|0,0,0]=1 2942 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,1,0,0,0,0|1,0,0]=2 2943 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,1,0,0,0,0|1,0,0]=2 2944 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,1,0,0,0,0|1,0,0]=2 2945 B15R0.81 CCCCCCCCCCCCC(C)NC 2230a_106832991635_200011217028 [0,1,0,0,0,0|2,0,1]=4 2946 B15R0.81 CCCCCCCCCCCCC(C)NC 270004a_106832991635_100011219199 [0,1,0,0,0,0|2,0,1]=4 2947 B15R0.81 CCCCCCCCCCCCC(C)NC 34a_100102657272_200011217028 [0,1,0,0,0,0|2,0,1]=4 2948 B15R0.81 CCCCCCCCCCCCC(C)NC 7a_106832991635_200011217028 [0,1,0,0,0,0|2,0,1]=4 2949 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215052 [0,1,0,0,0,0|3,0,0]=4 2950 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000227908_100000210202 [0,1,0,0,0,0|3,0,0]=4 2951 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000225621_100000759014 [0,1,0,0,0,0|3,0,0]=4 2952 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000227908_100000204670 [0,1,0,0,0,0|3,0,0]=4 2953 B15R0.81 CCCCCCCCCCCCN(C)CF 269982a_100000227908_100015361967 [0,1,0,0,0,0|3,0,0]=4 2954 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,1,0,0,0,0|2,0,0]=3 2955 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,1,0,0,0,0|2,0,0]=3 2956 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,1,0,0,0,0|2,0,0]=3 2957 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,1,0,0,0,0|2,0,0]=3 2958 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,1,0,0,0,0|1,0,0]=2 2959 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,1,0,0,0,0|1,0,0]=2 2960 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,1,0,0,0,0|2,0,0]=3 2961 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,1,0,0,0,0|2,0,0]=3 2962 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,1,0,0,0,0|2,0,0]=3 2963 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,1,0,0,0,0|2,0,0]=3 2964 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,1,0,0,0,0|2,0,0]=3 2965 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,1,0,0,0,0|2,0,0]=3 2966 B15R0.81 CCCCCCCCCCCNC(C)CO 2230a_200011215754_100012180447 [0,1,0,0,0,0|2,0,1]=4 2967 B15R0.81 CCCCCCCCCCCNC(C)CO 34a_200011215754_100012180447 [0,1,0,0,0,0|2,0,1]=4 2968 B15R0.81 CCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215454 [0,1,0,0,0,0|2,0,1]=4 2969 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [0,1,0,0,0,0|2,0,1]=4 2970 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [0,1,0,0,0,0|2,0,1]=4 2971 B15R0.81 CCCCCCCCCCCSC(C)CO 62a_100012180447_100011215454 [0,1,0,0,0,0|2,0,1]=4 2972 B15R0.81 CCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011215454 [0,1,0,0,0,0|2,0,1]=4 2973 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,1,0,0,0,0|2,0,0]=3 2974 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,1,0,0,0,0|2,0,0]=3 2975 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,1,0,0,0,0|2,0,0]=3 2976 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,1,0,0,0,0|1,0,0]=2 2977 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,1,0,0,0,0|1,0,0]=2 2978 B15R0.81 CCCCCCCCCCNCC(C)CO 34a_100000744482_100000210320 [0,1,0,0,0,0|2,0,1]=4 2979 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100000684558_100011218378 [0,1,0,0,0,0|2,0,1]=4 2980 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100011218483_100000210320 [0,1,0,0,0,0|2,0,1]=4 2981 B15R0.81 CCCCCCCCCCNCC(O)CC 34a_100000684558_100011218378 [0,1,0,0,0,0|2,0,1]=4 2982 B15R0.81 CCCCCCCCCCNCC(O)CO 2230a_100000684558_100011219619 [0,1,0,0,0,0|1,0,2]=4 2983 B15R0.81 CCCCCCCCCCNCC(O)CO 34a_100000684558_100011219619 [0,1,0,0,0,0|1,0,2]=4 2984 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 2230a_100000684558_100000059175 [0,1,0,0,0,0|2,0,1]=4 2985 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 34a_100000684558_100000059175 [0,1,0,0,0,0|2,0,1]=4 2986 B15R0.81 CCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210320 [0,1,0,0,0,0|2,0,1]=4 2987 B15R0.81 CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210320 [0,1,0,0,0,0|2,0,1]=4 2988 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 2230a_100000684558_100015614560 [0,1,0,0,0,0|2,0,1]=4 2989 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 34a_100000684558_100015614560 [0,1,0,0,0,0|2,0,1]=4 2990 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 2230a_100000684558_100009815848 [0,1,0,0,0,0|1,0,2]=4 2991 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 34a_100000684558_100009815848 [0,1,0,0,0,0|1,0,2]=4 2992 B15R0.81 CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210320 [0,1,0,0,0,0|1,0,2]=4 2993 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,1,0,0,0,0|2,0,0]=3 2994 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,1,0,0,0,0|2,0,0]=3 2995 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,1,0,0,0,0|2,0,0]=3 2996 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,1,0,0,0,0|2,0,0]=3 2997 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,1,0,0,0,0|2,0,0]=3 2998 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,1,0,0,0,0|1,0,0]=2 2999 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,1,0,0,0,0|1,0,0]=2 3000 B15R0.81 CCCCCCCCCCOCC(C)OC 34a_100000690652_100000210320 [0,1,0,0,0,0|2,0,1]=4 3001 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [0,1,0,0,0,0|2,0,1]=4 3002 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [0,1,0,0,0,0|2,0,1]=4 3003 B15R0.81 CCCCCCCCCCOCC(O)CO 34a_100000210711_100011219619 [0,1,0,0,0,0|1,0,2]=4 3004 B15R0.81 CCCCCCCCCCOCC(O)CO 7a_100000210711_100011219619 [0,1,0,0,0,0|1,0,2]=4 3005 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [0,1,0,0,0,0|2,0,1]=4 3006 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [0,1,0,0,0,0|2,0,1]=4 3007 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 34a_100000210711_100015614560 [0,1,0,0,0,0|2,0,1]=4 3008 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 7a_100000210711_100015614560 [0,1,0,0,0,0|2,0,1]=4 3009 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 34a_100000210711_100009815848 [0,1,0,0,0,0|1,0,2]=4 3010 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 7a_100000210711_100009815848 [0,1,0,0,0,0|1,0,2]=4 3011 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,1,0,0,0,0|2,0,0]=3 3012 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,1,0,0,0,0|2,0,0]=3 3013 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,1,0,0,0,0|1,0,0]=2 3014 B15R0.81 CCCCCCCCCCSCC(O)CC 62a_100011218378_100000210320 [0,1,0,0,0,0|2,0,1]=4 3015 B15R0.81 CCCCCCCCCCSCC(O)CO 62a_100011219619_100000210320 [0,1,0,0,0,0|1,0,2]=4 3016 B15R0.81 CCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210320 [0,1,0,0,0,0|2,0,1]=4 3017 B15R0.81 CCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210320 [0,1,0,0,0,0|2,0,1]=4 3018 B15R0.81 CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210320 [0,1,0,0,0,0|1,0,2]=4 3019 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,1,0,0,0,0|2,0,0]=3 3020 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,1,0,0,0,0|2,0,0]=3 3021 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,1,0,0,0,0|2,0,0]=3 3022 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,1,0,0,0,0|2,0,0]=3 3023 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,1,0,0,0,0|1,0,0]=2 3024 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,1,0,0,0,0|1,0,0]=2 3025 B15R0.81 CCCCCCCCCNCCC(C)CO 2230a_106354213184_100011214924 [0,1,0,0,0,0|2,0,1]=4 3026 B15R0.81 CCCCCCCCCNCCC(C)CO 34a_106354213184_100011214924 [0,1,0,0,0,0|2,0,1]=4 3027 B15R0.81 CCCCCCCCCOCCC(=NO)N 34a_100000749954_100011214924 [0,1,0,0,0,0|2,0,0]=3 3028 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,1,0,0,0,0|2,0,0]=3 3029 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,1,0,0,0,0|2,0,0]=3 3030 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,1,0,0,0,0|2,0,0]=3 3031 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,1,0,0,0,0|1,0,0]=2 3032 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,1,0,0,0,0|1,0,0]=2 3033 B15R0.81 CCCCCCCCCOCCC(C)OC 7a_100000764861_100000210328 [0,1,0,0,0,0|2,0,1]=4 3034 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,1,0,0,0,0|2,0,0]=3 3035 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,1,0,0,0,0|1,0,0]=2 3036 B15R0.81 CCCCCCCCNC/C=C/C(=O)OC 2230a_100000229939_100000742655 [0,1,0,0,0,0|1,0,2]=4 3037 B15R0.81 CCCCCCCCNC/C=C/C(=O)OC 34a_100000229939_100000742655 [0,1,0,0,0,0|1,0,2]=4 3038 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,1,0,0,0,0|2,0,0]=3 3039 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,1,0,0,0,0|2,0,0]=3 3040 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,1,0,0,0,0|2,0,0]=3 3041 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,1,0,0,0,0|2,0,0]=3 3042 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,1,0,0,0,0|1,0,0]=2 3043 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,1,0,0,0,0|1,0,0]=2 3044 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [0,1,0,0,0,0|3,0,0]=4 3045 B15R0.81 CCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210759 [0,1,0,0,0,0|3,0,0]=4 3046 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [0,1,0,0,0,0|3,0,0]=4 3047 B15R0.81 CCCCCCCCOC/C=C/C(=O)OC 34a_100000210232_100000742655 [0,1,0,0,0,0|1,0,2]=4 3048 B15R0.81 CCCCCCCCOC/C=C/C(=O)OC 7a_100000210232_100000742655 [0,1,0,0,0,0|1,0,2]=4 3049 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,1,0,0,0,0|2,0,0]=3 3050 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,1,0,0,0,0|2,0,0]=3 3051 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,1,0,0,0,0|2,0,0]=3 3052 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,1,0,0,0,0|1,0,0]=2 3053 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,1,0,0,0,0|1,0,0]=2 3054 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [0,1,0,0,0,0|3,0,0]=4 3055 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [0,1,0,0,0,0|3,0,0]=4 3056 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,1,0,0,0,0|2,0,0]=3 3057 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [0,1,0,0,0,0|3,0,0]=4 3058 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [0,1,0,0,0,0|3,0,0]=4 3059 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [0,1,0,0,0,0|3,0,0]=4 3060 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,1,0,0,0,0|2,0,0]=3 3061 B15R0.81 CCCCCCCCSC/C=C/C(=O)OC 62a_100000210759_100000742655 [0,1,0,0,0,0|1,0,2]=4 3062 B15R0.81 CCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210317 [0,1,0,0,0,0|1,0,2]=4 3063 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,1,0,0,0,0|2,0,0]=3 3064 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,1,0,0,0,0|2,0,0]=3 3065 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,1,0,0,0,0|1,0,0]=2 3066 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,1,0,0,0,0|1,0,0]=2 3067 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [0,1,0,0,0,0|3,0,0]=4 3068 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [0,1,0,0,0,0|3,0,0]=4 3069 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,1,0,0,0,0|1,0,0]=2 3070 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,1,0,0,0,0|2,0,0]=3 3071 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,1,0,0,0,0|1,0,0]=2 3072 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,1,0,0,0,0|1,0,0]=2 3073 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,1,0,0,0,0|1,0,0]=2 3074 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,1,0,0,0,0|1,0,0]=2 3075 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,1,0,0,0,0|2,0,0]=3 3076 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,1,0,0,0,0|2,0,0]=3 3077 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,1,0,0,0,0|1,0,0]=2 3078 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,1,0,0,0,0|1,0,0]=2 3079 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,1,0,0,0,0|2,0,0]=3 3080 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,1,0,0,0,0|2,0,0]=3 3081 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,1,0,0,0,0|1,0,0]=2 3082 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,1,0,0,0,0|1,0,0]=2 3083 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,1,0,0,0,0|1,0,0]=2 3084 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,1,0,0,0,0|1,0,0]=2 3085 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,1,0,0,0,0|1,0,0]=2 3086 B15R0.81 CCCCCCOCCOCCC(=O)NC 34a_100000691444_100012179268 [0,1,0,0,0,0|3,0,0]=4 3087 B15R0.81 CCCCCCOCCOCCC(=O)NC 7a_100000691444_100000737683 [0,1,0,0,0,0|3,0,0]=4 3088 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,1,0,0,0,0|2,0,0]=3 3089 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,1,0,0,0,0|2,0,0]=3 3090 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,1,0,0,0,0|1,0,0]=2 3091 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,1,0,0,0,0|1,0,0]=2 3092 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,1,0,0,0,0|1,0,0]=2 3093 B15R0.81 CCCCCNCCOCCCC(=O)NC 34a_100000224656_100000741757 [0,1,0,0,0,0|3,0,0]=4 3094 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,1,0,0,0,0|2,0,0]=3 3095 B15R0.81 CCCCCNN=CCCCCC(=O)OC 4a_100000694160_100000052768 [0,1,0,0,0,0|2,0,1]=4 3096 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,1,0,0,0,0|1,0,0]=2 3097 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,1,0,0,0,0|1,0,0]=2 3098 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,1,0,0,0,0|1,0,0]=2 3099 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,1,0,0,0,0|1,0,0]=2 3100 B15R0.81 CCCCCOCCOCCCC(=O)NC 34a_100011215259_100000741757 [0,1,0,0,0,0|3,0,0]=4 3101 B15R0.81 CCCCCOCCOCCCC(=O)NC 7a_100011215259_100000741757 [0,1,0,0,0,0|3,0,0]=4 3102 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,1,0,0,0,0|2,0,0]=3 3103 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,1,0,0,0,0|2,0,0]=3 3104 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,1,0,0,0,0|1,0,0]=2 3105 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,1,0,0,0,0|1,0,0]=2 3106 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,1,0,0,0,0|1,0,0]=2 3107 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,1,0,0,0,0|1,0,0]=2 3108 B15R0.81 CCCCNCCCCOCCC(=O)NC 34a_200011216965_100012179268 [0,1,0,0,0,0|3,0,0]=4 3109 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,1,0,0,0,0|2,0,0]=3 3110 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,1,0,0,0,0|1,0,0]=2 3111 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,1,0,0,0,0|1,0,0]=2 3112 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,1,0,0,0,0|1,0,0]=2 3113 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,1,0,0,0,0|1,0,0]=2 3114 B15R0.81 CCCCOCCCCOCCC(=O)NC 34a_200000760531_100012179268 [0,1,0,0,0,0|3,0,0]=4 3115 B15R0.81 CCCCOCCCCOCCC(=O)NC 7a_200000760531_100000737683 [0,1,0,0,0,0|3,0,0]=4 3116 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,1,0,0,0,0|2,0,0]=3 3117 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,1,0,0,0,0|2,0,0]=3 3118 B15R0.81 CCCCOCCCNCCCC(=O)NC 2230a_200000211371_100000741757 [0,1,0,0,0,0|3,0,0]=4 3119 B15R0.81 CCCCOCCCNCCCC(=O)NC 34a_200000211371_100000741757 [0,1,0,0,0,0|3,0,0]=4 3120 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,1,0,0,0,0|2,0,0]=3 3121 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,1,0,0,0,0|2,0,0]=3 3122 B15R0.81 CCCCOCCCOCCCC(=O)NC 34a_200011215613_100000741757 [0,1,0,0,0,0|3,0,0]=4 3123 B15R0.81 CCCCOCCCOCCCC(=O)NC 7a_200011215613_100000741757 [0,1,0,0,0,0|3,0,0]=4 3124 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,1,0,0,0,0|2,0,0]=3 3125 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,1,0,0,0,0|2,0,0]=3 3126 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,1,0,0,0,0|2,0,0]=3 3127 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,1,0,0,0,0|2,0,0]=3 3128 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,1,0,0,0,0|2,0,0]=3 3129 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,1,0,0,0,0|2,0,0]=3 3130 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100000210238_100000090808 [0,1,0,0,0,0|3,0,0]=4 3131 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100011023656_100000210210 [0,1,0,0,0,0|3,0,0]=4 3132 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100011215186_100000747449 [0,1,0,0,0,0|3,0,0]=4 3133 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100000210238_100000090808 [0,1,0,0,0,0|3,0,0]=4 3134 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210211 [0,1,0,0,0,0|3,0,0]=4 3135 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100011215186_100000747449 [0,1,0,0,0,0|3,0,0]=4 3136 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,1,0,0,0,0|2,0,0]=3 3137 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,1,0,0,0,0|2,0,0]=3 3138 B15R0.81 CCCCOCCSCCOCC(=O)OC 62a_100000090808_100000743108 [0,1,0,0,0,0|3,0,0]=4 3139 B15R0.81 CCCCOCCSCCOCC(=O)OC 62a_100000743108_100000090808 [0,1,0,0,0,0|3,0,0]=4 3140 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,1,0,0,0,0|2,0,0]=3 3141 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,1,0,0,0,0|2,0,0]=3 3142 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,1,0,0,0,0|2,0,0]=3 3143 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,1,0,0,0,0|1,0,0]=2 3144 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,1,0,0,0,0|1,0,0]=2 3145 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,1,0,0,0,0|2,0,0]=3 3146 B15R0.81 CCCCSCCNCCOCC(=O)OC 2230a_100025743550_100000090808 [0,1,0,0,0,0|3,0,0]=4 3147 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,1,0,0,0,0|2,0,0]=3 3148 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,1,0,0,0,0|2,0,0]=3 3149 B15R0.81 CCCCSCCOCCOCC(=O)OC 34a_200000230436_100000090808 [0,1,0,0,0,0|3,0,0]=4 3150 B15R0.81 CCCCSCCOCCOCC(=O)OC 7a_200000230436_100000090808 [0,1,0,0,0,0|3,0,0]=4 3151 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,1,0,0,0,0|1,0,0]=2 3152 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,1,0,0,0,0|1,0,0]=2 3153 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,1,0,0,0,0|1,0,0]=2 3154 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,1,0,0,0,0|2,0,0]=3 3155 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,1,0,0,0,0|2,0,0]=3 3156 B15R0.81 CCCOCCCNCCOCC(=O)OC 2230a_100011217757_100000090808 [0,1,0,0,0,0|3,0,0]=4 3157 B15R0.81 CCCOCCCNCCOCC(=O)OC 34a_100011217757_100000090808 [0,1,0,0,0,0|3,0,0]=4 3158 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,1,0,0,0,0|2,0,0]=3 3159 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,1,0,0,0,0|2,0,0]=3 3160 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,1,0,0,0,0|2,0,0]=3 3161 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,1,0,0,0,0|2,0,0]=3 3162 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,1,0,0,0,0|2,0,0]=3 3163 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,1,0,0,0,0|2,0,0]=3 3164 B15R0.81 CCCOCCOCCNCCC(=O)OC 2230a_200011904461_100000204255 [0,1,0,0,0,0|3,0,0]=4 3165 B15R0.81 CCCOCCOCCNCCC(=O)OC 34a_200011904461_100000742370 [0,1,0,0,0,0|3,0,0]=4 3166 B15R0.81 CCCOCCOCCOCCC(=O)OC 34a_100010982084_100000210303 [0,1,0,0,0,0|3,0,0]=4 3167 B15R0.81 CCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210303 [0,1,0,0,0,0|3,0,0]=4 3168 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,1,0,0,0,0|2,0,0]=3 3169 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,1,0,0,0,0|2,0,0]=3 3170 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,1,0,0,0,0|1,0,0]=2 3171 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,1,0,0,0,0|1,0,0]=2 3172 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,1,0,0,0,0|2,0,0]=3 3173 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,1,0,0,0,0|2,0,0]=3 3174 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,1,0,0,0,0|2,0,0]=3 3175 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,1,0,0,0,0|1,0,0]=2 3176 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,1,0,0,0,0|1,0,0]=2 3177 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,1,0,0,0,0|2,0,0]=3 3178 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,1,0,0,0,0|2,0,0]=3 3179 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,1,0,0,0,0|2,0,0]=3 3180 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,1,0,0,0,0|2,0,0]=3 3181 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,1,0,0,0,0|2,0,0]=3 3182 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,1,0,0,0,0|2,0,0]=3 3183 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,1,0,0,0,0|2,0,0]=3 3184 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,1,0,0,0,0|2,0,0]=3 3185 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,1,0,0,0,0|2,0,0]=3 3186 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,1,0,0,0,0|2,0,0]=3 3187 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,1,0,0,0,0|2,0,0]=3 3188 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,1,0,0,0,0|2,0,0]=3 3189 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,1,0,0,0,0|2,0,0]=3 3190 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,1,0,0,0,0|2,0,0]=3 3191 B15R0.81 CCOCCOCCNCCCC(=O)OC 2230a_100102712874_100011218270 [0,1,0,0,0,0|3,0,0]=4 3192 B15R0.81 CCOCCOCCNCCCC(=O)OC 34a_100102712874_100000742333 [0,1,0,0,0,0|3,0,0]=4 3193 B15R0.81 CCOCCOCCOCCCC(=O)OC 34a_100000210240_100000742333 [0,1,0,0,0,0|3,0,0]=4 3194 B15R0.81 CCOCCOCCOCCCC(=O)OC 7a_100000210240_100011218270 [0,1,0,0,0,0|3,0,0]=4 3195 B15R0.81 CCOCCOCCSCCCC(=O)OC 62a_100011211534_100011218270 [0,1,0,0,0,0|3,0,0]=4 3196 B15R0.81 CCOCCOCCSCCCC(=O)OC 62a_100011218270_100011211534 [0,1,0,0,0,0|3,0,0]=4 3197 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,1,0,0,0,0|2,0,0]=3 3198 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,1,0,0,0,0|2,0,0]=3 3199 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,1,0,0,0,0|2,0,0]=3 3200 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,1,0,0,0,0|2,0,0]=3 3201 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,1,0,0,0,0|1,0,0]=2 3202 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,1,0,0,0,0|2,0,0]=3 3203 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,1,0,0,0,0|2,0,0]=3 3204 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,1,0,0,0,0|2,0,0]=3 3205 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,1,0,0,0,0|2,0,0]=3 3206 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,1,0,0,0,0|2,0,0]=3 3207 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,1,0,0,0,0|2,0,0]=3 3208 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,1,0,0,0,0|2,0,0]=3 3209 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,1,0,0,0,0|2,0,0]=3 3210 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,1,0,0,0,0|2,0,0]=3 3211 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,1,0,0,0,0|2,0,0]=3 3212 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,1,0,0,0,0|3,0,0]=4 3213 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 3214 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,1,0,0,0,0|3,0,0]=4 3215 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 3216 B15R0.81 CNC(=O)CCCNCCCCCCOC 2230a_100000740002_100011998445 [0,1,0,0,0,0|3,0,0]=4 3217 B15R0.81 CNC(=O)CCCNCCCCCCOC 34a_100000740002_100011998445 [0,1,0,0,0,0|3,0,0]=4 3218 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,1,0,0,0,0|3,0,0]=4 3219 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,1,0,0,0,0|3,0,0]=4 3220 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 3221 B15R0.81 CNC(=O)CCCOCCCCCCOC 34a_200012092642_100000741757 [0,1,0,0,0,0|3,0,0]=4 3222 B15R0.81 CNC(=O)CCCOCCCCCCOC 7a_200012092642_100000741757 [0,1,0,0,0,0|3,0,0]=4 3223 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,1,0,0,0,0|3,0,0]=4 3224 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,1,0,0,0,0|3,0,0]=4 3225 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100000741757_100011998445 [0,1,0,0,0,0|3,0,0]=4 3226 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100011998445_100000741757 [0,1,0,0,0,0|3,0,0]=4 3227 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,1,0,0,0,0|3,0,0]=4 3228 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,1,0,0,0,0|3,0,0]=4 3229 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,1,0,0,0,0|3,0,0]=4 3230 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,1,0,0,0,0|3,0,0]=4 3231 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,1,0,0,0,0|3,0,0]=4 3232 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,1,0,0,0,0|3,0,0]=4 3233 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,1,0,0,0,0|3,0,0]=4 3234 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,1,0,0,0,0|3,0,0]=4 3235 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,1,0,0,0,0|3,0,0]=4 3236 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,1,0,0,0,0|3,0,0]=4 3237 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,1,0,0,0,0|3,0,0]=4 3238 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,1,0,0,0,0|3,0,0]=4 3239 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 3240 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,1,0,0,0,0|3,0,0]=4 3241 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 3242 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,1,0,0,0,0|3,0,0]=4 3243 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,1,0,0,0,0|3,0,0]=4 3244 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,1,0,0,0,0|3,0,0]=4 3245 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,1,0,0,0,0|3,0,0]=4 3246 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 3247 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,1,0,0,0,0|3,0,0]=4 3248 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,1,0,0,0,0|3,0,0]=4 3249 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,1,0,0,0,0|3,0,0]=4 3250 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,1,0,0,0,0|3,0,0]=4 3251 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,1,0,0,0,0|3,0,0]=4 3252 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,1,0,0,0,0|3,0,0]=4 3253 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,1,0,0,0,0|3,0,0]=4 3254 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,1,0,0,0,0|3,0,0]=4 3255 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,1,0,0,0,0|3,0,0]=4 3256 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,1,0,0,0,0|1,0,0]=2 3257 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,1,0,0,0,0|1,0,0]=2 3258 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,1,0,0,0,0|1,0,0]=2 3259 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,1,0,0,0,0|2,0,0]=3 3260 B15R0.81 CNCCCCCOCCOCC(=O)OC 34a_100000722520_100000090808 [0,1,0,0,0,0|3,0,0]=4 3261 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,1,0,0,0,0|2,0,0]=3 3262 B15R0.81 CNCCOCCOCCCCC(=O)OC 34a_100000228057_100000204269 [0,1,0,0,0,0|3,0,0]=4 3263 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,1,0,0,0,0|1,0,0]=2 3264 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,1,0,0,0,0|1,0,0]=2 3265 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,1,0,0,0,0|1,0,0]=2 3266 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,1,0,0,0,0|1,0,0]=2 3267 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,1,0,0,0,0|2,0,0]=3 3268 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,1,0,0,0,0|2,0,0]=3 3269 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,1,0,0,0,0|2,0,0]=3 3270 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,1,0,0,0,0|2,0,0]=3 3271 B15R0.81 COC(=O)CCCCCCCCOCC#N 7a_100000035544_100011215382 [0,1,0,0,0,0|2,0,1]=4 3272 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [0,1,0,0,0,0|2,0,1]=4 3273 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [0,1,0,0,0,0|2,0,1]=4 3274 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,1,0,0,0,0|2,0,0]=3 3275 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,1,0,0,0,0|2,0,0]=3 3276 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,1,0,0,0,0|2,0,0]=3 3277 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,1,0,0,0,0|2,0,0]=3 3278 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,1,0,0,0,0|2,0,0]=3 3279 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,1,0,0,0,0|2,0,0]=3 3280 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,1,0,0,0,0|2,0,0]=3 3281 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100010282707_100011215382 [0,1,0,0,0,0|2,0,1]=4 3282 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100011215382_100010282707 [0,1,0,0,0,0|2,0,1]=4 3283 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [0,1,0,0,0,0|2,0,1]=4 3284 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [0,1,0,0,0,0|2,0,1]=4 3285 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,1,0,0,0,0|2,0,0]=3 3286 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,1,0,0,0,0|2,0,0]=3 3287 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,1,0,0,0,0|2,0,0]=3 3288 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,1,0,0,0,0|2,0,0]=3 3289 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,1,0,0,0,0|2,0,0]=3 3290 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,1,0,0,0,0|2,0,0]=3 3291 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,1,0,0,0,0|2,0,0]=3 3292 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,1,0,0,0,0|2,0,0]=3 3293 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,1,0,0,0,0|2,0,0]=3 3294 B15R0.81 COC(=O)CCCCCCCOCCC#N 7a_100011022521_100000184422 [0,1,0,0,0,0|2,0,1]=4 3295 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,1,0,0,0,0|2,0,0]=3 3296 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,1,0,0,0,0|2,0,0]=3 3297 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,1,0,0,0,0|2,0,0]=3 3298 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,1,0,0,0,0|2,0,0]=3 3299 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,1,0,0,0,0|2,0,0]=3 3300 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,1,0,0,0,0|2,0,0]=3 3301 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,1,0,0,0,0|2,0,0]=3 3302 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,1,0,0,0,0|2,0,0]=3 3303 B15R0.81 COC(=O)CCCCCCCOCCON 34a_100000700252_100010004213 [0,1,0,0,0,0|3,0,0]=4 3304 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,1,0,0,0,0|2,0,0]=3 3305 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,1,0,0,0,0|2,0,0]=3 3306 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,1,0,0,0,0|2,0,0]=3 3307 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,1,0,0,0,0|2,0,0]=3 3308 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100010004213_100011215226 [0,1,0,0,0,0|2,0,1]=4 3309 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100011215226_100010004213 [0,1,0,0,0,0|2,0,1]=4 3310 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,1,0,0,0,0|2,0,0]=3 3311 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,1,0,0,0,0|2,0,0]=3 3312 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,1,0,0,0,0|2,0,0]=3 3313 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,1,0,0,0,0|2,0,0]=3 3314 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,1,0,0,0,0|2,0,0]=3 3315 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,1,0,0,0,0|2,0,0]=3 3316 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 3317 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 3318 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,1,0,0,0,0|2,0,0]=3 3319 B15R0.81 COC(=O)CCCCCCOCCCC#N 7a_100009863599_100000687738 [0,1,0,0,0,0|2,0,1]=4 3320 B15R0.81 COC(=O)CCCCCCOCCCC=O 7a_100009863599_200011292268 [0,1,0,0,0,0|2,0,1]=4 3321 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,1,0,0,0,0|2,0,0]=3 3322 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,1,0,0,0,0|2,0,0]=3 3323 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,1,0,0,0,0|2,0,0]=3 3324 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,1,0,0,0,0|2,0,0]=3 3325 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,1,0,0,0,0|2,0,0]=3 3326 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,1,0,0,0,0|2,0,0]=3 3327 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,1,0,0,0,0|2,0,0]=3 3328 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,1,0,0,0,0|2,0,0]=3 3329 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 3330 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,1,0,0,0,0|2,0,0]=3 3331 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,1,0,0,0,0|2,0,0]=3 3332 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,1,0,0,0,0|2,0,0]=3 3333 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,1,0,0,0,0|2,0,0]=3 3334 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100000687738_100009815986 [0,1,0,0,0,0|2,0,1]=4 3335 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100009815986_100000687738 [0,1,0,0,0,0|2,0,1]=4 3336 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_100009815986_200011292268 [0,1,0,0,0,0|2,0,1]=4 3337 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_200011292268_100009815986 [0,1,0,0,0,0|2,0,1]=4 3338 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,1,0,0,0,0|2,0,0]=3 3339 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,1,0,0,0,0|2,0,0]=3 3340 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,1,0,0,0,0|2,0,0]=3 3341 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,1,0,0,0,0|2,0,0]=3 3342 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 3343 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 3344 B15R0.81 COC(=O)CCCCCNCCOCCO 2230a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 3345 B15R0.81 COC(=O)CCCCCNCCOCCO 34a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 3346 B15R0.81 COC(=O)CCCCCNCCSCCO 2230a_100011219999_100009816466 [0,1,0,0,0,0|3,0,0]=4 3347 B15R0.81 COC(=O)CCCCCOCCCCC#N 7a_100000074720_100000211819 [0,1,0,0,0,0|2,0,1]=4 3348 B15R0.81 COC(=O)CCCCCOCCCCC=O 7a_100000074720_100000139335 [0,1,0,0,0,0|2,0,1]=4 3349 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,1,0,0,0,0|2,0,0]=3 3350 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,1,0,0,0,0|2,0,0]=3 3351 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,1,0,0,0,0|2,0,0]=3 3352 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,1,0,0,0,0|2,0,0]=3 3353 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,1,0,0,0,0|2,0,0]=3 3354 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,1,0,0,0,0|2,0,0]=3 3355 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,1,0,0,0,0|2,0,0]=3 3356 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,1,0,0,0,0|2,0,0]=3 3357 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 3358 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,1,0,0,0,0|2,0,0]=3 3359 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,1,0,0,0,0|2,0,0]=3 3360 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,1,0,0,0,0|2,0,0]=3 3361 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,1,0,0,0,0|2,0,0]=3 3362 B15R0.81 COC(=O)CCCCCOCCOCCBr 34a_100000692535_100009816466 [0,1,0,0,0,0|3,0,0]=4 3363 B15R0.81 COC(=O)CCCCCOCCOCCBr 7a_100000692535_100009816466 [0,1,0,0,0,0|3,0,0]=4 3364 B15R0.81 COC(=O)CCCCCOCCOCCCl 34a_100011215305_100009816466 [0,1,0,0,0,0|3,0,0]=4 3365 B15R0.81 COC(=O)CCCCCOCCOCCCl 7a_100011215305_100009816466 [0,1,0,0,0,0|3,0,0]=4 3366 B15R0.81 COC(=O)CCCCCOCCOCCF 34a_200015357709_100009816466 [0,1,0,0,0,0|3,0,0]=4 3367 B15R0.81 COC(=O)CCCCCOCCOCCF 7a_200015357709_100009816466 [0,1,0,0,0,0|3,0,0]=4 3368 B15R0.81 COC(=O)CCCCCOCCOCCI 34a_100012149058_100009816466 [0,1,0,0,0,0|3,0,0]=4 3369 B15R0.81 COC(=O)CCCCCOCCOCCI 7a_100012149058_100009816466 [0,1,0,0,0,0|3,0,0]=4 3370 B15R0.81 COC(=O)CCCCCOCCOCCN 34a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 3371 B15R0.81 COC(=O)CCCCCOCCOCCO 34a_100000074720_100000692535 [0,1,0,0,0,0|3,0,0]=4 3372 B15R0.81 COC(=O)CCCCCOCCOCCO 7a_100000074720_100011215305 [0,1,0,0,0,0|3,0,0]=4 3373 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100009816466_100000211819 [0,1,0,0,0,0|2,0,1]=4 3374 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100011219923_100009816466 [0,1,0,0,0,0|2,0,1]=4 3375 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100000139335_100009816466 [0,1,0,0,0,0|2,0,1]=4 3376 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100009816466_100000139335 [0,1,0,0,0,0|2,0,1]=4 3377 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,1,0,0,0,0|2,0,0]=3 3378 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,1,0,0,0,0|2,0,0]=3 3379 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,1,0,0,0,0|2,0,0]=3 3380 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,1,0,0,0,0|2,0,0]=3 3381 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100009816466_100011215305 [0,1,0,0,0,0|3,0,0]=4 3382 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100011215305_100009816466 [0,1,0,0,0,0|3,0,0]=4 3383 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 3384 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 3385 B15R0.81 COC(=O)CCCCOCCCCCC#N 7a_100000059025_100009813376 [0,1,0,0,0,0|2,0,1]=4 3386 B15R0.81 COC(=O)CCCCOCCCCCC=O 7a_100000059025_100000139337 [0,1,0,0,0,0|2,0,1]=4 3387 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,1,0,0,0,0|2,0,0]=3 3388 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,1,0,0,0,0|2,0,0]=3 3389 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,1,0,0,0,0|2,0,0]=3 3390 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,1,0,0,0,0|2,0,0]=3 3391 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,1,0,0,0,0|2,0,0]=3 3392 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,1,0,0,0,0|2,0,0]=3 3393 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,1,0,0,0,0|2,0,0]=3 3394 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,1,0,0,0,0|2,0,0]=3 3395 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 3396 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,1,0,0,0,0|2,0,0]=3 3397 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,1,0,0,0,0|2,0,0]=3 3398 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100000204269_100009813376 [0,1,0,0,0,0|2,0,1]=4 3399 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100009813376_100000204269 [0,1,0,0,0,0|2,0,1]=4 3400 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000139337_100000204269 [0,1,0,0,0,0|2,0,1]=4 3401 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000204269_100000139337 [0,1,0,0,0,0|2,0,1]=4 3402 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,1,0,0,0,0|2,0,0]=3 3403 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,1,0,0,0,0|2,0,0]=3 3404 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,1,0,0,0,0|2,0,0]=3 3405 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,1,0,0,0,0|2,0,0]=3 3406 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,1,0,0,0,0|2,0,0]=3 3407 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,1,0,0,0,0|2,0,0]=3 3408 B15R0.81 COC(=O)CCCNCCCOCCCO 2230a_100011310245_100011218270 [0,1,0,0,0,0|3,0,0]=4 3409 B15R0.81 COC(=O)CCCNCCCOCCCO 34a_100011310245_100000742333 [0,1,0,0,0,0|3,0,0]=4 3410 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,1,0,0,0,0|2,0,0]=3 3411 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,1,0,0,0,0|2,0,0]=3 3412 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,1,0,0,0,0|2,0,0]=3 3413 B15R0.81 COC(=O)CCCOCCCOCCCN 34a_100011310245_100000742333 [0,1,0,0,0,0|3,0,0]=4 3414 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100009813337_100011218270 [0,1,0,0,0,0|2,0,1]=4 3415 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100011218270_100009813337 [0,1,0,0,0,0|2,0,1]=4 3416 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,1,0,0,0,0|2,0,0]=3 3417 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,1,0,0,0,0|2,0,0]=3 3418 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,1,0,0,0,0|2,0,0]=3 3419 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,1,0,0,0,0|2,0,0]=3 3420 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,1,0,0,0,0|2,0,0]=3 3421 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,1,0,0,0,0|2,0,0]=3 3422 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,1,0,0,0,0|2,0,0]=3 3423 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,1,0,0,0,0|2,0,0]=3 3424 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,1,0,0,0,0|2,0,0]=3 3425 B15R0.81 COC(=O)CCOCCCCCNCCN 34a_103619048469_100000742370 [0,1,0,0,0,0|3,0,0]=4 3426 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,1,0,0,0,0|2,0,0]=3 3427 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,1,0,0,0,0|2,0,0]=3 3428 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 3429 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 3430 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,1,0,0,0,0|2,0,0]=3 3431 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,1,0,0,0,0|2,0,0]=3 3432 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,1,0,0,0,0|2,0,0]=3 3433 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,1,0,0,0,0|2,0,0]=3 3434 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 3435 B15R0.81 COC(=O)COCCNCCCCCCO 2230a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 3436 B15R0.81 COC(=O)COCCNCCCCCCO 34a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 3437 B15R0.81 COC(=O)COCCOCCCCCCBr 34a_100011215345_100000090808 [0,1,0,0,0,0|3,0,0]=4 3438 B15R0.81 COC(=O)COCCOCCCCCCBr 7a_100011215345_100000090808 [0,1,0,0,0,0|3,0,0]=4 3439 B15R0.81 COC(=O)COCCOCCCCCCCl 34a_100000766143_100000090808 [0,1,0,0,0,0|3,0,0]=4 3440 B15R0.81 COC(=O)COCCOCCCCCCCl 7a_100000766143_100000090808 [0,1,0,0,0,0|3,0,0]=4 3441 B15R0.81 COC(=O)COCCOCCCCCCF 34a_100000732779_100000090808 [0,1,0,0,0,0|3,0,0]=4 3442 B15R0.81 COC(=O)COCCOCCCCCCF 7a_100000732779_100000090808 [0,1,0,0,0,0|3,0,0]=4 3443 B15R0.81 COC(=O)COCCOCCCCCCN 34a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 3444 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100000090808_100015922095 [0,1,0,0,0,0|3,0,0]=4 3445 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100015922095_100000090808 [0,1,0,0,0,0|3,0,0]=4 3446 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000090808_100000766143 [0,1,0,0,0,0|3,0,0]=4 3447 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000766143_100000090808 [0,1,0,0,0,0|3,0,0]=4 3448 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,1,0,0,0,0|2,0,0]=3 3449 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,1,0,0,0,0|2,0,0]=3 3450 B15R0.81 COC(=O)NCCOCCCCCCCO 34a_100000757965_100000760002 [0,1,0,0,0,0|3,0,0]=4 3451 B15R0.81 COC(=O)OCCOCCCCCCCO 34a_100010262106_100000760002 [0,1,0,0,0,0|3,0,0]=4 3452 B15R0.81 COC(=O)OCSCCCCCCCCO 62a_100000033203_100000139417 [0,1,0,0,0,0|3,0,0]=4 3453 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,1,0,0,0,0|1,0,0]=2 3454 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,1,0,0,0,0|1,0,0]=2 3455 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,1,0,0,0,0|1,0,0]=2 3456 B15R0.81 COCCCCCCOCCCC(=O)NN 34a_100000211488_100011998445 [0,1,0,0,0,0|3,0,0]=4 3457 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,1,0,0,0,0|2,0,0]=3 3458 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,1,0,0,0,0|2,0,0]=3 3459 B15R0.81 COCCCCCCOCCNC(=O)OC 34a_100000757965_100011998445 [0,1,0,0,0,0|3,0,0]=4 3460 B15R0.81 COCCCCCCOCCOC(=O)OC 34a_100010262106_100011998445 [0,1,0,0,0,0|3,0,0]=4 3461 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,1,0,0,0,0|2,0,0]=3 3462 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,1,0,0,0,0|2,0,0]=3 3463 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,1,0,0,0,0|2,0,0]=3 3464 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,1,0,0,0,0|2,0,0]=3 3465 B15R0.81 COCCCCCNCCOCC(=O)OC 2230a_100000747528_100000090808 [0,1,0,0,0,0|3,0,0]=4 3466 B15R0.81 COCCCCCNCCOCC(=O)OC 34a_100000747528_100000090808 [0,1,0,0,0,0|3,0,0]=4 3467 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,1,0,0,0,0|2,0,0]=3 3468 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,1,0,0,0,0|2,0,0]=3 3469 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,1,0,0,0,0|2,0,0]=3 3470 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,1,0,0,0,0|2,0,0]=3 3471 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,1,0,0,0,0|2,0,0]=3 3472 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,1,0,0,0,0|2,0,0]=3 3473 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,1,0,0,0,0|2,0,0]=3 3474 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,1,0,0,0,0|2,0,0]=3 3475 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,1,0,0,0,0|2,0,0]=3 3476 B15R0.81 COCCCOCCCOCCC(=O)OC 34a_200011215475_100000742370 [0,1,0,0,0,0|3,0,0]=4 3477 B15R0.81 COCCCOCCCOCCC(=O)OC 7a_200011215475_100000204255 [0,1,0,0,0,0|3,0,0]=4 3478 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,1,0,0,0,0|2,0,0]=3 3479 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,1,0,0,0,0|2,0,0]=3 3480 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,1,0,0,0,0|2,0,0]=3 3481 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,1,0,0,0,0|2,0,0]=3 3482 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,1,0,0,0,0|2,0,0]=3 3483 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,1,0,0,0,0|2,0,0]=3 3484 B15R0.81 COCCOCCCNCCCC(=O)OC 2230a_100000206027_100011218270 [0,1,0,0,0,0|3,0,0]=4 3485 B15R0.81 COCCOCCCNCCCC(=O)OC 34a_100000206027_100000742333 [0,1,0,0,0,0|3,0,0]=4 3486 B15R0.81 COCCOCCCSCCCC(=O)OC 62a_100011216529_100011218270 [0,1,0,0,0,0|3,0,0]=4 3487 B15R0.81 COCCOCCCSCCCC(=O)OC 62a_100011218270_100011216529 [0,1,0,0,0,0|3,0,0]=4 3488 B15R0.81 COCCOCCNCCCCC(=O)OC 2230a_100000745349_100000204269 [0,1,0,0,0,0|3,0,0]=4 3489 B15R0.81 COCCOCCNCCCCC(=O)OC 34a_100000745349_100000204269 [0,1,0,0,0,0|3,0,0]=4 3490 B15R0.81 COCCOCCOCCCCC(=O)OC 34a_100000059025_100000695917 [0,1,0,0,0,0|3,0,0]=4 3491 B15R0.81 COCCOCCOCCCCC(=O)OC 34a_100011215163_100000204269 [0,1,0,0,0,0|3,0,0]=4 3492 B15R0.81 COCCOCCOCCCCC(=O)OC 7a_100000059025_100000695917 [0,1,0,0,0,0|3,0,0]=4 3493 B15R0.81 COCCOCCOCCCCC(=O)OC 7a_100011215163_100000204269 [0,1,0,0,0,0|3,0,0]=4 3494 B15R0.81 COCCOCCSCCCCC(=O)OC 62a_100000204269_100000695917 [0,1,0,0,0,0|3,0,0]=4 3495 B15R0.81 COCCOCCSCCCCC(=O)OC 62a_100000695917_100000204269 [0,1,0,0,0,0|3,0,0]=4 3496 B15R0.81 COCCOCSCCCCCC(=O)OC 62a_100000231047_100009816466 [0,1,0,0,0,0|3,0,0]=4 3497 B15R0.81 COCCOCSCCCCCC(=O)OC 62a_100009816466_100000231047 [0,1,0,0,0,0|3,0,0]=4 3498 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,1,0,0,0,0|2,0,0]=3 3499 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,1,0,0,0,0|2,0,0]=3 3500 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,1,0,0,0,0|2,0,0]=3 3501 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,1,0,0,0,0|2,0,0]=3 3502 B15R0.81 NC(=NO)CCOCCCCCCCCO 34a_100000749954_100000033203 [0,1,0,0,0,0|3,0,0]=4 3503 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [0,1,0,0,0,0|3,0,0]=4 3504 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,1,0,0,0,0|1,0,0]=2 3505 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,1,0,0,0,0|2,0,0]=3 3506 B15R0.84 C#CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100153394163 [0,1,0,0,0,0|1,0,2]=4 3507 B15R0.84 C#CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100153394163 [0,1,0,0,0,0|1,0,2]=4 3508 B15R0.84 C=C(C)C(C)NCCCCCCCCCC 269862a_100000684558_100011216138 [0,1,0,0,0,0|3,0,0]=4 3509 B15R0.84 C=CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011933949 [0,1,0,0,0,0|1,0,2]=4 3510 B15R0.84 C=CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012355270 [0,1,0,0,0,0|1,0,2]=4 3511 B15R0.84 C=CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012355270 [0,1,0,0,0,0|1,0,2]=4 3512 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,1,0,0,0,0|3,0,0]=4 3513 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,1,0,0,0,0|3,0,0]=4 3514 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,1,0,0,0,0|3,0,0]=4 3515 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,1,0,0,0,0|3,0,0]=4 3516 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,1,0,0,0,0|3,0,0]=4 3517 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,1,0,0,0,0|3,0,0]=4 3518 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,1,0,0,0,0|3,0,0]=4 3519 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,1,0,0,0,0|3,0,0]=4 3520 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,1,0,0,0,0|2,0,0]=3 3521 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 3522 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 3523 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,1,0,0,0,0|3,0,0]=4 3524 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,1,0,0,0,0|3,0,0]=4 3525 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,1,0,0,0,0|3,0,0]=4 3526 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,1,0,0,0,0|3,0,0]=4 3527 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 3528 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100000702099_100009813782 [0,1,0,0,0,0|3,0,0]=4 3529 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702099 [0,1,0,0,0,0|3,0,0]=4 3530 B15R0.84 CCC#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000036426 [0,1,0,0,0,0|1,0,2]=4 3531 B15R0.84 CCCCC#CCCCNCC(C)C(=O)O 269956a_100000749485_200000047210 [0,1,0,0,0,0|1,0,2]=4 3532 B15R0.84 CCCCC#CCCCNCC(F)C(=O)O 269956a_100000084737_200000047210 [0,1,0,0,0,0|1,0,2]=4 3533 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [0,1,0,0,0,0|0,0,3]=4 3534 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [0,1,0,0,0,0|1,0,2]=4 3535 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [0,1,0,0,0,0|1,0,2]=4 3536 B15R0.84 CCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011216755 [0,1,0,0,0,0|3,0,0]=4 3537 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N 240690a_100000684558_100011215815 [0,1,0,0,0,0|2,0,1]=4 3538 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,1,0,0,0,0|2,0,0]=3 3539 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,1,0,0,0,0|2,0,0]=3 3540 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,1,0,0,0,0|2,0,0]=3 3541 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,1,0,0,0,0|2,0,0]=3 3542 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,1,0,0,0,0|2,0,0]=3 3543 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,1,0,0,0,0|1,0,1]=3 3544 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,1,0,0,0,0|1,0,0]=2 3545 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,1,0,0,0,0|2,0,0]=3 3546 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,1,0,0,0,0|2,0,0]=3 3547 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,1,0,0,0,0|2,0,0]=3 3548 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,1,0,0,0,0|2,0,0]=3 3549 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,1,0,0,0,0|2,0,0]=3 3550 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,1,0,0,0,0|2,0,0]=3 3551 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,1,0,0,0,0|2,0,0]=3 3552 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,1,0,0,0,0|2,0,0]=3 3553 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,1,0,0,0,0|1,0,1]=3 3554 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,1,0,0,0,0|1,0,1]=3 3555 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,1,0,0,0,0|2,0,0]=3 3556 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,1,0,0,0,0|2,0,0]=3 3557 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,1,0,0,0,0|2,0,0]=3 3558 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,1,0,0,0,0|2,0,0]=3 3559 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,1,0,0,0,0|2,0,0]=3 3560 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,1,0,0,0,0|1,0,1]=3 3561 B15R0.84 CCCCCCCCCNCC(=O)C(=O)C 34a_100000212291_100011261029 [0,1,0,0,0,0|2,0,1]=4 3562 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,1,0,0,0,0|1,0,0]=2 3563 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,1,0,0,0,0|1,0,0]=2 3564 B15R0.84 CCCCCCCCCOCC(=O)C(=O)C 34a_100000210712_100011261029 [0,1,0,0,0,0|2,0,1]=4 3565 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,1,0,0,0,0|2,0,0]=3 3566 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,1,0,0,0,0|2,0,0]=3 3567 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011214924 [0,1,0,0,0,0|2,0,1]=4 3568 B15R0.84 CCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210328 [0,1,0,0,0,0|2,0,1]=4 3569 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,1,0,0,0,0|2,0,0]=3 3570 B15R0.84 CCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210670 [0,1,0,0,0,0|2,0,1]=4 3571 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813782 [0,1,0,0,0,0|3,0,0]=4 3572 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 34a_100000119354_100009813782 [0,1,0,0,0,0|3,0,0]=4 3573 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,1,0,0,0,0|3,0,0]=4 3574 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,1,0,0,0,0|3,0,0]=4 3575 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,1,0,0,0,0|2,0,0]=3 3576 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,1,0,0,0,0|2,0,1]=4 3577 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 3578 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 3579 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,1,0,0,0,0|3,0,0]=4 3580 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,1,0,0,0,0|3,0,0]=4 3581 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,1,0,0,0,0|3,0,0]=4 3582 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,1,0,0,0,0|3,0,0]=4 3583 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813875 [0,1,0,0,0,0|3,0,0]=4 3584 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813875_100009813782 [0,1,0,0,0,0|3,0,0]=4 3585 B15R0.84 NC(=O)[C@@H](N)COCCCCCCCCO 34a_100000729942_100000033203 [0,1,0,0,0,0|3,0,0]=4 3586 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 3587 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,1,0,0,0,0|2,0,1]=4 3588 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,1,0,0,0,0|2,0,0]=3 3589 B15R0.84 O=C([O-])C(F)NCCCCCCCCCO 34a_100000078944_100020610796 [0,1,0,0,0,0|2,0,1]=4 3590 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,1,0,0,0,0|2,0,1]=4 3591 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,1,0,0,0,0|2,0,1]=4 3592 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100009813782_100020610796 [0,1,0,0,0,0|2,0,1]=4 3593 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100020610796_100009813782 [0,1,0,0,0,0|2,0,1]=4 3594 B15R0.88 C=C(C)CCC(C)NCCCCCCCC 270004a_100000229939_100011215600 [0,1,0,0,0,0|3,0,0]=4 3595 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 2230a_100000232482_100000730704 [0,1,0,0,0,0|3,0,0]=4 3596 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 269982a_100000232482_100000730704 [0,1,0,0,0,0|3,0,0]=4 3597 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,1,0,0,0,0|1,0,1]=3 3598 B15R0.88 CCCCCCCCCC(=O)CCC(C)O 1458a_100000210558_100012276601 [0,1,0,0,0,0|1,0,2]=4 3599 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [0,1,0,0,0,0|1,0,2]=4 3600 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,1,0,0,0,0|2,0,1]=4 3601 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [0,1,0,0,0,0|2,0,1]=4 3602 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,1,0,0,0,0|2,0,1]=4 3603 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,1,0,0,0,0|2,0,1]=4 3604 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [0,1,0,0,0,0|2,0,1]=4 3605 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [0,1,0,0,0,0|2,0,1]=4 3606 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [0,1,0,0,0,0|2,0,1]=4 3607 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,1,0,0,0,0|2,0,1]=4 3608 B15R0.88 CCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011215753 [0,1,0,0,0,0|2,0,1]=4 3609 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,1,0,0,0,0|2,0,0]=3 3610 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,1,0,0,0,0|2,0,0]=3 3611 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,1,0,0,0,0|1,0,1]=3 3612 B15R0.88 CCCCCCCCCC(C)OCC(C)O 34a_100011218016_100011218427 [0,1,0,0,0,0|2,0,1]=4 3613 B15R0.88 CCCCCCCCCC(C)OCC(C)O 7a_100011218016_100011218427 [0,1,0,0,0,0|2,0,1]=4 3614 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 34a_100011218016_100009817552 [0,1,0,0,0,0|2,0,1]=4 3615 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 7a_100011218016_100009817552 [0,1,0,0,0,0|2,0,1]=4 3616 B15R0.88 CCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011218016_100000761209 [0,1,0,0,0,0|2,0,1]=4 3617 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,1,0,0,0,0|2,0,0]=3 3618 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,1,0,0,0,0|2,0,0]=3 3619 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,1,0,0,0,0|2,0,0]=3 3620 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,1,0,0,0,0|2,0,0]=3 3621 B15R0.88 CCCCCCCCCN(C)CCC(C)O 2230a_100000232482_100012276601 [0,1,0,0,0,0|2,0,1]=4 3622 B15R0.88 CCCCCCCCCN(C)CCC(C)O 269982a_100000232482_100012276601 [0,1,0,0,0,0|2,0,1]=4 3623 B15R0.88 CCCCCCCCCN(C)COC(=O)C 269982a_100000232482_100000076356 [0,1,0,0,0,0|3,0,0]=4 3624 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [0,1,0,0,0,0|2,0,1]=4 3625 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [0,1,0,0,0,0|2,0,1]=4 3626 B15R0.88 CCCCCCCCNC(C)COC(=O)C 270004a_100000229939_100000000629 [0,1,0,0,0,0|3,0,0]=4 3627 B15R0.88 CCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210614 [0,1,0,0,0,0|2,0,1]=4 3628 B15R0.88 CCCCCCCNCC(C)CSC(=O)C 2230a_100000229938_200000116872 [0,1,0,0,0,0|3,0,0]=4 3629 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 34a_100000210272_200000116872 [0,1,0,0,0,0|3,0,0]=4 3630 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 7a_100000210272_200000116872 [0,1,0,0,0,0|3,0,0]=4 3631 B15R0.88 CCCCCCCOCC(O)COC(=O)C 34a_100000210272_200000139349 [0,1,0,0,0,0|3,0,0]=4 3632 B15R0.88 CCCCCCCOCC(O)COC(=O)C 7a_100000210272_200000139349 [0,1,0,0,0,0|3,0,0]=4 3633 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_100000210614_200000116872 [0,1,0,0,0,0|3,0,0]=4 3634 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210316 [0,1,0,0,0,0|3,0,0]=4 3635 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_100000210614_200000139349 [0,1,0,0,0,0|3,0,0]=4 3636 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210316 [0,1,0,0,0,0|3,0,0]=4 3637 B15R0.88 CCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210757 [0,1,0,0,0,0|2,0,1]=4 3638 B15R0.88 CN(CCCCCCCCO)CCC(=O)N 2230a_100000730477_100000033203 [0,1,0,0,0,0|3,0,0]=4 3639 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [0,1,0,0,0,0|2,0,1]=4 3640 B15R0.111 CCCC(C)CCCOCCCCB(O)O 34a_100011713154_200009817182 [0,1,0,0,0,0|2,0,1]=4 3641 B15R0.111 CCCC(C)CCCOCCCCB(O)O 7a_100011713154_200009817182 [0,1,0,0,0,0|2,0,1]=4 3642 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,1,0,0,0,0|2,0,0]=3 3643 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,1,0,0,0,0|2,0,0]=3 3644 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 34a_100011713154_100000042594 [0,1,0,0,0,0|3,0,0]=4 3645 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 7a_100011713154_100000042594 [0,1,0,0,0,0|3,0,0]=4 3646 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 34a_100011713154_100000038929 [0,1,0,0,0,0|3,0,0]=4 3647 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 7a_100011713154_100000038929 [0,1,0,0,0,0|3,0,0]=4 3648 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 34a_100011713154_100000076697 [0,1,0,0,0,0|3,0,0]=4 3649 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 7a_100011713154_100000076697 [0,1,0,0,0,0|3,0,0]=4 3650 B15R0.111 CCCC(C)CCOCCCCCB(O)O 34a_100011217855_200009817188 [0,1,0,0,0,0|2,0,1]=4 3651 B15R0.111 CCCC(C)CCOCCCCCB(O)O 7a_100011217855_200009817188 [0,1,0,0,0,0|2,0,1]=4 3652 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,1,0,0,0,0|2,0,0]=3 3653 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,1,0,0,0,0|2,0,0]=3 3654 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 34a_100011217855_100000033659 [0,1,0,0,0,0|3,0,0]=4 3655 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 7a_100011217855_100000033659 [0,1,0,0,0,0|3,0,0]=4 3656 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 34a_100011217855_200010402107 [0,1,0,0,0,0|3,0,0]=4 3657 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 7a_100011217855_200010402107 [0,1,0,0,0,0|3,0,0]=4 3658 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100011216630 [0,1,0,0,0,0|3,0,0]=4 3659 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243154 [0,1,0,0,0,0|3,0,0]=4 3660 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 34a_200012022750_100011216630 [0,1,0,0,0,0|3,0,0]=4 3661 B15R0.111 CCCC(C)COCCCCCCB(O)O 34a_100000688023_100009817187 [0,1,0,0,0,0|2,0,1]=4 3662 B15R0.111 CCCC(C)COCCCCCCB(O)O 7a_100000688023_100009817187 [0,1,0,0,0,0|2,0,1]=4 3663 B15R0.111 CCCC(C)COCCCCCOC(=O)C 34a_100000688023_100000033007 [0,1,0,0,0,0|3,0,0]=4 3664 B15R0.111 CCCC(C)COCCCCCOC(=O)C 7a_100000688023_100000033007 [0,1,0,0,0,0|3,0,0]=4 3665 B15R0.111 CCCC(C)CSCCCCCCB(O)O 62a_100009817187_100011216630 [0,1,0,0,0,0|2,0,1]=4 3666 B15R0.111 CCCC(C)CSCCCCCCB(O)O 62a_100011216630_100009817187 [0,1,0,0,0,0|2,0,1]=4 3667 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100000033007_100011216630 [0,1,0,0,0,0|3,0,0]=4 3668 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100011216630_100000033007 [0,1,0,0,0,0|3,0,0]=4 3669 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000766640 [0,1,0,0,0,0|3,0,0]=4 3670 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211909 [0,1,0,0,0,0|3,0,0]=4 3671 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100000766640 [0,1,0,0,0,0|3,0,0]=4 3672 B15R0.111 CCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211909 [0,1,0,0,0,0|3,0,0]=4 3673 B15R0.111 CCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_100000766640 [0,1,0,0,0,0|3,0,0]=4 3674 B15R0.111 CCC[C@H](N)CCOCCCCCB(O)O 34a_100015193777_200009817188 [0,1,0,0,0,0|2,0,1]=4 3675 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,1,0,0,0,0|2,0,0]=3 3676 B15R0.111 CCC[C@H](N)CCOCCCCOC(=O)C 34a_100015193777_100000033659 [0,1,0,0,0,0|3,0,0]=4 3677 B15R0.111 CCC[C@H](N)CCOCCCCSC(=O)C 34a_100015193777_200010402107 [0,1,0,0,0,0|3,0,0]=4 3678 B15R0.111 CCC[C@H](N)COCCCCCCB(O)O 34a_100000732646_100009817187 [0,1,0,0,0,0|2,0,1]=4 3679 B15R0.111 CCC[C@H](N)COCCCCCOC(=O)C 34a_100000732646_100000033007 [0,1,0,0,0,0|3,0,0]=4 3680 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,1,0,0,0,0|2,0,1]=4 3681 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,1,0,0,0,0|2,0,1]=4 3682 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,1,0,0,0,0|2,0,1]=4 3683 B15R0.111 CCOC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009814379 [0,1,0,0,0,0|2,0,1]=4 3684 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,1,0,0,0,0|2,0,1]=4 3685 B15R0.129 CCCCCCCC(=O)CCCCB(O)O 1458a_100000211969_200009817182 [0,1,0,0,0,0|1,0,2]=4 3686 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,1,0,0,0,0|1,0,1]=3 3687 B15R0.129 CCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210614 [0,1,0,0,0,0|2,0,1]=4 3688 B15R0.129 CCCCCCCC(=O)CCCOC(=O)C 1458a_100000211969_100000042594 [0,1,0,0,0,0|2,0,1]=4 3689 B15R0.129 CCCCCCCC(=O)CCCSC(=O)C 1458a_100000211969_100000038929 [0,1,0,0,0,0|2,0,1]=4 3690 B15R0.129 CCCCCCCC(=O)CCOCC(=O)N 1458a_100000211969_100000076697 [0,1,0,0,0,0|2,0,1]=4 3691 B15R0.129 CCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210614 [0,1,0,0,0,0|2,0,1]=4 3692 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211969 [0,1,0,0,0,0|2,0,1]=4 3693 B15R0.129 CCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000211969 [0,1,0,0,0,0|2,0,1]=4 3694 B15R0.129 CCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_100009852258 [0,1,0,0,0,0|2,0,1]=4 3695 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,1,0,0,0,0|2,0,0]=3 3696 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218727 [0,1,0,0,0,0|3,0,0]=4 3697 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210596 [0,1,0,0,0,0|3,0,0]=4 3698 B15R0.129 CCCCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218727 [0,1,0,0,0,0|3,0,0]=4 3699 B15R0.129 CCCCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218727 [0,1,0,0,0,0|3,0,0]=4 3700 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,1,0,0,0,0|2,0,0]=3 3701 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,1,0,0,0,0|2,0,0]=3 3702 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,1,0,0,0,0|2,0,0]=3 3703 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,1,0,0,0,0|2,0,0]=3 3704 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,1,0,0,0,0|2,0,0]=3 3705 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,1,0,0,0,0|2,0,0]=3 3706 B15R0.129 CCCCCCCC(C)OCCCC(C)O 34a_200011215852_200000718107 [0,1,0,0,0,0|2,0,1]=4 3707 B15R0.129 CCCCCCCC(C)OCCCC(C)O 7a_200011215852_200000718107 [0,1,0,0,0,0|2,0,1]=4 3708 B15R0.129 CCCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218727 [0,1,0,0,0,0|2,0,1]=4 3709 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218727 [0,1,0,0,0,0|3,0,0]=4 3710 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 7a_200011215852_100000189650 [0,1,0,0,0,0|3,0,0]=4 3711 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218727 [0,1,0,0,0,0|3,0,0]=4 3712 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 7a_200011215852_200000034859 [0,1,0,0,0,0|3,0,0]=4 3713 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 34a_200011215852_100009814007 [0,1,0,0,0,0|3,0,0]=4 3714 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 7a_200011215852_100009814007 [0,1,0,0,0,0|3,0,0]=4 3715 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 34a_200011215852_200011214921 [0,1,0,0,0,0|3,0,0]=4 3716 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218727 [0,1,0,0,0,0|3,0,0]=4 3717 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_200011215852_200011214921 [0,1,0,0,0,0|3,0,0]=4 3718 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,1,0,0,0,0|2,0,0]=3 3719 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,1,0,0,0,0|2,0,0]=3 3720 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,1,0,0,0,0|2,0,0]=3 3721 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,1,0,0,0,0|2,0,0]=3 3722 B15R0.129 CCCCCCCC(C)SCCCC(C)O 62a_200000718107_200011218727 [0,1,0,0,0,0|2,0,1]=4 3723 B15R0.129 CCCCCCCC(C)SCCCC(C)O 62a_200011218727_200000718107 [0,1,0,0,0,0|2,0,1]=4 3724 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218727 [0,1,0,0,0,0|3,0,0]=4 3725 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_200011218727_100000189650 [0,1,0,0,0,0|3,0,0]=4 3726 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218727 [0,1,0,0,0,0|3,0,0]=4 3727 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200011218727_200000034859 [0,1,0,0,0,0|3,0,0]=4 3728 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218727 [0,1,0,0,0,0|3,0,0]=4 3729 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_200011218727_100009814007 [0,1,0,0,0,0|3,0,0]=4 3730 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218727 [0,1,0,0,0,0|3,0,0]=4 3731 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011218727_200011214921 [0,1,0,0,0,0|3,0,0]=4 3732 B15R0.129 CCCCCCCN(C)CCCCB(O)O 2230a_100000228206_200009817182 [0,1,0,0,0,0|2,0,1]=4 3733 B15R0.129 CCCCCCCN(C)CCCCB(O)O 269982a_100000228206_200009817182 [0,1,0,0,0,0|2,0,1]=4 3734 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,1,0,0,0,0|2,0,0]=3 3735 B15R0.129 CCCCCCCN(C)CCCOC(=O)C 269982a_100000228206_100000042594 [0,1,0,0,0,0|3,0,0]=4 3736 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 2230a_100000228206_100000038929 [0,1,0,0,0,0|3,0,0]=4 3737 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 269982a_100000228206_100000038929 [0,1,0,0,0,0|3,0,0]=4 3738 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 2230a_100000228206_100000076697 [0,1,0,0,0,0|3,0,0]=4 3739 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 269982a_100000228206_100000076697 [0,1,0,0,0,0|3,0,0]=4 3740 B15R0.129 COCCCCCC(=O)CCCCC(=O)C 1458a_100011935119_100000735457 [0,1,0,0,0,0|2,0,1]=4 3741 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,1,0,0,0,0|1,0,2]=4 3742 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,1,0,0,0,0|1,0,2]=4 3743 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,1,0,0,0,0|0,0,3]=4 3744 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,1,0,0,0,0|1,0,2]=4 3745 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,1,0,0,0,0|1,0,2]=4 3746 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,1,0,0,0,0|1,0,2]=4 3747 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,1,0,0,0,0|1,0,2]=4 3748 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,1,0,0,0,0|1,0,2]=4 3749 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,1,0,0,0,0|1,0,2]=4 3750 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,1,0,0,0,0|1,0,2]=4 3751 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,1,0,0,0,0|1,0,2]=4 3752 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,1,0,0,0,0|1,0,2]=4 3753 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,1,0,0,0,0|1,0,2]=4 3754 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,1,0,0,0,0|1,0,2]=4 3755 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,1,0,0,0,0|1,0,2]=4 3756 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,1,0,0,0,0|1,0,2]=4 3757 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,1,0,0,0,0|1,0,2]=4 3758 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,1,0,0,0,0|1,0,2]=4 3759 B15R0.164 C#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100012276617 [0,1,0,0,0,0|1,0,2]=4 3760 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,1,0,0,0,0|1,0,2]=4 3761 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,1,0,0,0,0|1,0,2]=4 3762 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,1,0,0,0,0|1,0,2]=4 3763 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,1,0,0,0,0|1,0,2]=4 3764 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,1,0,0,0,0|1,0,2]=4 3765 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,1,0,0,0,0|1,0,2]=4 3766 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,1,0,0,0,0|1,0,2]=4 3767 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,1,0,0,0,0|1,0,2]=4 3768 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,1,0,0,0,0|1,0,2]=4 3769 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,1,0,0,0,0|1,0,2]=4 3770 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,1,0,0,0,0|0,0,3]=4 3771 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,1,0,0,0,0|1,0,2]=4 3772 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,1,0,0,0,0|1,0,2]=4 3773 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,1,0,0,0,0|3,0,0]=4 3774 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,1,0,0,0,0|2,0,0]=3 3775 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,1,0,0,0,0|2,0,0]=3 3776 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 3777 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 3778 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,1,0,0,0,0|3,0,0]=4 3779 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,1,0,0,0,0|3,0,0]=4 3780 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 3781 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,1,0,0,0,0|3,0,0]=4 3782 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,1,0,0,0,0|3,0,0]=4 3783 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,1,0,0,0,0|3,0,0]=4 3784 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,1,0,0,0,0|2,0,0]=3 3785 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,1,0,0,0,0|2,0,0]=3 3786 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 3787 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 3788 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,1,0,0,0,0|3,0,0]=4 3789 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,1,0,0,0,0|3,0,0]=4 3790 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 3791 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,1,0,0,0,0|3,0,0]=4 3792 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,1,0,0,0,0|3,0,0]=4 3793 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,1,0,0,0,0|3,0,0]=4 3794 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,1,0,0,0,0|2,0,0]=3 3795 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,1,0,0,0,0|2,0,0]=3 3796 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 3797 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 3798 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,1,0,0,0,0|3,0,0]=4 3799 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,1,0,0,0,0|3,0,0]=4 3800 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 3801 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,1,0,0,0,0|3,0,0]=4 3802 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,1,0,0,0,0|3,0,0]=4 3803 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,1,0,0,0,0|3,0,0]=4 3804 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,1,0,0,0,0|1,0,2]=4 3805 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,1,0,0,0,0|1,0,2]=4 3806 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,1,0,0,0,0|1,0,2]=4 3807 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,1,0,0,0,0|0,0,2]=3 3808 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,1,0,0,0,0|0,0,3]=4 3809 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,1,0,0,0,0|1,0,2]=4 3810 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,1,0,0,0,0|1,0,2]=4 3811 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,1,0,0,0,0|1,0,2]=4 3812 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,1,0,0,0,0|0,0,3]=4 3813 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,1,0,0,0,0|1,0,2]=4 3814 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,1,0,0,0,0|1,0,2]=4 3815 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,1,0,0,0,0|0,0,3]=4 3816 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,1,0,0,0,0|0,0,3]=4 3817 B15R0.164 C=CCCCCCCCCNOCC(=O)O 269956a_100000106656_100011933949 [0,1,0,0,0,0|1,0,2]=4 3818 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,1,0,0,0,0|1,0,2]=4 3819 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,1,0,0,0,0|1,0,2]=4 3820 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,1,0,0,0,0|1,0,2]=4 3821 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,1,0,0,0,0|1,0,2]=4 3822 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,1,0,0,0,0|1,0,2]=4 3823 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,1,0,0,0,0|1,0,2]=4 3824 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,1,0,0,0,0|1,0,2]=4 3825 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,1,0,0,0,0|1,0,2]=4 3826 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,1,0,0,0,0|1,0,2]=4 3827 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,1,0,0,0,0|1,0,2]=4 3828 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,1,0,0,0,0|1,0,2]=4 3829 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,1,0,0,0,0|1,0,2]=4 3830 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,1,0,0,0,0|1,0,2]=4 3831 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,1,0,0,0,0|1,0,2]=4 3832 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,1,0,0,0,0|1,0,2]=4 3833 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,1,0,0,0,0|1,0,2]=4 3834 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,1,0,0,0,0|1,0,2]=4 3835 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,1,0,0,0,0|1,0,2]=4 3836 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,1,0,0,0,0|1,0,2]=4 3837 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,1,0,0,0,0|1,0,2]=4 3838 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,1,0,0,0,0|1,0,2]=4 3839 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,1,0,0,0,0|1,0,2]=4 3840 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,1,0,0,0,0|1,0,2]=4 3841 B15R0.164 C=CCCCCCCNCCOCC(=O)O 269956a_100000700818_100011215473 [0,1,0,0,0,0|1,0,2]=4 3842 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,1,0,0,0,0|1,0,2]=4 3843 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,1,0,0,0,0|1,0,2]=4 3844 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,1,0,0,0,0|1,0,2]=4 3845 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,1,0,0,0,0|1,0,2]=4 3846 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,1,0,0,0,0|1,0,2]=4 3847 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,1,0,0,0,0|1,0,2]=4 3848 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,1,0,0,0,0|1,0,2]=4 3849 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,1,0,0,0,0|1,0,2]=4 3850 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,1,0,0,0,0|1,0,2]=4 3851 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,1,0,0,0,0|1,0,2]=4 3852 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,1,0,0,0,0|0,0,3]=4 3853 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,1,0,0,0,0|1,0,2]=4 3854 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,1,0,0,0,0|1,0,2]=4 3855 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,1,0,0,0,0|1,0,0]=2 3856 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,1,0,0,0,0|2,0,0]=3 3857 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,1,0,0,0,0|2,0,0]=3 3858 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,1,0,0,0,0|3,0,0]=4 3859 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,1,0,0,0,0|2,0,0]=3 3860 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,1,0,0,0,0|2,0,0]=3 3861 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,1,0,0,0,0|2,0,0]=3 3862 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,1,0,0,0,0|3,0,0]=4 3863 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,1,0,0,0,0|2,0,1]=4 3864 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,1,0,0,0,0|2,0,1]=4 3865 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,1,0,0,0,0|2,0,0]=3 3866 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,1,0,0,0,0|2,0,0]=3 3867 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,1,0,0,0,0|2,0,0]=3 3868 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,1,0,0,0,0|2,0,0]=3 3869 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,1,0,0,0,0|2,0,0]=3 3870 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,1,0,0,0,0|2,0,0]=3 3871 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,1,0,0,0,0|2,0,0]=3 3872 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,1,0,0,0,0|2,0,0]=3 3873 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,1,0,0,0,0|2,0,0]=3 3874 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,1,0,0,0,0|2,0,0]=3 3875 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,1,0,0,0,0|3,0,0]=4 3876 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,1,0,0,0,0|2,0,0]=3 3877 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,1,0,0,0,0|2,0,0]=3 3878 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,1,0,0,0,0|2,0,0]=3 3879 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,1,0,0,0,0|2,0,0]=3 3880 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,1,0,0,0,0|2,0,0]=3 3881 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,1,0,0,0,0|2,0,0]=3 3882 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,1,0,0,0,0|2,0,0]=3 3883 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,1,0,0,0,0|2,0,0]=3 3884 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,1,0,0,0,0|2,0,0]=3 3885 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,1,0,0,0,0|3,0,0]=4 3886 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,1,0,0,0,0|3,0,0]=4 3887 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,1,0,0,0,0|3,0,0]=4 3888 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,1,0,0,0,0|3,0,0]=4 3889 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,1,0,0,0,0|3,0,0]=4 3890 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,1,0,0,0,0|3,0,0]=4 3891 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,1,0,0,0,0|3,0,0]=4 3892 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,1,0,0,0,0|3,0,0]=4 3893 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,1,0,0,0,0|3,0,0]=4 3894 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,1,0,0,0,0|3,0,0]=4 3895 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,1,0,0,0,0|3,0,0]=4 3896 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,1,0,0,0,0|3,0,0]=4 3897 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,1,0,0,0,0|3,0,0]=4 3898 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,1,0,0,0,0|3,0,0]=4 3899 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,1,0,0,0,0|3,0,0]=4 3900 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,1,0,0,0,0|3,0,0]=4 3901 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,1,0,0,0,0|3,0,0]=4 3902 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,1,0,0,0,0|3,0,0]=4 3903 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,1,0,0,0,0|3,0,0]=4 3904 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,1,0,0,0,0|3,0,0]=4 3905 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,1,0,0,0,0|3,0,0]=4 3906 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,1,0,0,0,0|3,0,0]=4 3907 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,1,0,0,0,0|3,0,0]=4 3908 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,1,0,0,0,0|3,0,0]=4 3909 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,1,0,0,0,0|3,0,0]=4 3910 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,1,0,0,0,0|3,0,0]=4 3911 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,1,0,0,0,0|3,0,0]=4 3912 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,1,0,0,0,0|3,0,0]=4 3913 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,1,0,0,0,0|3,0,0]=4 3914 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,1,0,0,0,0|3,0,0]=4 3915 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,1,0,0,0,0|3,0,0]=4 3916 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,1,0,0,0,0|3,0,0]=4 3917 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,1,0,0,0,0|3,0,0]=4 3918 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,1,0,0,0,0|3,0,0]=4 3919 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,1,0,0,0,0|3,0,0]=4 3920 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,1,0,0,0,0|3,0,0]=4 3921 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,1,0,0,0,0|3,0,0]=4 3922 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,1,0,0,0,0|3,0,0]=4 3923 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,1,0,0,0,0|3,0,0]=4 3924 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,1,0,0,0,0|3,0,0]=4 3925 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,1,0,0,0,0|3,0,0]=4 3926 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,1,0,0,0,0|3,0,0]=4 3927 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,1,0,0,0,0|3,0,0]=4 3928 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,1,0,0,0,0|3,0,0]=4 3929 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,1,0,0,0,0|3,0,0]=4 3930 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,1,0,0,0,0|3,0,0]=4 3931 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,1,0,0,0,0|3,0,0]=4 3932 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,1,0,0,0,0|3,0,0]=4 3933 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,1,0,0,0,0|3,0,0]=4 3934 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,1,0,0,0,0|3,0,0]=4 3935 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,1,0,0,0,0|3,0,0]=4 3936 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,1,0,0,0,0|3,0,0]=4 3937 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,1,0,0,0,0|3,0,0]=4 3938 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,1,0,0,0,0|3,0,0]=4 3939 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,1,0,0,0,0|3,0,0]=4 3940 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,1,0,0,0,0|3,0,0]=4 3941 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,1,0,0,0,0|3,0,0]=4 3942 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,1,0,0,0,0|3,0,0]=4 3943 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,1,0,0,0,0|3,0,0]=4 3944 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,1,0,0,0,0|3,0,0]=4 3945 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,1,0,0,0,0|3,0,0]=4 3946 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,1,0,0,0,0|3,0,0]=4 3947 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,1,0,0,0,0|3,0,0]=4 3948 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,1,0,0,0,0|3,0,0]=4 3949 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,1,0,0,0,0|3,0,0]=4 3950 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,1,0,0,0,0|3,0,0]=4 3951 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,1,0,0,0,0|3,0,0]=4 3952 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,1,0,0,0,0|3,0,0]=4 3953 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,1,0,0,0,0|3,0,0]=4 3954 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,1,0,0,0,0|3,0,0]=4 3955 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 3956 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 3957 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,1,0,0,0,0|3,0,0]=4 3958 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,1,0,0,0,0|3,0,0]=4 3959 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,1,0,0,0,0|3,0,0]=4 3960 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,1,0,0,0,0|3,0,0]=4 3961 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,1,0,0,0,0|3,0,0]=4 3962 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,1,0,0,0,0|3,0,0]=4 3963 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 3964 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,1,0,0,0,0|3,0,0]=4 3965 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,1,0,0,0,0|3,0,0]=4 3966 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,1,0,0,0,0|3,0,0]=4 3967 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,1,0,0,0,0|3,0,0]=4 3968 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 3969 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 3970 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,1,0,0,0,0|3,0,0]=4 3971 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,1,0,0,0,0|3,0,0]=4 3972 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 3973 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,1,0,0,0,0|3,0,0]=4 3974 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,1,0,0,0,0|3,0,0]=4 3975 B15R0.164 CC(O)CCCNCCCCCCCCO 2230a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 3976 B15R0.164 CC(O)CCCNCCCCCCCCO 34a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 3977 B15R0.164 CC(O)CCCOCCCCCCCCBr 34a_100009813846_200000718107 [0,1,0,0,0,0|2,0,1]=4 3978 B15R0.164 CC(O)CCCOCCCCCCCCBr 7a_100009813846_200000718107 [0,1,0,0,0,0|2,0,1]=4 3979 B15R0.164 CC(O)CCCOCCCCCCCCCl 34a_100000033203_200000718107 [0,1,0,0,0,0|2,0,1]=4 3980 B15R0.164 CC(O)CCCOCCCCCCCCCl 7a_100000033203_200000718107 [0,1,0,0,0,0|2,0,1]=4 3981 B15R0.164 CC(O)CCCOCCCCCCCCN 34a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 3982 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_100000033203_200000718107 [0,1,0,0,0,0|2,0,1]=4 3983 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_200000718107_100000033203 [0,1,0,0,0,0|2,0,1]=4 3984 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 3985 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_200000755665_100009813782 [0,1,0,0,0,0|2,0,1]=4 3986 B15R0.164 CC(O)CCNCCCCCCCCCO 34a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 3987 B15R0.164 CC(O)CCOCCCCCCCCCBr 34a_100009813782_100012276601 [0,1,0,0,0,0|2,0,1]=4 3988 B15R0.164 CC(O)CCOCCCCCCCCCBr 7a_100009813782_100012276601 [0,1,0,0,0,0|2,0,1]=4 3989 B15R0.164 CC(O)CCOCCCCCCCCCCl 34a_100009868337_100012276601 [0,1,0,0,0,0|2,0,1]=4 3990 B15R0.164 CC(O)CCOCCCCCCCCCCl 7a_100009868337_100012276601 [0,1,0,0,0,0|2,0,1]=4 3991 B15R0.164 CC(O)CCOCCCCCCCCCN 34a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 3992 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100009813782_100012276601 [0,1,0,0,0,0|2,0,1]=4 3993 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100012276601_100009813782 [0,1,0,0,0,0|2,0,1]=4 3994 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 3995 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000210904_100009813290 [0,1,0,0,0,0|2,0,1]=4 3996 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 3997 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000210904_100009813290 [0,1,0,0,0,0|2,0,1]=4 3998 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,1,0,0,0,0|2,0,1]=4 3999 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,1,0,0,0,0|2,0,1]=4 4000 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,1,0,0,0,0|2,0,1]=4 4001 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,1,0,0,0,0|2,0,1]=4 4002 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 4003 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100009813290_100011218427 [0,1,0,0,0,0|2,0,1]=4 4004 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100011218427_200000033068 [0,1,0,0,0,0|2,0,1]=4 4005 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 34a_100016287902_100009817443 [0,1,0,0,0,0|1,0,2]=4 4006 B15R0.164 CC/C=C/CCCOCCCCCC(=O)N 7a_100016287902_100009817443 [0,1,0,0,0,0|1,0,2]=4 4007 B15R0.164 CC/C=C\CCCCCNCCCC(=O)N 269862a_100000739312_100016288537 [0,1,0,0,0,0|1,0,2]=4 4008 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 34a_100016268722_100000685027 [0,1,0,0,0,0|1,0,2]=4 4009 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 7a_100016268722_100011215641 [0,1,0,0,0,0|1,0,2]=4 4010 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 34a_100016268722_100102525003 [0,1,0,0,0,0|1,0,2]=4 4011 B15R0.164 CC/C=C\CCCCCOCCCC(=O)N 7a_100016268722_100102525003 [0,1,0,0,0,0|1,0,2]=4 4012 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 34a_100016287862_100009817362 [0,1,0,0,0,0|1,0,2]=4 4013 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 7a_100016287862_100000735457 [0,1,0,0,0,0|1,0,2]=4 4014 B15R0.164 CCC#CCCCCCCNOCC(=O)O 269956a_100000106656_200000036426 [0,1,0,0,0,0|1,0,2]=4 4015 B15R0.164 CCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000036426 [0,1,0,0,0,0|1,0,2]=4 4016 B15R0.164 CCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000036426 [0,1,0,0,0,0|1,0,2]=4 4017 B15R0.164 CCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000036426 [0,1,0,0,0,0|1,0,2]=4 4018 B15R0.164 CCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000036426 [0,1,0,0,0,0|1,0,2]=4 4019 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000036426 [0,1,0,0,0,0|1,0,2]=4 4020 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_200000036426_100000053229 [0,1,0,0,0,0|1,0,2]=4 4021 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000036426 [0,1,0,0,0,0|1,0,2]=4 4022 B15R0.164 CCC#CCCCCCCSCCC(=O)N 62a_200000036426_100000744528 [0,1,0,0,0,0|1,0,2]=4 4023 B15R0.164 CCCC#CCCOCCCCCC(=O)N 34a_100000042726_100009817443 [0,1,0,0,0,0|1,0,2]=4 4024 B15R0.164 CCCC#CCCOCCCCCC(=O)N 7a_100000042726_100009817443 [0,1,0,0,0,0|1,0,2]=4 4025 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [0,1,0,0,0,0|1,0,2]=4 4026 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 34a_200020645093_100000731001 [0,1,0,0,0,0|1,0,2]=4 4027 B15R0.164 CCCC/C=C/CCCCOCCC(=O)N 7a_200020645093_100000744528 [0,1,0,0,0,0|1,0,2]=4 4028 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 34a_200016272032_100009817443 [0,1,0,0,0,0|1,0,2]=4 4029 B15R0.164 CCCC/C=C/COCCCCCC(=O)N 7a_200016272032_100009817443 [0,1,0,0,0,0|1,0,2]=4 4030 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [0,1,0,0,0,0|1,0,2]=4 4031 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [0,1,0,0,0,0|1,0,2]=4 4032 B15R0.164 CCCCC#CCCCCOCCC(=O)C 7a_200000066234_100000053229 [0,1,0,0,0,0|1,0,2]=4 4033 B15R0.164 CCCCC#CCCCCOCCC(=O)N 34a_200000066234_100000731001 [0,1,0,0,0,0|1,0,2]=4 4034 B15R0.164 CCCCC#CCCCCOCCC(=O)N 7a_200000066234_100000744528 [0,1,0,0,0,0|1,0,2]=4 4035 B15R0.164 CCCCC#CCCCNCCCC(=O)N 34a_100000739312_200000047210 [0,1,0,0,0,0|1,0,2]=4 4036 B15R0.164 CCCCC#CCCCOCCCC(=O)C 34a_100000759063_200000047210 [0,1,0,0,0,0|1,0,2]=4 4037 B15R0.164 CCCCC#CCCCOCCCC(=O)C 7a_100000759063_200000047210 [0,1,0,0,0,0|1,0,2]=4 4038 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_100011215641_200000047210 [0,1,0,0,0,0|1,0,2]=4 4039 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_200000047210_100011215641 [0,1,0,0,0,0|1,0,2]=4 4040 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_100102525003_200000047210 [0,1,0,0,0,0|1,0,2]=4 4041 B15R0.164 CCCCC#CCCCSCCCC(=O)N 62a_200000047210_100102525003 [0,1,0,0,0,0|1,0,2]=4 4042 B15R0.164 CCCCC#CCCOCCCCC(=O)C 34a_100000037610_100009817362 [0,1,0,0,0,0|1,0,2]=4 4043 B15R0.164 CCCCC#CCCOCCCCC(=O)C 7a_100000037610_100000735457 [0,1,0,0,0,0|1,0,2]=4 4044 B15R0.164 CCCCC#CCOCCCCCC(=O)N 34a_200000034558_100009817443 [0,1,0,0,0,0|1,0,2]=4 4045 B15R0.164 CCCCC#CCOCCCCCC(=O)N 7a_200000034558_100009817443 [0,1,0,0,0,0|1,0,2]=4 4046 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [0,1,0,0,0,0|1,0,2]=4 4047 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [0,1,0,0,0,0|1,0,2]=4 4048 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [0,1,0,0,0,0|1,0,2]=4 4049 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 34a_100020655193_100000731001 [0,1,0,0,0,0|1,0,2]=4 4050 B15R0.164 CCCCC/C=C\CCCOCCC(=O)N 7a_100020655193_100000744528 [0,1,0,0,0,0|1,0,2]=4 4051 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [0,1,0,0,0,0|1,0,2]=4 4052 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [0,1,0,0,0,0|1,0,2]=4 4053 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 34a_100016277358_100102525003 [0,1,0,0,0,0|1,0,2]=4 4054 B15R0.164 CCCCC/C=C\CCOCCCC(=O)N 7a_100016277358_100102525003 [0,1,0,0,0,0|1,0,2]=4 4055 B15R0.164 CCCCCC#CCCOCCCC(=O)C 34a_200000042877_100000685027 [0,1,0,0,0,0|1,0,2]=4 4056 B15R0.164 CCCCCC#CCCOCCCC(=O)C 7a_200000042877_100011215641 [0,1,0,0,0,0|1,0,2]=4 4057 B15R0.164 CCCCCC#CCCOCCCC(=O)N 34a_200000042877_100102525003 [0,1,0,0,0,0|1,0,2]=4 4058 B15R0.164 CCCCCC#CCCOCCCC(=O)N 7a_200000042877_100102525003 [0,1,0,0,0,0|1,0,2]=4 4059 B15R0.164 CCCCCC#CCNCCCCC(=O)N 34a_100000696515_100009816472 [0,1,0,0,0,0|1,0,2]=4 4060 B15R0.164 CCCCCC#CCNCCOCC(=O)O 269956a_100000700818_100009816472 [0,1,0,0,0,0|1,0,2]=4 4061 B15R0.164 CCCCCC#CCOCCCCC(=O)C 34a_200000033628_100009817362 [0,1,0,0,0,0|1,0,2]=4 4062 B15R0.164 CCCCCC#CCOCCCCC(=O)C 7a_200000033628_100000735457 [0,1,0,0,0,0|1,0,2]=4 4063 B15R0.164 CCCCCC#CCOCCCCC(=O)N 34a_100012022536_100009816472 [0,1,0,0,0,0|1,0,2]=4 4064 B15R0.164 CCCCCC#CCOCCCCC(=O)N 7a_100012022536_100009816472 [0,1,0,0,0,0|1,0,2]=4 4065 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100000735457_100009816472 [0,1,0,0,0,0|1,0,2]=4 4066 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100009816472_100000735457 [0,1,0,0,0,0|1,0,2]=4 4067 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [0,1,0,0,0,0|1,0,2]=4 4068 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [0,1,0,0,0,0|1,0,2]=4 4069 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [0,1,0,0,0,0|1,0,2]=4 4070 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [0,1,0,0,0,0|1,0,2]=4 4071 B15R0.164 CCCCCCC#CCCOCCC(=O)C 7a_200000033163_100000053229 [0,1,0,0,0,0|1,0,2]=4 4072 B15R0.164 CCCCCCC#CCCOCCC(=O)N 34a_200000033163_100000731001 [0,1,0,0,0,0|1,0,2]=4 4073 B15R0.164 CCCCCCC#CCCOCCC(=O)N 7a_200000033163_100000744528 [0,1,0,0,0,0|1,0,2]=4 4074 B15R0.164 CCCCCCC#CCOCCCC(=O)C 34a_200000037284_100000685027 [0,1,0,0,0,0|1,0,2]=4 4075 B15R0.164 CCCCCCC#CCOCCCC(=O)C 7a_200000037284_100011215641 [0,1,0,0,0,0|1,0,2]=4 4076 B15R0.164 CCCCCCC#CCOCCCC(=O)N 34a_200000037284_100102525003 [0,1,0,0,0,0|1,0,2]=4 4077 B15R0.164 CCCCCCC#CCOCCCC(=O)N 7a_200000037284_100102525003 [0,1,0,0,0,0|1,0,2]=4 4078 B15R0.164 CCCCCCCC#CCOCCC(=O)C 7a_200000061759_100000053229 [0,1,0,0,0,0|1,0,2]=4 4079 B15R0.164 CCCCCCCC#CCOCCC(=O)N 34a_200000061759_100000731001 [0,1,0,0,0,0|1,0,2]=4 4080 B15R0.164 CCCCCCCC#CCOCCC(=O)N 7a_200000061759_100000744528 [0,1,0,0,0,0|1,0,2]=4 4081 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,1,0,0,0,0|1,0,2]=4 4082 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,1,0,0,0,0|1,0,2]=4 4083 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,1,0,0,0,0|0,0,3]=4 4084 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,1,0,0,0,0|2,0,1]=4 4085 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [0,1,0,0,0,0|3,0,0]=4 4086 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [0,1,0,0,0,0|3,0,0]=4 4087 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [0,1,0,0,0,0|3,0,0]=4 4088 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,1,0,0,0,0|1,0,0]=2 4089 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,1,0,0,0,0|1,0,0]=2 4090 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,1,0,0,0,0|1,0,0]=2 4091 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,1,0,0,0,0|1,0,0]=2 4092 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [0,1,0,0,0,0|2,0,1]=4 4093 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [0,1,0,0,0,0|2,0,1]=4 4094 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [0,1,0,0,0,0|2,0,1]=4 4095 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [0,1,0,0,0,0|2,0,1]=4 4096 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,1,0,0,0,0|1,0,0]=2 4097 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,1,0,0,0,0|1,0,0]=2 4098 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,1,0,0,0,0|1,0,0]=2 4099 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,1,0,0,0,0|0,0,0]=1 4100 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,1,0,0,0,0|0,0,1]=2 4101 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215454 [0,1,0,0,0,0|2,0,1]=4 4102 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_200011215754_100000210760 [0,1,0,0,0,0|2,0,1]=4 4103 B15R0.164 CCCCCCCCCCCNCC(C)C 270004a_200011215754_100000210432 [0,1,0,0,0,0|2,0,1]=4 4104 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_100000210953_100011215454 [0,1,0,0,0,0|2,0,1]=4 4105 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_200011215754_100000210624 [0,1,0,0,0,0|2,0,1]=4 4106 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [0,1,0,0,0,0|1,0,1]=3 4107 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [0,1,0,0,0,0|1,0,1]=3 4108 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [0,1,0,0,0,0|1,0,1]=3 4109 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [0,1,0,0,0,0|1,0,1]=3 4110 B15R0.164 CCCCCCCCCCCNCC(F)F 2230a_200011215754_100011934356 [0,1,0,0,0,0|2,0,1]=4 4111 B15R0.164 CCCCCCCCCCCNCC(F)F 34a_100000765723_100011215454 [0,1,0,0,0,0|2,0,1]=4 4112 B15R0.164 CCCCCCCCCCCNCC(F)F 34a_200011215754_100011934356 [0,1,0,0,0,0|2,0,1]=4 4113 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [0,1,0,0,0,0|1,0,1]=3 4114 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [0,1,0,0,0,0|1,0,1]=3 4115 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,1,0,0,0,0|1,0,1]=3 4116 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,1,0,0,0,0|1,0,0]=2 4117 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,1,0,0,0,0|1,0,0]=2 4118 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,1,0,0,0,0|1,0,0]=2 4119 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,1,0,0,0,0|0,0,1]=2 4120 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [0,1,0,0,0,0|2,0,1]=4 4121 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,1,0,0,0,0|1,0,1]=3 4122 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,1,0,0,0,0|1,0,1]=3 4123 B15R0.164 CCCCCCCCCCCOCC(F)F 34a_100000210809_100011934356 [0,1,0,0,0,0|2,0,1]=4 4124 B15R0.164 CCCCCCCCCCCOCC(F)F 34a_100000743014_100011215454 [0,1,0,0,0,0|2,0,1]=4 4125 B15R0.164 CCCCCCCCCCCOCC(F)F 7a_100000210809_100011934356 [0,1,0,0,0,0|2,0,1]=4 4126 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [0,1,0,0,0,0|2,0,1]=4 4127 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,1,0,0,0,0|1,0,1]=3 4128 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,1,0,0,0,0|1,0,1]=3 4129 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,1,0,0,0,0|1,0,1]=3 4130 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,1,0,0,0,0|1,0,0]=2 4131 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,1,0,0,0,0|0,0,1]=2 4132 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [0,1,0,0,0,0|1,0,1]=3 4133 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [0,1,0,0,0,0|1,0,1]=3 4134 B15R0.164 CCCCCCCCCCNCC=C(C)C 2230a_100000684558_100000761012 [0,1,0,0,0,0|2,0,1]=4 4135 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000684558_100000761012 [0,1,0,0,0,0|2,0,1]=4 4136 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210320 [0,1,0,0,0,0|2,0,1]=4 4137 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,1,0,0,0,0|1,0,0]=2 4138 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,1,0,0,0,0|1,0,0]=2 4139 B15R0.164 CCCCCCCCCCNCCC(C)C 2230a_100000684558_100000210312 [0,1,0,0,0,0|2,0,1]=4 4140 B15R0.164 CCCCCCCCCCNCCC(C)C 269862a_100000684558_100000185833 [0,1,0,0,0,0|2,0,1]=4 4141 B15R0.164 CCCCCCCCCCNCCC(C)C 34a_100000684558_100000210312 [0,1,0,0,0,0|2,0,1]=4 4142 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,1,0,0,0,0|1,0,1]=3 4143 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,1,0,0,0,0|1,0,1]=3 4144 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,1,0,0,0,0|1,0,1]=3 4145 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,1,0,0,0,0|2,0,0]=3 4146 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,1,0,0,0,0|1,0,0]=2 4147 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,1,0,0,0,0|1,0,0]=2 4148 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,1,0,0,0,0|1,0,0]=2 4149 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,1,0,0,0,0|1,0,0]=2 4150 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,1,0,0,0,0|1,0,0]=2 4151 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,1,0,0,0,0|1,0,0]=2 4152 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,1,0,0,0,0|1,0,0]=2 4153 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,1,0,0,0,0|1,0,0]=2 4154 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,1,0,0,0,0|1,0,1]=3 4155 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,1,0,0,0,0|1,0,1]=3 4156 B15R0.164 CCCCCCCCCCOCCC(F)F 34a_100103093639_100000210320 [0,1,0,0,0,0|2,0,1]=4 4157 B15R0.164 CCCCCCCCCCOCCN(C)C 7a_100000210711_100000755713 [0,1,0,0,0,0|3,0,0]=4 4158 B15R0.164 CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210320 [0,1,0,0,0,0|2,0,1]=4 4159 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,1,0,0,0,0|2,0,0]=3 4160 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,1,0,0,0,0|1,0,0]=2 4161 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,1,0,0,0,0|1,0,0]=2 4162 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,1,0,0,0,0|1,0,1]=3 4163 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,1,0,0,0,0|2,0,0]=3 4164 B15R0.164 CCCCCCCCCNCCC=C(C)C 2230a_100000212291_100011217483 [0,1,0,0,0,0|2,0,1]=4 4165 B15R0.164 CCCCCCCCCNCCC=C(C)C 34a_100000212291_100011217483 [0,1,0,0,0,0|2,0,1]=4 4166 B15R0.164 CCCCCCCCCNCCC=C(F)F 2230a_100000212291_200009816681 [0,1,0,0,0,0|2,0,1]=4 4167 B15R0.164 CCCCCCCCCNCCC=C(F)F 34a_100000212291_200009816681 [0,1,0,0,0,0|2,0,1]=4 4168 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,1,0,0,0,0|1,0,0]=2 4169 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,1,0,0,0,0|1,0,0]=2 4170 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,1,0,0,0,0|1,0,0]=2 4171 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_100000212291_100011214892 [0,1,0,0,0,0|2,0,1]=4 4172 B15R0.164 CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011214924 [0,1,0,0,0,0|2,0,1]=4 4173 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_100000212291_100011214892 [0,1,0,0,0,0|2,0,1]=4 4174 B15R0.164 CCCCCCCCCNCCCC(C)C 34a_200000737386_100011214924 [0,1,0,0,0,0|2,0,1]=4 4175 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,1,0,0,0,0|1,0,1]=3 4176 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,1,0,0,0,0|1,0,1]=3 4177 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,1,0,0,0,0|2,0,0]=3 4178 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,1,0,0,0,0|2,0,0]=3 4179 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,1,0,0,0,0|2,0,0]=3 4180 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,1,0,0,0,0|2,0,0]=3 4181 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,1,0,0,0,0|2,0,0]=3 4182 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,1,0,0,0,0|2,0,0]=3 4183 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,1,0,0,0,0|2,0,0]=3 4184 B15R0.164 CCCCCCCCCOCCC=C(F)F 34a_100000210712_200009816681 [0,1,0,0,0,0|2,0,1]=4 4185 B15R0.164 CCCCCCCCCOCCC=C(F)F 7a_100000210712_200009816681 [0,1,0,0,0,0|2,0,1]=4 4186 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,1,0,0,0,0|1,0,0]=2 4187 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,1,0,0,0,0|1,0,0]=2 4188 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,1,0,0,0,0|1,0,0]=2 4189 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,1,0,0,0,0|1,0,0]=2 4190 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,1,0,0,0,0|1,0,0]=2 4191 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,1,0,0,0,0|1,0,0]=2 4192 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,1,0,0,0,0|1,0,1]=3 4193 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,1,0,0,0,0|1,0,1]=3 4194 B15R0.164 CCCCCCCCCOCCCN(C)C 7a_100000210712_100000757444 [0,1,0,0,0,0|3,0,0]=4 4195 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,1,0,0,0,0|1,0,1]=3 4196 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,1,0,0,0,0|2,0,0]=3 4197 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,1,0,0,0,0|2,0,0]=3 4198 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,1,0,0,0,0|2,0,0]=3 4199 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,1,0,0,0,0|2,0,0]=3 4200 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,1,0,0,0,0|2,0,0]=3 4201 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,1,0,0,0,0|2,0,0]=3 4202 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,1,0,0,0,0|2,0,0]=3 4203 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,1,0,0,0,0|2,0,0]=3 4204 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,1,0,0,0,0|2,0,0]=3 4205 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,1,0,0,0,0|1,0,0]=2 4206 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,1,0,0,0,0|1,0,0]=2 4207 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,1,0,0,0,0|1,0,1]=3 4208 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,1,0,0,0,0|2,0,0]=3 4209 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,1,0,0,0,0|2,0,0]=3 4210 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,1,0,0,0,0|2,0,0]=3 4211 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,1,0,0,0,0|2,0,0]=3 4212 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,1,0,0,0,0|1,0,1]=3 4213 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,1,0,0,0,0|1,0,1]=3 4214 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,1,0,0,0,0|1,0,0]=2 4215 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,1,0,0,0,0|1,0,0]=2 4216 B15R0.164 CCCCCCCCNCCCCC(C)C 2230a_100000229939_100011216152 [0,1,0,0,0,0|2,0,1]=4 4217 B15R0.164 CCCCCCCCNCCCCC(C)C 34a_100000229939_100011216152 [0,1,0,0,0,0|2,0,1]=4 4218 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,1,0,0,0,0|2,0,0]=3 4219 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,1,0,0,0,0|2,0,0]=3 4220 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [0,1,0,0,0,0|2,1,0]=4 4221 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [0,1,0,0,0,0|2,1,0]=4 4222 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,1,0,0,0,0|2,0,0]=3 4223 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,1,0,0,0,0|2,0,0]=3 4224 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,1,0,0,0,0|2,0,0]=3 4225 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,1,0,0,0,0|2,0,0]=3 4226 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,1,0,0,0,0|1,0,0]=2 4227 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,1,0,0,0,0|1,0,1]=3 4228 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,1,0,0,0,0|1,0,1]=3 4229 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,1,0,0,0,0|1,0,0]=2 4230 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,1,0,0,0,0|1,0,0]=2 4231 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,1,0,0,0,0|1,0,0]=2 4232 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,1,0,0,0,0|1,0,0]=2 4233 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,1,0,0,0,0|1,0,1]=3 4234 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,1,0,0,0,0|1,0,1]=3 4235 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,1,0,0,0,0|2,0,0]=3 4236 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,1,0,0,0,0|2,0,0]=3 4237 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,1,0,0,0,0|2,0,0]=3 4238 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [0,1,0,0,0,0|2,1,0]=4 4239 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [0,1,0,0,0,0|2,1,0]=4 4240 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,1,0,0,0,0|2,0,0]=3 4241 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,1,0,0,0,0|2,0,0]=3 4242 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,1,0,0,0,0|2,0,0]=3 4243 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,1,0,0,0,0|2,0,0]=3 4244 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,1,0,0,0,0|1,0,1]=3 4245 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,1,0,0,0,0|1,0,1]=3 4246 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,1,0,0,0,0|1,0,0]=2 4247 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,1,0,0,0,0|1,0,0]=2 4248 B15R0.164 CCCCCCCCSCCCCN(C)C 62a_100000210759_100000690147 [0,1,0,0,0,0|3,0,0]=4 4249 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,1,0,0,0,0|2,0,0]=3 4250 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,1,0,0,0,0|2,0,0]=3 4251 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [0,1,0,0,0,0|2,1,0]=4 4252 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [0,1,0,0,0,0|2,1,0]=4 4253 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,1,0,0,0,0|2,0,0]=3 4254 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,1,0,0,0,0|2,0,0]=3 4255 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,1,0,0,0,0|2,0,0]=3 4256 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,1,0,0,0,0|2,0,0]=3 4257 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [0,1,0,0,0,0|1,0,1]=3 4258 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,1,0,0,0,0|1,0,0]=2 4259 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100000229938_100000210682 [0,1,0,0,0,0|2,0,1]=4 4260 B15R0.164 CCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210681 [0,1,0,0,0,0|2,0,1]=4 4261 B15R0.164 CCCCCCCNCCCCCC(C)C 34a_100011290863_100000210614 [0,1,0,0,0,0|2,0,1]=4 4262 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,1,0,0,0,0|2,0,0]=3 4263 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,1,0,0,0,0|2,0,0]=3 4264 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,1,0,0,0,0|2,0,0]=3 4265 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [0,1,0,0,0,0|1,0,1]=3 4266 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [0,1,0,0,0,0|1,0,1]=3 4267 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,1,0,0,0,0|1,0,0]=2 4268 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,1,0,0,0,0|1,0,0]=2 4269 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,1,0,0,0,0|1,0,0]=2 4270 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,1,0,0,0,0|1,0,0]=2 4271 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,1,0,0,0,0|0,0,1]=2 4272 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,1,0,0,0,0|2,0,0]=3 4273 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,1,0,0,0,0|2,0,0]=3 4274 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,1,0,0,0,0|2,0,0]=3 4275 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,1,0,0,0,0|2,0,0]=3 4276 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210272_100015694321 [0,1,0,0,0,0|2,0,1]=4 4277 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210272_100015694321 [0,1,0,0,0,0|2,0,1]=4 4278 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,1,0,0,0,0|2,0,0]=3 4279 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,1,0,0,0,0|2,0,0]=3 4280 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [0,1,0,0,0,0|3,0,0]=4 4281 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [0,1,0,0,0,0|1,0,1]=3 4282 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [0,1,0,0,0,0|1,0,1]=3 4283 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,1,0,0,0,0|1,0,0]=2 4284 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,1,0,0,0,0|1,0,0]=2 4285 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,1,0,0,0,0|2,0,0]=3 4286 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,1,0,0,0,0|2,0,0]=3 4287 B15R0.164 CCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210614_100015694321 [0,1,0,0,0,0|2,0,1]=4 4288 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,1,0,0,0,0|2,0,0]=3 4289 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,1,0,0,0,0|2,0,0]=3 4290 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [0,1,0,0,0,0|3,0,0]=4 4291 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [0,1,0,0,0,0|3,0,0]=4 4292 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [0,1,0,0,0,0|1,0,1]=3 4293 B15R0.164 CCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210314 [0,1,0,0,0,0|2,0,1]=4 4294 B15R0.164 CCCCCCNCCCCCCC(C)C 34a_100000211014_100000210314 [0,1,0,0,0,0|2,0,1]=4 4295 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,1,0,0,0,0|2,0,0]=3 4296 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,1,0,0,0,0|2,0,0]=3 4297 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,1,0,0,0,0|2,0,0]=3 4298 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [0,1,0,0,0,0|3,0,0]=4 4299 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [0,1,0,0,0,0|1,0,1]=3 4300 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [0,1,0,0,0,0|1,0,1]=3 4301 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,1,0,0,0,0|2,0,0]=3 4302 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,1,0,0,0,0|2,0,0]=3 4303 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,1,0,0,0,0|2,0,0]=3 4304 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,1,0,0,0,0|2,0,0]=3 4305 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,1,0,0,0,0|2,0,0]=3 4306 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,1,0,0,0,0|2,0,0]=3 4307 B15R0.164 CCCCCCOCCOCCCC(C)O 34a_100000691444_200000718107 [0,1,0,0,0,0|2,0,1]=4 4308 B15R0.164 CCCCCCOCCOCCCC(C)O 7a_100000691444_200000718107 [0,1,0,0,0,0|2,0,1]=4 4309 B15R0.164 CCCCCCOCCOCCNC(=O)C 7a_100000691444_100000189650 [0,1,0,0,0,0|3,0,0]=4 4310 B15R0.164 CCCCCCOCCOCCNC(=O)N 7a_100000691444_200000034859 [0,1,0,0,0,0|3,0,0]=4 4311 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [0,1,0,0,0,0|3,0,0]=4 4312 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [0,1,0,0,0,0|3,0,0]=4 4313 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [0,1,0,0,0,0|3,0,0]=4 4314 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [0,1,0,0,0,0|3,0,0]=4 4315 B15R0.164 CCCCCCOCCOCCOC(=O)N 34a_100000691444_200011214921 [0,1,0,0,0,0|3,0,0]=4 4316 B15R0.164 CCCCCCOCCOCCOC(=O)N 7a_100000691444_200011214921 [0,1,0,0,0,0|3,0,0]=4 4317 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [0,1,0,0,0,0|1,0,1]=3 4318 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [0,1,0,0,0,0|1,0,1]=3 4319 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,1,0,0,0,0|2,0,0]=3 4320 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,1,0,0,0,0|2,0,0]=3 4321 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [0,1,0,0,0,0|3,0,0]=4 4322 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [0,1,0,0,0,0|3,0,0]=4 4323 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,1,0,0,0,0|2,0,0]=3 4324 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,1,0,0,0,0|2,0,0]=3 4325 B15R0.164 CCCCCNCCOCCCCB(O)O 34a_100000224656_200009817182 [0,1,0,0,0,0|2,0,1]=4 4326 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,1,0,0,0,0|2,0,0]=3 4327 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [0,1,0,0,0,0|3,0,0]=4 4328 B15R0.164 CCCCCNCCOCCCSC(=O)C 34a_100000224656_100000038929 [0,1,0,0,0,0|3,0,0]=4 4329 B15R0.164 CCCCCNCCOCCOCC(=O)N 34a_100000224656_100000076697 [0,1,0,0,0,0|3,0,0]=4 4330 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,1,0,0,0,0|2,0,0]=3 4331 B15R0.164 CCCCCOCCOCCCCB(O)O 34a_100011215259_200009817182 [0,1,0,0,0,0|2,0,1]=4 4332 B15R0.164 CCCCCOCCOCCCCB(O)O 7a_100011215259_200009817182 [0,1,0,0,0,0|2,0,1]=4 4333 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,1,0,0,0,0|2,0,0]=3 4334 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,1,0,0,0,0|2,0,0]=3 4335 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [0,1,0,0,0,0|3,0,0]=4 4336 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [0,1,0,0,0,0|3,0,0]=4 4337 B15R0.164 CCCCCOCCOCCCSC(=O)C 34a_100011215259_100000038929 [0,1,0,0,0,0|3,0,0]=4 4338 B15R0.164 CCCCCOCCOCCCSC(=O)C 7a_100011215259_100000038929 [0,1,0,0,0,0|3,0,0]=4 4339 B15R0.164 CCCCCOCCOCCOCC(=O)N 34a_100011215259_100000076697 [0,1,0,0,0,0|3,0,0]=4 4340 B15R0.164 CCCCCOCCOCCOCC(=O)N 7a_100011215259_100000076697 [0,1,0,0,0,0|3,0,0]=4 4341 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,1,0,0,0,0|2,0,0]=3 4342 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,1,0,0,0,0|2,0,0]=3 4343 B15R0.164 CCCCNCCCCOCCCC(C)O 34a_200011216965_200000718107 [0,1,0,0,0,0|2,0,1]=4 4344 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [0,1,0,0,0,0|3,0,0]=4 4345 B15R0.164 CCCCNCCCCOCCOC(=O)N 34a_200011216965_200011214921 [0,1,0,0,0,0|3,0,0]=4 4346 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,1,0,0,0,0|2,0,0]=3 4347 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,1,0,0,0,0|2,0,0]=3 4348 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,1,0,0,0,0|2,0,0]=3 4349 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,1,0,0,0,0|2,0,0]=3 4350 B15R0.164 CCCCOCCCCOCCCC(C)O 34a_200000760531_200000718107 [0,1,0,0,0,0|2,0,1]=4 4351 B15R0.164 CCCCOCCCCOCCCC(C)O 7a_200000760531_200000718107 [0,1,0,0,0,0|2,0,1]=4 4352 B15R0.164 CCCCOCCCCOCCNC(=O)C 7a_200000760531_100000189650 [0,1,0,0,0,0|3,0,0]=4 4353 B15R0.164 CCCCOCCCCOCCNC(=O)N 7a_200000760531_200000034859 [0,1,0,0,0,0|3,0,0]=4 4354 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [0,1,0,0,0,0|3,0,0]=4 4355 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [0,1,0,0,0,0|3,0,0]=4 4356 B15R0.164 CCCCOCCCCOCCOC(=O)N 34a_200000760531_200011214921 [0,1,0,0,0,0|3,0,0]=4 4357 B15R0.164 CCCCOCCCCOCCOC(=O)N 7a_200000760531_200011214921 [0,1,0,0,0,0|3,0,0]=4 4358 B15R0.164 CCCCOCCCNCCCCB(O)O 2230a_200000211371_200009817182 [0,1,0,0,0,0|2,0,1]=4 4359 B15R0.164 CCCCOCCCNCCCCB(O)O 34a_200000211371_200009817182 [0,1,0,0,0,0|2,0,1]=4 4360 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,1,0,0,0,0|2,0,0]=3 4361 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [0,1,0,0,0,0|3,0,0]=4 4362 B15R0.164 CCCCOCCCNCCCSC(=O)C 2230a_200000211371_100000038929 [0,1,0,0,0,0|3,0,0]=4 4363 B15R0.164 CCCCOCCCNCCCSC(=O)C 34a_200000211371_100000038929 [0,1,0,0,0,0|3,0,0]=4 4364 B15R0.164 CCCCOCCCNCCOCC(=O)N 2230a_200000211371_100000076697 [0,1,0,0,0,0|3,0,0]=4 4365 B15R0.164 CCCCOCCCNCCOCC(=O)N 34a_200000211371_100000076697 [0,1,0,0,0,0|3,0,0]=4 4366 B15R0.164 CCCCOCCCOCCCCB(O)O 34a_200011215613_200009817182 [0,1,0,0,0,0|2,0,1]=4 4367 B15R0.164 CCCCOCCCOCCCCB(O)O 7a_200011215613_200009817182 [0,1,0,0,0,0|2,0,1]=4 4368 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,1,0,0,0,0|2,0,0]=3 4369 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,1,0,0,0,0|2,0,0]=3 4370 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [0,1,0,0,0,0|3,0,0]=4 4371 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [0,1,0,0,0,0|3,0,0]=4 4372 B15R0.164 CCCCOCCCOCCCSC(=O)C 34a_200011215613_100000038929 [0,1,0,0,0,0|3,0,0]=4 4373 B15R0.164 CCCCOCCCOCCCSC(=O)C 7a_200011215613_100000038929 [0,1,0,0,0,0|3,0,0]=4 4374 B15R0.164 CCCCOCCCOCCOCC(=O)N 34a_200011215613_100000076697 [0,1,0,0,0,0|3,0,0]=4 4375 B15R0.164 CCCCOCCCOCCOCC(=O)N 7a_200011215613_100000076697 [0,1,0,0,0,0|3,0,0]=4 4376 B15R0.164 CCCCOCCNCCCCNC(=O)C 2230a_200011368371_100000743108 [0,1,0,0,0,0|3,0,0]=4 4377 B15R0.164 CCCCOCCNCCCCNC(=O)C 34a_200011368371_100000743108 [0,1,0,0,0,0|3,0,0]=4 4378 B15R0.164 CCCCOCCOCCCCCB(O)O 34a_100000210238_200009817188 [0,1,0,0,0,0|2,0,1]=4 4379 B15R0.164 CCCCOCCOCCCCCB(O)O 7a_100000210238_200009817188 [0,1,0,0,0,0|2,0,1]=4 4380 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,1,0,0,0,0|2,0,0]=3 4381 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,1,0,0,0,0|2,0,0]=3 4382 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,1,0,0,0,0|2,0,0]=3 4383 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,1,0,0,0,0|2,0,0]=3 4384 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,1,0,0,0,0|1,0,1]=3 4385 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [0,1,0,0,0,0|3,0,0]=4 4386 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [0,1,0,0,0,0|3,0,0]=4 4387 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [0,1,0,0,0,0|3,0,0]=4 4388 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [0,1,0,0,0,0|3,0,0]=4 4389 B15R0.164 CCCCOCCOCCCCSC(=O)C 34a_100000210238_200010402107 [0,1,0,0,0,0|3,0,0]=4 4390 B15R0.164 CCCCOCCOCCCCSC(=O)C 7a_100000210238_200010402107 [0,1,0,0,0,0|3,0,0]=4 4391 B15R0.164 CCCCOCCOCCOCCC(=O)C 7a_100011215186_100000053229 [0,1,0,0,0,0|3,0,0]=4 4392 B15R0.164 CCCCOCCOCCOCCC(=O)N 34a_100011215186_100000731001 [0,1,0,0,0,0|3,0,0]=4 4393 B15R0.164 CCCCOCCOCCOCCC(=O)N 7a_100011215186_100000744528 [0,1,0,0,0,0|3,0,0]=4 4394 B15R0.164 CCCCOCCSCCCCCB(O)O 62a_100000743108_200009817188 [0,1,0,0,0,0|2,0,1]=4 4395 B15R0.164 CCCCOCCSCCCCCB(O)O 62a_200009817188_100000743108 [0,1,0,0,0,0|2,0,1]=4 4396 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,1,0,0,0,0|2,0,0]=3 4397 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,1,0,0,0,0|2,0,0]=3 4398 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [0,1,0,0,0,0|3,0,0]=4 4399 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [0,1,0,0,0,0|3,0,0]=4 4400 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_100000743108_200010402107 [0,1,0,0,0,0|3,0,0]=4 4401 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_200010402107_100000743108 [0,1,0,0,0,0|3,0,0]=4 4402 B15R0.164 CCCCOCNCCCCCNC(=O)C 2230a_200012022750_100011995733 [0,1,0,0,0,0|3,0,0]=4 4403 B15R0.164 CCCCOCNCCCCCNC(=O)C 34a_200012022750_100011995733 [0,1,0,0,0,0|3,0,0]=4 4404 B15R0.164 CCCCOCSCCCCCCB(O)O 62a_100009817187_100011995733 [0,1,0,0,0,0|2,0,1]=4 4405 B15R0.164 CCCCOCSCCCCCCB(O)O 62a_100011995733_100009817187 [0,1,0,0,0,0|2,0,1]=4 4406 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [0,1,0,0,0,0|3,0,0]=4 4407 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [0,1,0,0,0,0|3,0,0]=4 4408 B15R0.164 CCCCSCCNCCCCCB(O)O 2230a_100025743550_200009817188 [0,1,0,0,0,0|2,0,1]=4 4409 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,1,0,0,0,0|2,0,0]=3 4410 B15R0.164 CCCCSCCNCCCCSC(=O)C 2230a_100025743550_200010402107 [0,1,0,0,0,0|3,0,0]=4 4411 B15R0.164 CCCCSCCOCCCCCB(O)O 34a_200000230436_200009817188 [0,1,0,0,0,0|2,0,1]=4 4412 B15R0.164 CCCCSCCOCCCCCB(O)O 7a_200000230436_200009817188 [0,1,0,0,0,0|2,0,1]=4 4413 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,1,0,0,0,0|2,0,0]=3 4414 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,1,0,0,0,0|2,0,0]=3 4415 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [0,1,0,0,0,0|3,0,0]=4 4416 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [0,1,0,0,0,0|3,0,0]=4 4417 B15R0.164 CCCCSCCOCCCCSC(=O)C 34a_200000230436_200010402107 [0,1,0,0,0,0|3,0,0]=4 4418 B15R0.164 CCCCSCCOCCCCSC(=O)C 7a_200000230436_200010402107 [0,1,0,0,0,0|3,0,0]=4 4419 B15R0.164 CCCOCCCNCCCCCB(O)O 2230a_100011217757_200009817188 [0,1,0,0,0,0|2,0,1]=4 4420 B15R0.164 CCCOCCCNCCCCCB(O)O 34a_100011217757_200009817188 [0,1,0,0,0,0|2,0,1]=4 4421 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,1,0,0,0,0|2,0,0]=3 4422 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,1,0,0,0,0|2,0,0]=3 4423 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [0,1,0,0,0,0|3,0,0]=4 4424 B15R0.164 CCCOCCCNCCCCSC(=O)C 2230a_100011217757_200010402107 [0,1,0,0,0,0|3,0,0]=4 4425 B15R0.164 CCCOCCCNCCCCSC(=O)C 34a_100011217757_200010402107 [0,1,0,0,0,0|3,0,0]=4 4426 B15R0.164 CCCOCCNCCCCCCB(O)O 2230a_100161115042_100009817187 [0,1,0,0,0,0|2,0,1]=4 4427 B15R0.164 CCCOCCNCCCCCCB(O)O 34a_100161115042_100009817187 [0,1,0,0,0,0|2,0,1]=4 4428 B15R0.164 CCCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215938 [0,1,0,0,0,0|3,0,0]=4 4429 B15R0.164 CCCOCCNCCCCCNC(=O)C 34a_200012022750_100011215938 [0,1,0,0,0,0|3,0,0]=4 4430 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [0,1,0,0,0,0|3,0,0]=4 4431 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [0,1,0,0,0,0|3,0,0]=4 4432 B15R0.164 CCCOCCOCCCCCCB(O)O 34a_100000752267_100009817187 [0,1,0,0,0,0|2,0,1]=4 4433 B15R0.164 CCCOCCOCCCCCCB(O)O 7a_100000752267_100009817187 [0,1,0,0,0,0|2,0,1]=4 4434 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [0,1,0,0,0,0|3,0,0]=4 4435 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [0,1,0,0,0,0|3,0,0]=4 4436 B15R0.164 CCCOCCOCCNCCCC(=O)C 34a_200011904461_100000685027 [0,1,0,0,0,0|3,0,0]=4 4437 B15R0.164 CCCOCCOCCNCCCC(=O)N 34a_200011904461_100102525003 [0,1,0,0,0,0|3,0,0]=4 4438 B15R0.164 CCCOCCSCCCCCCB(O)O 62a_100009817187_100011215938 [0,1,0,0,0,0|2,0,1]=4 4439 B15R0.164 CCCOCCSCCCCCCB(O)O 62a_100011215938_100009817187 [0,1,0,0,0,0|2,0,1]=4 4440 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [0,1,0,0,0,0|3,0,0]=4 4441 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [0,1,0,0,0,0|3,0,0]=4 4442 B15R0.164 CCCSCCNCCCCCCB(O)O 2230a_100020603323_100009817187 [0,1,0,0,0,0|2,0,1]=4 4443 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [0,1,0,0,0,0|3,0,0]=4 4444 B15R0.164 CCCSCCOCCCCCCB(O)O 34a_200000230433_100009817187 [0,1,0,0,0,0|2,0,1]=4 4445 B15R0.164 CCCSCCOCCCCCCB(O)O 7a_200000230433_100009817187 [0,1,0,0,0,0|2,0,1]=4 4446 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [0,1,0,0,0,0|3,0,0]=4 4447 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [0,1,0,0,0,0|3,0,0]=4 4448 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,1,0,0,0,0|1,0,0]=2 4449 B15R0.164 CCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210202 [0,1,0,0,0,0|3,0,0]=4 4450 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,1,0,0,0,0|1,0,0]=2 4451 B15R0.164 CCOCCCNCCCCCCB(O)O 2230a_100000210961_100009817187 [0,1,0,0,0,0|2,0,1]=4 4452 B15R0.164 CCOCCCNCCCCCCB(O)O 34a_100000210961_100009817187 [0,1,0,0,0,0|2,0,1]=4 4453 B15R0.164 CCOCCCNCCCCCNC(=O)C 2230a_200012022750_100012232248 [0,1,0,0,0,0|3,0,0]=4 4454 B15R0.164 CCOCCCNCCCCCNC(=O)C 34a_200012022750_100012232248 [0,1,0,0,0,0|3,0,0]=4 4455 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [0,1,0,0,0,0|3,0,0]=4 4456 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [0,1,0,0,0,0|3,0,0]=4 4457 B15R0.164 CCOCCCOCCCCCCB(O)O 34a_100000757476_100009817187 [0,1,0,0,0,0|2,0,1]=4 4458 B15R0.164 CCOCCCOCCCCCCB(O)O 7a_100000757476_100009817187 [0,1,0,0,0,0|2,0,1]=4 4459 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [0,1,0,0,0,0|3,0,0]=4 4460 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [0,1,0,0,0,0|3,0,0]=4 4461 B15R0.164 CCOCCCSCCCCCCB(O)O 62a_100009817187_100012232248 [0,1,0,0,0,0|2,0,1]=4 4462 B15R0.164 CCOCCCSCCCCCCB(O)O 62a_100012232248_100009817187 [0,1,0,0,0,0|2,0,1]=4 4463 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [0,1,0,0,0,0|3,0,0]=4 4464 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [0,1,0,0,0,0|3,0,0]=4 4465 B15R0.164 CCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215890 [0,1,0,0,0,0|3,0,0]=4 4466 B15R0.164 CCOCCNCCCCCCNC(=O)C 34a_200011996284_100000210147 [0,1,0,0,0,0|3,0,0]=4 4467 B15R0.164 CCOCCNCCOCCOCC(=O)O 269956a_100009854275_100000210147 [0,1,0,0,0,0|3,0,0]=4 4468 B15R0.164 CCOCCOCCNCCCCC(=O)C 34a_100102712874_100009817362 [0,1,0,0,0,0|3,0,0]=4 4469 B15R0.164 CCOCCOCCNCCCCC(=O)N 34a_100000696515_100011211534 [0,1,0,0,0,0|3,0,0]=4 4470 B15R0.164 CCOCCOCCNCCOCC(=O)O 269956a_100000700818_100011211534 [0,1,0,0,0,0|3,0,0]=4 4471 B15R0.164 CCOCCOCCOCCCCC(=O)C 34a_100000210240_100009817362 [0,1,0,0,0,0|3,0,0]=4 4472 B15R0.164 CCOCCOCCOCCCCC(=O)C 7a_100000210240_100000735457 [0,1,0,0,0,0|3,0,0]=4 4473 B15R0.164 CCOCCOCCOCCCCC(=O)N 34a_100012022536_100011211534 [0,1,0,0,0,0|3,0,0]=4 4474 B15R0.164 CCOCCOCCOCCCCC(=O)N 7a_100012022536_100011211534 [0,1,0,0,0,0|3,0,0]=4 4475 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100000735457_100011211534 [0,1,0,0,0,0|3,0,0]=4 4476 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100011211534_100000735457 [0,1,0,0,0,0|3,0,0]=4 4477 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,1,0,0,0,0|1,0,0]=2 4478 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,1,0,0,0,0|1,0,0]=2 4479 B15R0.164 CCSCCCOCCCCCCB(O)O 34a_100011216438_100009817187 [0,1,0,0,0,0|2,0,1]=4 4480 B15R0.164 CCSCCCOCCCCCCB(O)O 7a_100011216438_100009817187 [0,1,0,0,0,0|2,0,1]=4 4481 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [0,1,0,0,0,0|3,0,0]=4 4482 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [0,1,0,0,0,0|3,0,0]=4 4483 B15R0.164 CCSCCNCCCCCCNC(=O)C 2230a_200011996284_100000757381 [0,1,0,0,0,0|3,0,0]=4 4484 B15R0.164 CCSCCNCCCCCCNC(=O)C 34a_200011996284_100000757381 [0,1,0,0,0,0|3,0,0]=4 4485 B15R0.164 CCSCCNCCOCCOCC(=O)O 269956a_100009854275_100000757381 [0,1,0,0,0,0|3,0,0]=4 4486 B15R0.164 CN(C)CCCCCCCCCCCCO 2230a_100102631434_100009813331 [0,1,0,0,0,0|3,0,0]=4 4487 B15R0.164 CN(C)CCCCCCCCCCCCO 269982a_100102631434_100009813331 [0,1,0,0,0,0|3,0,0]=4 4488 B15R0.164 CNCCCCCOCCCCCB(O)O 34a_100000722520_200009817188 [0,1,0,0,0,0|2,0,1]=4 4489 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,1,0,0,0,0|2,0,0]=3 4490 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [0,1,0,0,0,0|3,0,0]=4 4491 B15R0.164 CNCCCCCOCCCCSC(=O)C 34a_100000722520_200010402107 [0,1,0,0,0,0|3,0,0]=4 4492 B15R0.164 CNCCOCCOCCCCCC(=O)N 34a_100000228057_100009817443 [0,1,0,0,0,0|3,0,0]=4 4493 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,1,0,0,0,0|2,0,0]=3 4494 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,1,0,0,0,0|3,0,0]=4 4495 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,1,0,0,0,0|2,0,0]=3 4496 B15R0.164 COCCCCCCOCCCCB(O)O 34a_200012092642_200009817182 [0,1,0,0,0,0|2,0,1]=4 4497 B15R0.164 COCCCCCCOCCCCB(O)O 7a_200012092642_200009817182 [0,1,0,0,0,0|2,0,1]=4 4498 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,1,0,0,0,0|2,0,0]=3 4499 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,1,0,0,0,0|2,0,0]=3 4500 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,1,0,0,0,0|2,0,0]=3 4501 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,1,0,0,0,0|2,0,0]=3 4502 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011998445 [0,1,0,0,0,0|2,0,1]=4 4503 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011998445 [0,1,0,0,0,0|2,0,1]=4 4504 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,1,0,0,0,0|3,0,0]=4 4505 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,1,0,0,0,0|3,0,0]=4 4506 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,1,0,0,0,0|3,0,0]=4 4507 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,1,0,0,0,0|3,0,0]=4 4508 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,1,0,0,0,0|3,0,0]=4 4509 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,1,0,0,0,0|3,0,0]=4 4510 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,1,0,0,0,0|3,0,0]=4 4511 B15R0.164 COCCCCCCSCCCCB(O)O 62a_100011998445_200009817182 [0,1,0,0,0,0|2,0,1]=4 4512 B15R0.164 COCCCCCCSCCCCB(O)O 62a_200009817182_100011998445 [0,1,0,0,0,0|2,0,1]=4 4513 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,1,0,0,0,0|2,0,0]=3 4514 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,1,0,0,0,0|2,0,0]=3 4515 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,1,0,0,0,0|3,0,0]=4 4516 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,1,0,0,0,0|3,0,0]=4 4517 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,1,0,0,0,0|3,0,0]=4 4518 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,1,0,0,0,0|3,0,0]=4 4519 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,1,0,0,0,0|3,0,0]=4 4520 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,1,0,0,0,0|3,0,0]=4 4521 B15R0.164 COCCCCCNCCCCCB(O)O 2230a_100000747528_200009817188 [0,1,0,0,0,0|2,0,1]=4 4522 B15R0.164 COCCCCCNCCCCCB(O)O 34a_100000747528_200009817188 [0,1,0,0,0,0|2,0,1]=4 4523 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,1,0,0,0,0|2,0,0]=3 4524 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,1,0,0,0,0|2,0,0]=3 4525 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,1,0,0,0,0|3,0,0]=4 4526 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,1,0,0,0,0|3,0,0]=4 4527 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,1,0,0,0,0|3,0,0]=4 4528 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,1,0,0,0,0|3,0,0]=4 4529 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,1,0,0,0,0|3,0,0]=4 4530 B15R0.164 COCCCCOCCCCCCB(O)O 34a_100000740925_100009817187 [0,1,0,0,0,0|2,0,1]=4 4531 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,1,0,0,0,0|3,0,0]=4 4532 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100000730899_100009817187 [0,1,0,0,0,0|2,0,1]=4 4533 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100009817187_100000730899 [0,1,0,0,0,0|2,0,1]=4 4534 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,1,0,0,0,0|3,0,0]=4 4535 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,1,0,0,0,0|3,0,0]=4 4536 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,1,0,0,0,0|3,0,0]=4 4537 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,1,0,0,0,0|3,0,0]=4 4538 B15R0.164 COCCCNCCOCCOCC(=O)O 269956a_100009854275_100000740836 [0,1,0,0,0,0|3,0,0]=4 4539 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,1,0,0,0,0|3,0,0]=4 4540 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,1,0,0,0,0|3,0,0]=4 4541 B15R0.164 COCCCOCCCOCCCC(=O)N 34a_200011215475_100102525003 [0,1,0,0,0,0|3,0,0]=4 4542 B15R0.164 COCCCOCCCOCCCC(=O)N 7a_200011215475_100102525003 [0,1,0,0,0,0|3,0,0]=4 4543 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,1,0,0,0,0|3,0,0]=4 4544 B15R0.164 COCCOCCCNCCCCC(=O)N 34a_100000696515_100011216529 [0,1,0,0,0,0|3,0,0]=4 4545 B15R0.164 COCCOCCCNCCOCC(=O)O 269956a_100000700818_100011216529 [0,1,0,0,0,0|3,0,0]=4 4546 B15R0.164 COCCOCCCOCCCCC(=O)N 34a_100012022536_100011216529 [0,1,0,0,0,0|3,0,0]=4 4547 B15R0.164 COCCOCCCOCCCCC(=O)N 7a_100012022536_100011216529 [0,1,0,0,0,0|3,0,0]=4 4548 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,1,0,0,0,0|3,0,0]=4 4549 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,1,0,0,0,0|3,0,0]=4 4550 B15R0.164 COCCOCCNCCCCCC(=O)N 2230a_100000745349_100009817443 [0,1,0,0,0,0|3,0,0]=4 4551 B15R0.164 COCCOCCNCCCCCC(=O)N 34a_100000745349_100009817443 [0,1,0,0,0,0|3,0,0]=4 4552 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100000123541_100000695917 [0,1,0,0,0,0|3,0,0]=4 4553 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100011215163_100009817443 [0,1,0,0,0,0|3,0,0]=4 4554 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100000123541_100000695917 [0,1,0,0,0,0|3,0,0]=4 4555 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100011215163_100009817443 [0,1,0,0,0,0|3,0,0]=4 4556 B15R0.164 COCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000695917 [0,1,0,0,0,0|2,0,1]=4 4557 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100000695917_100009817443 [0,1,0,0,0,0|3,0,0]=4 4558 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100009817443_100000695917 [0,1,0,0,0,0|3,0,0]=4 4559 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,1,0,0,0,0|3,0,0]=4 4560 B15R0.164 CSCCCCOCCCCCCB(O)O 34a_100011217163_100009817187 [0,1,0,0,0,0|2,0,1]=4 4561 B15R0.164 CSCCCCOCCCCCCB(O)O 7a_100011217163_100009817187 [0,1,0,0,0,0|2,0,1]=4 4562 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [0,1,0,0,0,0|3,0,0]=4 4563 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [0,1,0,0,0,0|3,0,0]=4 4564 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 2230a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 4565 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 34a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 4566 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,1,0,0,0,0|2,0,1]=4 4567 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,1,0,0,0,0|2,0,1]=4 4568 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,1,0,0,0,0|2,0,1]=4 4569 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,1,0,0,0,0|2,0,1]=4 4570 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 4571 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009813290_100009817552 [0,1,0,0,0,0|2,0,1]=4 4572 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009817552_200000033068 [0,1,0,0,0,0|2,0,1]=4 4573 B15R0.164 N#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100009813337 [0,1,0,0,0,0|2,0,1]=4 4574 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,1,0,0,0,0|2,0,1]=4 4575 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,1,0,0,0,0|2,0,1]=4 4576 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,1,0,0,0,0|1,0,2]=4 4577 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,1,0,0,0,0|2,0,1]=4 4578 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,1,0,0,0,0|2,0,1]=4 4579 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,1,0,0,0,0|2,0,0]=3 4580 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,1,0,0,0,0|2,0,0]=3 4581 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 4582 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 4583 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,1,0,0,0,0|2,0,1]=4 4584 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,1,0,0,0,0|2,0,0]=3 4585 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,1,0,0,0,0|2,0,0]=3 4586 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,1,0,0,0,0|2,0,0]=3 4587 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,1,0,0,0,0|2,0,0]=3 4588 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,1,0,0,0,0|2,0,0]=3 4589 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,1,0,0,0,0|2,0,0]=3 4590 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,1,0,0,0,0|2,0,0]=3 4591 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,1,0,0,0,0|2,0,0]=3 4592 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,1,0,0,0,0|2,0,0]=3 4593 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,1,0,0,0,0|2,0,0]=3 4594 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,1,0,0,0,0|2,0,1]=4 4595 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,1,0,0,0,0|2,0,1]=4 4596 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,1,0,0,0,0|2,0,0]=3 4597 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,1,0,0,0,0|2,0,0]=3 4598 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,1,0,0,0,0|2,0,0]=3 4599 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,1,0,0,0,0|2,0,0]=3 4600 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,1,0,0,0,0|2,0,0]=3 4601 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,1,0,0,0,0|2,0,0]=3 4602 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,1,0,0,0,0|2,0,0]=3 4603 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,1,0,0,0,0|2,0,0]=3 4604 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,1,0,0,0,0|2,0,0]=3 4605 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,1,0,0,0,0|2,0,0]=3 4606 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,1,0,0,0,0|2,0,0]=3 4607 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,1,0,0,0,0|2,0,0]=3 4608 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,1,0,0,0,0|2,0,0]=3 4609 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,1,0,0,0,0|2,0,0]=3 4610 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,1,0,0,0,0|2,0,0]=3 4611 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,1,0,0,0,0|2,0,0]=3 4612 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,1,0,0,0,0|2,0,0]=3 4613 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,1,0,0,0,0|2,0,0]=3 4614 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,1,0,0,0,0|2,0,0]=3 4615 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,1,0,0,0,0|2,0,0]=3 4616 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,1,0,0,0,0|2,0,0]=3 4617 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,1,0,0,0,0|2,0,0]=3 4618 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,1,0,0,0,0|2,0,0]=3 4619 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,1,0,0,0,0|2,0,0]=3 4620 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,1,0,0,0,0|2,0,0]=3 4621 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,1,0,0,0,0|2,0,0]=3 4622 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,1,0,0,0,0|2,0,0]=3 4623 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,1,0,0,0,0|2,0,0]=3 4624 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,1,0,0,0,0|2,0,0]=3 4625 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,1,0,0,0,0|2,0,0]=3 4626 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,1,0,0,0,0|2,0,0]=3 4627 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,1,0,0,0,0|2,0,0]=3 4628 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 4629 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 4630 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,1,0,0,0,0|3,0,0]=4 4631 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,1,0,0,0,0|3,0,0]=4 4632 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,1,0,0,0,0|3,0,0]=4 4633 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,1,0,0,0,0|3,0,0]=4 4634 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,1,0,0,0,0|2,0,0]=3 4635 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,1,0,0,0,0|2,0,0]=3 4636 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,1,0,0,0,0|3,0,0]=4 4637 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,1,0,0,0,0|3,0,0]=4 4638 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,1,0,0,0,0|3,0,0]=4 4639 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,1,0,0,0,0|3,0,0]=4 4640 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,1,0,0,0,0|3,0,0]=4 4641 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,1,0,0,0,0|3,0,0]=4 4642 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,1,0,0,0,0|3,0,0]=4 4643 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,1,0,0,0,0|3,0,0]=4 4644 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,1,0,0,0,0|3,0,0]=4 4645 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,1,0,0,0,0|3,0,0]=4 4646 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,1,0,0,0,0|3,0,0]=4 4647 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,1,0,0,0,0|3,0,0]=4 4648 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,1,0,0,0,0|3,0,0]=4 4649 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,1,0,0,0,0|3,0,0]=4 4650 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,1,0,0,0,0|3,0,0]=4 4651 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,1,0,0,0,0|2,0,0]=3 4652 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,1,0,0,0,0|1,0,1]=3 4653 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,1,0,0,0,0|2,0,1]=4 4654 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,1,0,0,0,0|2,0,0]=3 4655 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,1,0,0,0,0|2,0,0]=3 4656 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,1,0,0,0,0|3,0,0]=4 4657 B15R0.164 NCCCCCCCOCCCCB(O)O 34a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 4658 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 4659 B15R0.164 NCCCCCCOCCCCCB(O)O 34a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 4660 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 4661 B15R0.164 NCCCCCOCCCCCCB(O)O 34a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 4662 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,1,0,0,0,0|3,0,0]=4 4663 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,1,0,0,0,0|1,0,0]=2 4664 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,1,0,0,0,0|2,0,0]=3 4665 B15R0.164 O=C(O)COCCOCCNCCCCF 269956a_100009854275_100000729493 [0,1,0,0,0,0|3,0,0]=4 4666 B15R0.164 O=C(O)COCCOCCNCCCCO 269956a_100009854275_100000210776 [0,1,0,0,0,0|3,0,0]=4 4667 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,1,0,0,0,0|2,0,0]=3 4668 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,1,0,0,0,0|1,0,1]=3 4669 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,1,0,0,0,0|1,0,1]=3 4670 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,1,0,0,0,0|1,0,1]=3 4671 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,1,0,0,0,0|1,0,1]=3 4672 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,1,0,0,0,0|1,0,1]=3 4673 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,1,0,0,0,0|1,0,1]=3 4674 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,1,0,0,0,0|1,0,1]=3 4675 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,1,0,0,0,0|1,0,2]=4 4676 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,1,0,0,0,0|2,0,1]=4 4677 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,1,0,0,0,0|2,0,1]=4 4678 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,1,0,0,0,0|2,0,1]=4 4679 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,1,0,0,0,0|2,0,1]=4 4680 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,1,0,0,0,0|2,0,1]=4 4681 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,1,0,0,0,0|2,0,1]=4 4682 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,1,0,0,0,0|2,0,1]=4 4683 B15R0.164 OB(O)CCCCCCOCCCCCBr 34a_100000746331_100009817187 [0,1,0,0,0,0|2,0,1]=4 4684 B15R0.164 OB(O)CCCCCCOCCCCCBr 7a_100000746331_100009817187 [0,1,0,0,0,0|2,0,1]=4 4685 B15R0.164 OB(O)CCCCCCOCCCCCCl 34a_100000746330_100009817187 [0,1,0,0,0,0|2,0,1]=4 4686 B15R0.164 OB(O)CCCCCCOCCCCCCl 7a_100000746330_100009817187 [0,1,0,0,0,0|2,0,1]=4 4687 B15R0.164 OB(O)CCCCCCOCCCCCI 34a_200012148887_100009817187 [0,1,0,0,0,0|2,0,1]=4 4688 B15R0.164 OB(O)CCCCCCOCCCCCI 7a_200012148887_100009817187 [0,1,0,0,0,0|2,0,1]=4 4689 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100000729378_100009817187 [0,1,0,0,0,0|2,0,1]=4 4690 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100009817187_100000729378 [0,1,0,0,0,0|2,0,1]=4 4691 B15R0.164 OB(O)CCCCCOCCCCCCBr 34a_100011215345_200009817188 [0,1,0,0,0,0|2,0,1]=4 4692 B15R0.164 OB(O)CCCCCOCCCCCCBr 7a_100011215345_200009817188 [0,1,0,0,0,0|2,0,1]=4 4693 B15R0.164 OB(O)CCCCCOCCCCCCCl 34a_100000766143_200009817188 [0,1,0,0,0,0|2,0,1]=4 4694 B15R0.164 OB(O)CCCCCOCCCCCCCl 7a_100000766143_200009817188 [0,1,0,0,0,0|2,0,1]=4 4695 B15R0.164 OB(O)CCCCCOCCCCCCF 34a_100000732779_200009817188 [0,1,0,0,0,0|2,0,1]=4 4696 B15R0.164 OB(O)CCCCCOCCCCCCF 7a_100000732779_200009817188 [0,1,0,0,0,0|2,0,1]=4 4697 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_100015922095_200009817188 [0,1,0,0,0,0|2,0,1]=4 4698 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_200009817188_100015922095 [0,1,0,0,0,0|2,0,1]=4 4699 B15R0.164 OB(O)CCCCOCCCCCCCBr 34a_100000760002_200009817182 [0,1,0,0,0,0|2,0,1]=4 4700 B15R0.164 OB(O)CCCCOCCCCCCCBr 7a_100000760002_200009817182 [0,1,0,0,0,0|2,0,1]=4 4701 B15R0.164 OCCCCCCCNCCCCB(O)O 2230a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 4702 B15R0.164 OCCCCCCCNCCCCB(O)O 34a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 4703 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_100000760002_200009817182 [0,1,0,0,0,0|2,0,1]=4 4704 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_200009817182_100000760002 [0,1,0,0,0,0|2,0,1]=4 4705 B15R0.164 OCCCCCCNCCCCCB(O)O 2230a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 4706 B15R0.164 OCCCCCCNCCCCCB(O)O 34a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 4707 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_100000766143_200009817188 [0,1,0,0,0,0|2,0,1]=4 4708 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_200009817188_100000766143 [0,1,0,0,0,0|2,0,1]=4 4709 B15R0.164 OCCCCCNCCCCCCB(O)O 2230a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 4710 B15R0.164 OCCCCCNCCCCCCB(O)O 34a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 4711 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100000746330_100009817187 [0,1,0,0,0,0|2,0,1]=4 4712 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100009817187_100000746330 [0,1,0,0,0,0|2,0,1]=4 4713 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 34a_200011024964_100000730704 [0,1,0,0,0,0|3,0,0]=4 4714 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 7a_200011024964_100000730704 [0,1,0,0,0,0|3,0,0]=4 4715 B15R0.193 CCCCCCC(=O)CCCCCB(O)O 1458a_100102632555_200009817188 [0,1,0,0,0,0|1,0,2]=4 4716 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,1,0,0,0,0|1,0,1]=3 4717 B15R0.193 CCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210757 [0,1,0,0,0,0|1,0,2]=4 4718 B15R0.193 CCCCCCC(=O)CCCCOC(=O)C 1458a_100102632555_100000033659 [0,1,0,0,0,0|2,0,1]=4 4719 B15R0.193 CCCCCCC(=O)CCCCSC(=O)C 1458a_100102632555_200010402107 [0,1,0,0,0,0|2,0,1]=4 4720 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100102632555 [0,1,0,0,0,0|2,0,1]=4 4721 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100102632555 [0,1,0,0,0,0|2,0,1]=4 4722 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100102632555 [0,1,0,0,0,0|2,0,1]=4 4723 B15R0.193 CCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100102632555 [0,1,0,0,0,0|2,0,1]=4 4724 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,1,0,0,0,0|2,0,0]=3 4725 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,1,0,0,0,0|2,0,0]=3 4726 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,1,0,0,0,0|2,0,0]=3 4727 B15R0.193 CCCCCCC(C)CCOCCC(C)O 34a_200011024964_100012276601 [0,1,0,0,0,0|2,0,1]=4 4728 B15R0.193 CCCCCCC(C)CCOCCC(C)O 7a_200011024964_100012276601 [0,1,0,0,0,0|2,0,1]=4 4729 B15R0.193 CCCCCCC(C)CCOCOC(=O)C 34a_200011024964_100009813279 [0,1,0,0,0,0|3,0,0]=4 4730 B15R0.193 CCCCCCC(C)NCCCCB(O)O 2230a_100000210919_200009817182 [0,1,0,0,0,0|2,0,1]=4 4731 B15R0.193 CCCCCCC(C)NCCCCB(O)O 34a_100000210919_200009817182 [0,1,0,0,0,0|2,0,1]=4 4732 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,1,0,0,0,0|2,0,0]=3 4733 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,1,0,0,0,0|2,0,0]=3 4734 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,1,0,0,0,0|2,0,0]=3 4735 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210826 [0,1,0,0,0,0|3,0,0]=4 4736 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 34a_100000736810_100011215978 [0,1,0,0,0,0|3,0,0]=4 4737 B15R0.193 CCCCCCC(C)NCCCOC(=O)C 34a_100000210919_100000042594 [0,1,0,0,0,0|3,0,0]=4 4738 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 2230a_100000210919_100000038929 [0,1,0,0,0,0|3,0,0]=4 4739 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 34a_100000210919_100000038929 [0,1,0,0,0,0|3,0,0]=4 4740 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 2230a_100000210919_100000076697 [0,1,0,0,0,0|3,0,0]=4 4741 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 34a_100000210919_100000076697 [0,1,0,0,0,0|3,0,0]=4 4742 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,1,0,0,0,0|2,0,0]=3 4743 B15R0.193 CCCCCCC(C)OCCCCB(O)O 34a_100000210265_200009817182 [0,1,0,0,0,0|2,0,1]=4 4744 B15R0.193 CCCCCCC(C)OCCCCB(O)O 7a_100000210265_200009817182 [0,1,0,0,0,0|2,0,1]=4 4745 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,1,0,0,0,0|2,0,0]=3 4746 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,1,0,0,0,0|2,0,0]=3 4747 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,1,0,0,0,0|2,0,0]=3 4748 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,1,0,0,0,0|2,0,0]=3 4749 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215978 [0,1,0,0,0,0|2,0,1]=4 4750 B15R0.193 CCCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100011215978 [0,1,0,0,0,0|2,0,1]=4 4751 B15R0.193 CCCCCCC(C)OCCCNC(=O)C 34a_100000752032_100011215978 [0,1,0,0,0,0|3,0,0]=4 4752 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 34a_100000210265_100000042594 [0,1,0,0,0,0|3,0,0]=4 4753 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 7a_100000210265_100000042594 [0,1,0,0,0,0|3,0,0]=4 4754 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 34a_100000210265_100000038929 [0,1,0,0,0,0|3,0,0]=4 4755 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 7a_100000210265_100000038929 [0,1,0,0,0,0|3,0,0]=4 4756 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 34a_100000210265_100000076697 [0,1,0,0,0,0|3,0,0]=4 4757 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 7a_100000210265_100000076697 [0,1,0,0,0,0|3,0,0]=4 4758 B15R0.193 CCCCCCC(C)SCCCCB(O)O 62a_100011215978_200009817182 [0,1,0,0,0,0|2,0,1]=4 4759 B15R0.193 CCCCCCC(C)SCCCCB(O)O 62a_200009817182_100011215978 [0,1,0,0,0,0|2,0,1]=4 4760 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,1,0,0,0,0|2,0,0]=3 4761 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,1,0,0,0,0|2,0,0]=3 4762 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100000042594_100011215978 [0,1,0,0,0,0|3,0,0]=4 4763 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100011215978_100000042594 [0,1,0,0,0,0|3,0,0]=4 4764 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100000038929_100011215978 [0,1,0,0,0,0|3,0,0]=4 4765 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100011215978_100000038929 [0,1,0,0,0,0|3,0,0]=4 4766 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100000076697_100011215978 [0,1,0,0,0,0|3,0,0]=4 4767 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100011215978_100000076697 [0,1,0,0,0,0|3,0,0]=4 4768 B15R0.193 CCCCCCN(C)CCCCCB(O)O 2230a_106256046315_200009817188 [0,1,0,0,0,0|2,0,1]=4 4769 B15R0.193 CCCCCCN(C)CCCCCB(O)O 269982a_106256046315_200009817188 [0,1,0,0,0,0|2,0,1]=4 4770 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,1,0,0,0,0|2,0,0]=3 4771 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,1,0,0,0,0|2,0,0]=3 4772 B15R0.193 CCCCCCN(C)CCCCOC(=O)C 269982a_106256046315_100000033659 [0,1,0,0,0,0|3,0,0]=4 4773 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 2230a_106256046315_200010402107 [0,1,0,0,0,0|3,0,0]=4 4774 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 269982a_106256046315_200010402107 [0,1,0,0,0,0|3,0,0]=4 4775 B15R0.193 CCCCOCC(=O)CCCCCC(=O)N 1458a_100000757543_100009817443 [0,1,0,0,0,0|2,0,1]=4 4776 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 34a_100011217071_100009817362 [0,1,0,0,0,0|3,0,0]=4 4777 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 7a_100011217071_100000735457 [0,1,0,0,0,0|3,0,0]=4 4778 B15R0.193 CCCCSCC(=O)CCCCCC(=O)N 1458a_100000191162_100009817443 [0,1,0,0,0,0|2,0,1]=4 4779 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 2230a_100000722520_100009817443 [0,1,0,0,0,0|3,0,0]=4 4780 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 269982a_100000722520_100009817443 [0,1,0,0,0,0|3,0,0]=4 4781 B15R0.193 NC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009817443 [0,1,0,0,0,0|2,0,1]=4 4782 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 34a_200011021034_100000730704 [0,1,0,0,0,0|3,0,0]=4 4783 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 7a_200011021034_100000730704 [0,1,0,0,0,0|3,0,0]=4 4784 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,1,0,0,0,0|2,0,0]=3 4785 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,1,0,0,0,0|2,0,0]=3 4786 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,1,0,0,0,0|2,0,0]=3 4787 B15R0.210 CCCCC(C)CCCCOCCC(C)O 34a_200011021034_100012276601 [0,1,0,0,0,0|2,0,1]=4 4788 B15R0.210 CCCCC(C)CCCCOCCC(C)O 7a_200011021034_100012276601 [0,1,0,0,0,0|2,0,1]=4 4789 B15R0.210 CCCCC(C)CCCCOCOC(=O)C 34a_200011021034_100009813279 [0,1,0,0,0,0|3,0,0]=4 4790 B15R0.210 CCCCC(C)COCCCCCB(O)O 34a_100011995851_200009817188 [0,1,0,0,0,0|2,0,1]=4 4791 B15R0.210 CCCCC(C)COCCCCCB(O)O 7a_100011995851_200009817188 [0,1,0,0,0,0|2,0,1]=4 4792 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,1,0,0,0,0|2,0,0]=3 4793 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,1,0,0,0,0|2,0,0]=3 4794 B15R0.210 CCCCC(C)COCCCCOC(=O)C 34a_100011995851_100000033659 [0,1,0,0,0,0|3,0,0]=4 4795 B15R0.210 CCCCC(C)COCCCCOC(=O)C 7a_100011995851_100000033659 [0,1,0,0,0,0|3,0,0]=4 4796 B15R0.210 CCCCC(C)COCCCCSC(=O)C 34a_100011995851_200010402107 [0,1,0,0,0,0|3,0,0]=4 4797 B15R0.210 CCCCC(C)COCCCCSC(=O)C 7a_100011995851_200010402107 [0,1,0,0,0,0|3,0,0]=4 4798 B15R0.210 CCCCC(C)NCCCCCCB(O)O 2230a_100000126638_100009817187 [0,1,0,0,0,0|2,0,1]=4 4799 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011215066 [0,1,0,0,0,0|3,0,0]=4 4800 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210087 [0,1,0,0,0,0|3,0,0]=4 4801 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011215066 [0,1,0,0,0,0|3,0,0]=4 4802 B15R0.210 CCCCC(C)NCCCCCOC(=O)C 2230a_100000126638_100009813381 [0,1,0,0,0,0|3,0,0]=4 4803 B15R0.210 CCCCC(C)OCCCCCCB(O)O 34a_100000687866_100009817187 [0,1,0,0,0,0|2,0,1]=4 4804 B15R0.210 CCCCC(C)OCCCCCCB(O)O 7a_100000687866_100009817187 [0,1,0,0,0,0|2,0,1]=4 4805 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 34a_100000687866_100000033007 [0,1,0,0,0,0|3,0,0]=4 4806 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 7a_100000687866_100000033007 [0,1,0,0,0,0|3,0,0]=4 4807 B15R0.210 CCCCC(C)SCCCCCCB(O)O 62a_100009817187_200011215066 [0,1,0,0,0,0|2,0,1]=4 4808 B15R0.210 CCCCC(C)SCCCCCCB(O)O 62a_200011215066_100009817187 [0,1,0,0,0,0|2,0,1]=4 4809 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011215066 [0,1,0,0,0,0|3,0,0]=4 4810 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_200011215066_100000033007 [0,1,0,0,0,0|3,0,0]=4 4811 B15R0.210 CCCC[C@H](N)COCCCCCB(O)O 34a_100011934283_200009817188 [0,1,0,0,0,0|2,0,1]=4 4812 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,1,0,0,0,0|2,0,0]=3 4813 B15R0.210 CCCC[C@H](N)COCCCCOC(=O)C 34a_100011934283_100000033659 [0,1,0,0,0,0|3,0,0]=4 4814 B15R0.210 CCCC[C@H](N)COCCCCSC(=O)C 34a_100011934283_200010402107 [0,1,0,0,0,0|3,0,0]=4 4815 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 2230a_100015185124_100009817443 [0,1,0,0,0,0|3,0,0]=4 4816 B15R0.210 CCCOC(C)CNCCCCCC(=O)N 34a_100015185124_100009817443 [0,1,0,0,0,0|3,0,0]=4 4817 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 2230a_102515437182_100009817443 [0,1,0,0,0,0|3,0,0]=4 4818 B15R0.210 CCOCC(O)CNCCCCCC(=O)N 34a_102515437182_100009817443 [0,1,0,0,0,0|3,0,0]=4 4819 B15R0.210 CSCC[C@H](N)COCCCCCC(=O)N 34a_100011827619_100009817443 [0,1,0,0,0,0|3,0,0]=4 4820 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 2230a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 4821 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 34a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 4822 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 34a_200000210741_100000730704 [0,1,0,0,0,0|3,0,0]=4 4823 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 7a_200000210741_100000730704 [0,1,0,0,0,0|3,0,0]=4 4824 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,1,0,0,0,0|1,0,1]=3 4825 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,1,0,0,0,0|2,0,0]=3 4826 B15R0.222 CC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100009817362 [0,1,0,0,0,0|3,0,0]=4 4827 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 34a_100000123541_100009817362 [0,1,0,0,0,0|2,0,1]=4 4828 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 7a_100000123541_100000735457 [0,1,0,0,0,0|2,0,1]=4 4829 B15R0.222 CC(=O)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000735457 [0,1,0,0,0,0|1,0,2]=4 4830 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,1,0,0,0,0|2,0,0]=3 4831 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,1,0,0,0,0|2,0,0]=3 4832 B15R0.222 CC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100009817362 [0,1,0,0,0,0|3,0,0]=4 4833 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100000735457_100009817443 [0,1,0,0,0,0|2,0,1]=4 4834 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100009817443_100000735457 [0,1,0,0,0,0|2,0,1]=4 4835 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,1,0,0,0,0|2,0,0]=3 4836 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,1,0,0,0,0|2,0,0]=3 4837 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,1,0,0,0,0|2,0,0]=3 4838 B15R0.222 CC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100000685027 [0,1,0,0,0,0|3,0,0]=4 4839 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,1,0,0,0,0|2,0,0]=3 4840 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 2230a_200011996284_100000210312 [0,1,0,0,0,0|3,0,0]=4 4841 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 269862a_200011996284_100000185833 [0,1,0,0,0,0|3,0,0]=4 4842 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 34a_200011996284_100000210312 [0,1,0,0,0,0|3,0,0]=4 4843 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 2230a_200011996284_100012276601 [0,1,0,0,0,0|3,0,0]=4 4844 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 34a_200011996284_100012276601 [0,1,0,0,0,0|3,0,0]=4 4845 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 2230a_200012022750_100011214892 [0,1,0,0,0,0|3,0,0]=4 4846 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 34a_200012022750_100011214892 [0,1,0,0,0,0|3,0,0]=4 4847 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 2230a_200012022750_200000718107 [0,1,0,0,0,0|3,0,0]=4 4848 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 34a_200012022750_200000718107 [0,1,0,0,0,0|3,0,0]=4 4849 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 2230a_200011368371_100011216152 [0,1,0,0,0,0|3,0,0]=4 4850 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 34a_200011368371_100011216152 [0,1,0,0,0,0|3,0,0]=4 4851 B15R0.222 CC(=O)NCCCNCCCCCC(C)C 34a_100000736810_100000210682 [0,1,0,0,0,0|3,0,0]=4 4852 B15R0.222 CC(=O)NCCCOCCCCCC(C)C 34a_100000752032_100000210682 [0,1,0,0,0,0|3,0,0]=4 4853 B15R0.222 CC(=O)NCCNCCCCCCC(C)C 2230a_100000211014_100000189650 [0,1,0,0,0,0|3,0,0]=4 4854 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 2230a_200000737386_100009813381 [0,1,0,0,0,0|3,0,0]=4 4855 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 34a_200000737386_100000033007 [0,1,0,0,0,0|3,0,0]=4 4856 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 34a_100000210774_100000033007 [0,1,0,0,0,0|3,0,0]=4 4857 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 7a_100000210774_100000033007 [0,1,0,0,0,0|3,0,0]=4 4858 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100000033007_100011214892 [0,1,0,0,0,0|3,0,0]=4 4859 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100011214892_100000033007 [0,1,0,0,0,0|3,0,0]=4 4860 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_100000033007_200000718107 [0,1,0,0,0,0|3,0,0]=4 4861 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_200000718107_100000033007 [0,1,0,0,0,0|3,0,0]=4 4862 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100000073216_100011216152 [0,1,0,0,0,0|3,0,0]=4 4863 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100011214890_100000033659 [0,1,0,0,0,0|3,0,0]=4 4864 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100000073216_100011216152 [0,1,0,0,0,0|3,0,0]=4 4865 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100011214890_100000033659 [0,1,0,0,0,0|3,0,0]=4 4866 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100000033659_100011216152 [0,1,0,0,0,0|3,0,0]=4 4867 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100011216152_100000033659 [0,1,0,0,0,0|3,0,0]=4 4868 B15R0.222 CC(=O)OCCCNCCCCCC(C)C 34a_100011290863_100000042594 [0,1,0,0,0,0|3,0,0]=4 4869 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 34a_100011995859_100000042594 [0,1,0,0,0,0|3,0,0]=4 4870 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 7a_100011995859_100000042594 [0,1,0,0,0,0|3,0,0]=4 4871 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000042594_100000210682 [0,1,0,0,0,0|3,0,0]=4 4872 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000210682_100000042594 [0,1,0,0,0,0|3,0,0]=4 4873 B15R0.222 CC(=O)OCCNCCCCCCC(C)C 34a_100000211014_100009814007 [0,1,0,0,0,0|3,0,0]=4 4874 B15R0.222 CC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100009813279 [0,1,0,0,0,0|3,0,0]=4 4875 B15R0.222 CC(=O)SCCCCCCNCCC(C)C 269862a_100000704104_100000185833 [0,1,0,0,0,0|3,0,0]=4 4876 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 34a_100011214890_200010402107 [0,1,0,0,0,0|3,0,0]=4 4877 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 7a_100011214890_200010402107 [0,1,0,0,0,0|3,0,0]=4 4878 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_100011216152_200010402107 [0,1,0,0,0,0|3,0,0]=4 4879 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_200010402107_100011216152 [0,1,0,0,0,0|3,0,0]=4 4880 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 2230a_100011290863_100000038929 [0,1,0,0,0,0|3,0,0]=4 4881 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 34a_100011290863_100000038929 [0,1,0,0,0,0|3,0,0]=4 4882 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 34a_100011995859_100000038929 [0,1,0,0,0,0|3,0,0]=4 4883 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 7a_100011995859_100000038929 [0,1,0,0,0,0|3,0,0]=4 4884 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000038929_100000210682 [0,1,0,0,0,0|3,0,0]=4 4885 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000210682_100000038929 [0,1,0,0,0,0|3,0,0]=4 4886 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,1,0,0,0,0|2,0,0]=3 4887 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,1,0,0,0,0|2,0,0]=3 4888 B15R0.222 CC(C)CCCCCCCOCCC(C)O 34a_200000210741_100012276601 [0,1,0,0,0,0|2,0,1]=4 4889 B15R0.222 CC(C)CCCCCCCOCCC(C)O 7a_200000210741_100012276601 [0,1,0,0,0,0|2,0,1]=4 4890 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,1,0,0,0,0|2,0,0]=3 4891 B15R0.222 CC(C)CCCCCCNCCCC(C)O 2230a_100000211014_200000718107 [0,1,0,0,0,0|2,0,1]=4 4892 B15R0.222 CC(C)CCCCCCNCCCC(C)O 34a_100000211014_200000718107 [0,1,0,0,0,0|2,0,1]=4 4893 B15R0.222 CC(C)CCCCCCNCCNC(=O)N 2230a_100000211014_200000034859 [0,1,0,0,0,0|3,0,0]=4 4894 B15R0.222 CC(C)CCCCCCNCCOC(=O)N 34a_100000211014_200011214921 [0,1,0,0,0,0|3,0,0]=4 4895 B15R0.222 CC(C)CCCCCNCCCCB(O)O 2230a_100011290863_200009817182 [0,1,0,0,0,0|2,0,1]=4 4896 B15R0.222 CC(C)CCCCCNCCCCB(O)O 34a_100011290863_200009817182 [0,1,0,0,0,0|2,0,1]=4 4897 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,1,0,0,0,0|2,0,0]=3 4898 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 2230a_100011290863_100000076697 [0,1,0,0,0,0|3,0,0]=4 4899 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 34a_100011290863_100000076697 [0,1,0,0,0,0|3,0,0]=4 4900 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,1,0,0,0,0|2,0,0]=3 4901 B15R0.222 CC(C)CCCCCOCCCCB(O)O 34a_100011995859_200009817182 [0,1,0,0,0,0|2,0,1]=4 4902 B15R0.222 CC(C)CCCCCOCCCCB(O)O 7a_100011995859_200009817182 [0,1,0,0,0,0|2,0,1]=4 4903 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,1,0,0,0,0|2,0,0]=3 4904 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,1,0,0,0,0|2,0,0]=3 4905 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210682 [0,1,0,0,0,0|2,0,1]=4 4906 B15R0.222 CC(C)CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210682 [0,1,0,0,0,0|2,0,1]=4 4907 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 34a_100011995859_100000076697 [0,1,0,0,0,0|3,0,0]=4 4908 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 7a_100011995859_100000076697 [0,1,0,0,0,0|3,0,0]=4 4909 B15R0.222 CC(C)CCCCCSCCCCB(O)O 62a_100000210682_200009817182 [0,1,0,0,0,0|2,0,1]=4 4910 B15R0.222 CC(C)CCCCCSCCCCB(O)O 62a_200009817182_100000210682 [0,1,0,0,0,0|2,0,1]=4 4911 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000076697_100000210682 [0,1,0,0,0,0|3,0,0]=4 4912 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000210682_100000076697 [0,1,0,0,0,0|3,0,0]=4 4913 B15R0.222 CC(C)CCCCOCCCCCB(O)O 34a_100011214890_200009817188 [0,1,0,0,0,0|2,0,1]=4 4914 B15R0.222 CC(C)CCCCOCCCCCB(O)O 7a_100011214890_200009817188 [0,1,0,0,0,0|2,0,1]=4 4915 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,1,0,0,0,0|2,0,0]=3 4916 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,1,0,0,0,0|2,0,0]=3 4917 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,1,0,0,0,0|2,0,0]=3 4918 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,1,0,0,0,0|2,0,0]=3 4919 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,1,0,0,0,0|1,0,1]=3 4920 B15R0.222 CC(C)CCCCSCCCCCB(O)O 62a_100011216152_200009817188 [0,1,0,0,0,0|2,0,1]=4 4921 B15R0.222 CC(C)CCCCSCCCCCB(O)O 62a_200009817188_100011216152 [0,1,0,0,0,0|2,0,1]=4 4922 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,1,0,0,0,0|2,0,0]=3 4923 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,1,0,0,0,0|2,0,0]=3 4924 B15R0.222 CC(C)CCCNCCCCCCB(O)O 2230a_200000737386_100009817187 [0,1,0,0,0,0|2,0,1]=4 4925 B15R0.222 CC(C)CCCNCCCCCCB(O)O 34a_200000737386_100009817187 [0,1,0,0,0,0|2,0,1]=4 4926 B15R0.222 CC(C)CCCOCCCCCCB(O)O 34a_100000210774_100009817187 [0,1,0,0,0,0|2,0,1]=4 4927 B15R0.222 CC(C)CCCOCCCCCCB(O)O 7a_100000210774_100009817187 [0,1,0,0,0,0|2,0,1]=4 4928 B15R0.222 CC(C)CCCSCCCCCCB(O)O 62a_100009817187_100011214892 [0,1,0,0,0,0|2,0,1]=4 4929 B15R0.222 CC(C)CCCSCCCCCCB(O)O 62a_100011214892_100009817187 [0,1,0,0,0,0|2,0,1]=4 4930 B15R0.222 CC(C)CCNCCOCCOCC(=O)O 269956a_100009854275_100000210312 [0,1,0,0,0,0|3,0,0]=4 4931 B15R0.222 CC(C)CNCCOCCCCCC(=O)N 34a_100015185251_100009817443 [0,1,0,0,0,0|3,0,0]=4 4932 B15R0.222 CC(C)COCCOCCCCCC(=O)N 34a_100000703358_100009817443 [0,1,0,0,0,0|3,0,0]=4 4933 B15R0.222 CC(C)COCCOCCCCCC(=O)N 7a_100000703358_100009817443 [0,1,0,0,0,0|3,0,0]=4 4934 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 34a_200000230437_100009817443 [0,1,0,0,0,0|3,0,0]=4 4935 B15R0.222 CC(C)CSCCOCCCCCC(=O)N 7a_200000230437_100009817443 [0,1,0,0,0,0|3,0,0]=4 4936 B15R0.222 CC(C)NCCCCCOCCCC(=O)N 34a_100011629493_100102525003 [0,1,0,0,0,0|3,0,0]=4 4937 B15R0.222 CC(C)NCCCOCCCCCC(=O)N 34a_100000182298_100009817443 [0,1,0,0,0,0|3,0,0]=4 4938 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 2230a_100000737246_100009817443 [0,1,0,0,0,0|3,0,0]=4 4939 B15R0.222 CC(C)OCCCNCCCCCC(=O)N 34a_100000737246_100009817443 [0,1,0,0,0,0|3,0,0]=4 4940 B15R0.222 CC(O)CCCSCCCCCCB(O)O 62a_100009817187_200000718107 [0,1,0,0,0,0|2,0,1]=4 4941 B15R0.222 CC(O)CCCSCCCCCCB(O)O 62a_200000718107_100009817187 [0,1,0,0,0,0|2,0,1]=4 4942 B15R0.222 CC(O)CCNCCOCCOCC(=O)O 269956a_100009854275_100012276601 [0,1,0,0,0,0|3,0,0]=4 4943 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,1,0,0,0,0|2,0,0]=3 4944 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,1,0,0,0,0|2,0,0]=3 4945 B15R0.222 CN(C)CCCCSCCCCCC(=O)N 62a_100009817443_100000690147 [0,1,0,0,0,0|3,0,0]=4 4946 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,1,0,0,0,0|3,0,0]=4 4947 B15R0.234 CCCCCC(=O)CCCCCCB(O)O 1458a_100000212188_100009817187 [0,1,0,0,0,0|1,0,2]=4 4948 B15R0.234 CCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210326 [0,1,0,0,0,0|2,0,1]=4 4949 B15R0.234 CCCCCC(=O)CCCCCOC(=O)C 1458a_100000212188_100000033007 [0,1,0,0,0,0|2,0,1]=4 4950 B15R0.234 CCCCCC(=O)CNCCCCC(=O)N 34a_100000696515_200012276598 [0,1,0,0,0,0|2,0,1]=4 4951 B15R0.234 CCCCCC(=O)CNCCOCC(=O)O 269956a_100000700818_200012276598 [0,1,0,0,0,0|2,0,1]=4 4952 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 34a_100012022536_200012276598 [0,1,0,0,0,0|2,0,1]=4 4953 B15R0.234 CCCCCC(=O)COCCCCC(=O)N 7a_100012022536_200012276598 [0,1,0,0,0,0|2,0,1]=4 4954 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_100000735457_200012276598 [0,1,0,0,0,0|2,0,1]=4 4955 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_200012276598_100000735457 [0,1,0,0,0,0|2,0,1]=4 4956 B15R0.234 CCCCCC(C)NCCCCCB(O)O 2230a_100000211957_200009817188 [0,1,0,0,0,0|2,0,1]=4 4957 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,1,0,0,0,0|2,0,0]=3 4958 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218191 [0,1,0,0,0,0|3,0,0]=4 4959 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211708 [0,1,0,0,0,0|3,0,0]=4 4960 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218191 [0,1,0,0,0,0|3,0,0]=4 4961 B15R0.234 CCCCCC(C)NCCCCSC(=O)C 2230a_100000211957_200010402107 [0,1,0,0,0,0|3,0,0]=4 4962 B15R0.234 CCCCCC(C)OCCCCCB(O)O 34a_100011215632_200009817188 [0,1,0,0,0,0|2,0,1]=4 4963 B15R0.234 CCCCCC(C)OCCCCCB(O)O 7a_100011215632_200009817188 [0,1,0,0,0,0|2,0,1]=4 4964 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,1,0,0,0,0|2,0,0]=3 4965 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,1,0,0,0,0|2,0,0]=3 4966 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,1,0,0,0,0|2,0,0]=3 4967 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,1,0,0,0,0|2,0,0]=3 4968 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,1,0,0,0,0|1,0,1]=3 4969 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218191 [0,1,0,0,0,0|3,0,0]=4 4970 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100011215632_100000033659 [0,1,0,0,0,0|3,0,0]=4 4971 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218191 [0,1,0,0,0,0|3,0,0]=4 4972 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100011215632_100000033659 [0,1,0,0,0,0|3,0,0]=4 4973 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 34a_100011215632_200010402107 [0,1,0,0,0,0|3,0,0]=4 4974 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 7a_100011215632_200010402107 [0,1,0,0,0,0|3,0,0]=4 4975 B15R0.234 CCCCCC(C)SCCCCCB(O)O 62a_200009817188_200011218191 [0,1,0,0,0,0|2,0,1]=4 4976 B15R0.234 CCCCCC(C)SCCCCCB(O)O 62a_200011218191_200009817188 [0,1,0,0,0,0|2,0,1]=4 4977 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,1,0,0,0,0|2,0,0]=3 4978 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,1,0,0,0,0|2,0,0]=3 4979 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218191 [0,1,0,0,0,0|3,0,0]=4 4980 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_200011218191_100000033659 [0,1,0,0,0,0|3,0,0]=4 4981 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218191 [0,1,0,0,0,0|3,0,0]=4 4982 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200011218191_200010402107 [0,1,0,0,0,0|3,0,0]=4 4983 B15R0.234 CCCCCN(C)CCCCCCB(O)O 2230a_100000223495_100009817187 [0,1,0,0,0,0|2,0,1]=4 4984 B15R0.234 CCCCCN(C)CCCCCCB(O)O 269982a_100000223495_100009817187 [0,1,0,0,0,0|2,0,1]=4 4985 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 2230a_100000223495_100009813381 [0,1,0,0,0,0|3,0,0]=4 4986 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 269982a_100000223495_100000033007 [0,1,0,0,0,0|3,0,0]=4 4987 B15R0.234 COCCCC(C)OCCCCCC(=O)N 34a_200011539412_100009817443 [0,1,0,0,0,0|3,0,0]=4 4988 B15R0.234 COCCCC(C)OCCCCCC(=O)N 7a_200011539412_100009817443 [0,1,0,0,0,0|3,0,0]=4 4989 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,1,0,0,0,0|2,0,0]=3 4990 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,1,0,0,0,0|2,0,0]=3 4991 B15R0.247 CCC(C)CCCCCOCCCC(C)O 7a_200000035636_200000718107 [0,1,0,0,0,0|2,0,1]=4 4992 B15R0.247 CCC(C)CCCCCOCCNC(=O)C 7a_200000035636_100000189650 [0,1,0,0,0,0|3,0,0]=4 4993 B15R0.247 CCC(C)CCCCCOCCNC(=O)N 7a_200000035636_200000034859 [0,1,0,0,0,0|3,0,0]=4 4994 B15R0.247 CCC(C)CCCCCOCCOC(=O)C 7a_200000035636_100009814007 [0,1,0,0,0,0|3,0,0]=4 4995 B15R0.247 CCC(C)CCCCCOCCOC(=O)N 7a_200000035636_200011214921 [0,1,0,0,0,0|3,0,0]=4 4996 B15R0.247 CCC(C)CCCOCCCCCB(O)O 7a_100011216074_200009817188 [0,1,0,0,0,0|2,0,1]=4 4997 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,1,0,0,0,0|2,0,0]=3 4998 B15R0.247 CCC(C)CCCOCCCCOC(=O)C 7a_100011216074_100000033659 [0,1,0,0,0,0|3,0,0]=4 4999 B15R0.247 CCC(C)CCCOCCCCSC(=O)C 7a_100011216074_200010402107 [0,1,0,0,0,0|3,0,0]=4 5000 B15R0.247 CCC(C)CCNCCCCCCB(O)O 2230a_100020591266_100009817187 [0,1,0,0,0,0|2,0,1]=4 5001 B15R0.247 CCC(C)CCNCCCCCOC(=O)C 2230a_100020591266_100009813381 [0,1,0,0,0,0|3,0,0]=4 5002 B15R0.247 CCC(C)CCOCCCCCCB(O)O 7a_100011215188_100009817187 [0,1,0,0,0,0|2,0,1]=4 5003 B15R0.247 CCC(C)CCOCCCCCOC(=O)C 7a_100011215188_100000033007 [0,1,0,0,0,0|3,0,0]=4 5004 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748023 [0,1,0,0,0,0|3,0,0]=4 5005 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243153 [0,1,0,0,0,0|3,0,0]=4 5006 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748023 [0,1,0,0,0,0|3,0,0]=4 5007 B15R0.247 CCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243153 [0,1,0,0,0,0|3,0,0]=4 5008 B15R0.247 CCC(C)CNCCOCCOCC(=O)O 269956a_100009854275_100000748023 [0,1,0,0,0,0|3,0,0]=4 5009 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 2230a_200011996284_100011218378 [0,1,0,0,0,0|3,0,0]=4 5010 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 34a_200011996284_100011218378 [0,1,0,0,0,0|3,0,0]=4 5011 B15R0.247 CCC(O)CNCCOCCOCC(=O)O 269956a_100009854275_100011218378 [0,1,0,0,0,0|3,0,0]=4 5012 B15R0.247 CCN(C)CCCOCCCCCC(=O)N 7a_100000123541_100015186262 [0,1,0,0,0,0|3,0,0]=4 5013 B15R0.247 CCN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100015186262 [0,1,0,0,0,0|2,0,1]=4 5014 B15R0.247 CCN(C)CCCSCCCCCC(=O)N 62a_100009817443_100015186262 [0,1,0,0,0,0|3,0,0]=4 5015 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 2230a_200011996284_100009816398 [0,1,0,0,0,0|3,0,0]=4 5016 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 34a_200011996284_100009816398 [0,1,0,0,0,0|3,0,0]=4 5017 B15R0.247 CC[C@H](C)CNCCOCCOCC(=O)O 269956a_100009854275_100009816398 [0,1,0,0,0,0|3,0,0]=4 5018 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,1,0,0,0,0|2,0,1]=4 5019 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,1,0,0,0,0|2,0,1]=4 5020 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,1,0,0,0,0|2,0,1]=4 5021 B15R0.247 COC(=O)CCCCCCCNCC(=O)O 269956a_100016091260_100010004213 [0,1,0,0,0,0|2,0,1]=4 5022 B15R0.247 C[C@@H](CN)CCCOCCCCCC(=O)N 34a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 5023 B15R0.252 CCCCCCCCCCCNS(=O)(=O)C 40a_200011215754_100000738038 [0,1,0,0,0,0|2,0,1]=4 5024 B15R0.252 CCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210320 [0,1,0,0,0,0|2,0,1]=4 5025 B15R0.252 CCCCCCCCCCNCC(C)(C)O 34a_100000684558_100000764493 [0,1,0,0,0,0|2,0,1]=4 5026 B15R0.252 CCCCCCCCCCNCS(=O)(=O)[O-] 34a_100000684558_100009817235 [0,1,0,0,0,0|2,0,1]=4 5027 B15R0.252 CCCCCCCCCCOCC(C)(C)O 34a_100000210711_100000764493 [0,1,0,0,0,0|2,0,1]=4 5028 B15R0.252 CCCCCCCCCCOCC(C)(C)O 7a_100000210711_100000764493 [0,1,0,0,0,0|2,0,1]=4 5029 B15R0.252 CCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210711_100009817235 [0,1,0,0,0,0|2,0,1]=4 5030 B15R0.252 CCCCCCCCCCSCC(C)(C)O 62a_100000764493_100000210320 [0,1,0,0,0,0|2,0,1]=4 5031 B15R0.252 CCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210320 [0,1,0,0,0,0|2,0,1]=4 5032 B15R0.252 CCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210320 [0,1,0,0,0,0|2,0,1]=4 5033 B15R0.252 CCCCCCCCCNCCC(C)(C)O 2230a_100000212291_100000702414 [0,1,0,0,0,0|2,0,1]=4 5034 B15R0.252 CCCCCCCCCNCCC(C)(C)O 34a_100000212291_100000702414 [0,1,0,0,0,0|2,0,1]=4 5035 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000212291_100000731031 [0,1,0,0,0,0|2,0,1]=4 5036 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011214924 [0,1,0,0,0,0|2,0,1]=4 5037 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000212291_100000731031 [0,1,0,0,0,0|2,0,1]=4 5038 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011214924 [0,1,0,0,0,0|2,0,1]=4 5039 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011214924 [0,1,0,0,0,0|2,0,1]=4 5040 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100011214924 [0,1,0,0,0,0|2,0,1]=4 5041 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000212291_100000737633 [0,1,0,0,0,0|2,0,1]=4 5042 B15R0.252 CCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000212291_100000762736 [0,1,0,0,0,0|2,0,1]=4 5043 B15R0.252 CCCCCCCCCOCCC(C)(C)O 34a_100000210712_100000702414 [0,1,0,0,0,0|2,0,1]=4 5044 B15R0.252 CCCCCCCCCOCCC(C)(C)O 7a_100000210712_100000702414 [0,1,0,0,0,0|2,0,1]=4 5045 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000210712_100000731031 [0,1,0,0,0,0|2,0,1]=4 5046 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011214924 [0,1,0,0,0,0|2,0,1]=4 5047 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000210712_100000230027 [0,1,0,0,0,0|2,0,1]=4 5048 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210328 [0,1,0,0,0,0|2,0,1]=4 5049 B15R0.252 CCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100011214924 [0,1,0,0,0,0|2,0,1]=4 5050 B15R0.252 CCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210712_100000762736 [0,1,0,0,0,0|2,0,1]=4 5051 B15R0.252 CCCCCCCCCSCCC(C)(C)O 62a_100000702414_100000210670 [0,1,0,0,0,0|2,0,1]=4 5052 B15R0.252 CCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210670 [0,1,0,0,0,0|2,0,1]=4 5053 B15R0.252 CCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210670 [0,1,0,0,0,0|2,0,1]=4 5054 B15R0.252 CCCCCCCCNCCCC(C)(C)O 2230a_100000229939_100009888830 [0,1,0,0,0,0|2,0,1]=4 5055 B15R0.252 CCCCCCCCNCCCC(C)(C)O 34a_100000229939_100009888830 [0,1,0,0,0,0|2,0,1]=4 5056 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000229939_100000754308 [0,1,0,0,0,0|2,0,1]=4 5057 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210759 [0,1,0,0,0,0|2,0,1]=4 5058 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000229939_100000754308 [0,1,0,0,0,0|2,0,1]=4 5059 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210759 [0,1,0,0,0,0|2,0,1]=4 5060 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 2230a_100000229939_100000750626 [0,1,0,0,0,0|2,0,1]=4 5061 B15R0.252 CCCCCCCCNCCCS(=O)(=O)N 34a_100000229939_100000750626 [0,1,0,0,0,0|2,0,1]=4 5062 B15R0.252 CCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000229939_100009813499 [0,1,0,0,0,0|2,0,1]=4 5063 B15R0.252 CCCCCCCCOCCCC(C)(C)O 34a_100000210232_100009888830 [0,1,0,0,0,0|2,0,1]=4 5064 B15R0.252 CCCCCCCCOCCCC(C)(C)O 7a_100000210232_100009888830 [0,1,0,0,0,0|2,0,1]=4 5065 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000210232_100000754308 [0,1,0,0,0,0|2,0,1]=4 5066 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210759 [0,1,0,0,0,0|2,0,1]=4 5067 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000210232_100000754308 [0,1,0,0,0,0|2,0,1]=4 5068 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210759 [0,1,0,0,0,0|2,0,1]=4 5069 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 34a_100000210232_100000750626 [0,1,0,0,0,0|2,0,1]=4 5070 B15R0.252 CCCCCCCCOCCCS(=O)(=O)N 7a_100000210232_100000750626 [0,1,0,0,0,0|2,0,1]=4 5071 B15R0.252 CCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210232_100009813499 [0,1,0,0,0,0|2,0,1]=4 5072 B15R0.252 CCCCCCCCSCCCC(C)(C)O 62a_100000210759_100009888830 [0,1,0,0,0,0|2,0,1]=4 5073 B15R0.252 CCCCCCCCSCCCC(C)(C)O 62a_100009888830_100000210317 [0,1,0,0,0,0|2,0,1]=4 5074 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000210759_100000754308 [0,1,0,0,0,0|2,0,1]=4 5075 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210317 [0,1,0,0,0,0|2,0,1]=4 5076 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000210759_100000750626 [0,1,0,0,0,0|2,0,1]=4 5077 B15R0.252 CCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210317 [0,1,0,0,0,0|2,0,1]=4 5078 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210759_100009813499 [0,1,0,0,0,0|2,0,1]=4 5079 B15R0.252 CCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210317 [0,1,0,0,0,0|2,0,1]=4 5080 B15R0.252 CCCCCCNCCCCCC(C)(C)O 2230a_100000210581_100010402123 [0,1,0,0,0,0|2,0,1]=4 5081 B15R0.252 CCCCCCOCCCCCC(C)(C)O 34a_100000210259_100010402123 [0,1,0,0,0,0|2,0,1]=4 5082 B15R0.252 CCCCCCOCCCCCC(C)(C)O 7a_100000210259_100010402123 [0,1,0,0,0,0|2,0,1]=4 5083 B15R0.252 CCCCCCSCCCCCC(C)(C)O 62a_100000210314_100010402123 [0,1,0,0,0,0|2,0,1]=4 5084 B15R0.252 CCCCCCSCCCCCC(C)(C)O 62a_100010402123_100000210757 [0,1,0,0,0,0|2,0,1]=4 5085 B15R0.367 C#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012276617 [0,1,0,0,0,0|1,0,2]=4 5086 B15R0.367 C=C(C)COCC(C)CCCCCCCC 34a_200012125181_100000748629 [0,1,0,0,0,0|3,0,0]=4 5087 B15R0.367 C=C(C)COCC(C)CCCCCCCC 7a_200012125181_100000748629 [0,1,0,0,0,0|3,0,0]=4 5088 B15R0.367 C=C(F)COCC(C)CCCCCCCC 34a_200012125181_100009893438 [0,1,0,0,0,0|3,0,0]=4 5089 B15R0.367 C=C(F)COCC(C)CCCCCCCC 7a_200012125181_100000042424 [0,1,0,0,0,0|3,0,0]=4 5090 B15R0.367 C=CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215473 [0,1,0,0,0,0|1,0,2]=4 5091 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,1,0,0,0,0|2,0,1]=4 5092 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCF 7a_100000761597_100015922095 [0,1,0,0,0,0|2,0,1]=4 5093 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCO 7a_100000761597_100000766143 [0,1,0,0,0,0|2,0,1]=4 5094 B15R0.367 CCCCCC#CCN(C)CCCC(=O)O 269956a_100000719178_100009816472 [0,1,0,0,0,0|1,0,2]=4 5095 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,1,0,0,0,0|1,0,1]=3 5096 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,1,0,0,0,0|1,0,1]=3 5097 B15R0.367 CCCCCCCCC(=O)CCCC(C)O 1458a_100000210188_200000718107 [0,1,0,0,0,0|1,0,2]=4 5098 B15R0.367 CCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210759 [0,1,0,0,0,0|1,0,2]=4 5099 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210759 [0,1,0,0,0,0|2,0,1]=4 5100 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000210188_100000189650 [0,1,0,0,0,0|2,0,1]=4 5101 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210759 [0,1,0,0,0,0|2,0,1]=4 5102 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000210188_200000034859 [0,1,0,0,0,0|2,0,1]=4 5103 B15R0.367 CCCCCCCCC(=O)CCOC(=O)C 1458a_100000210188_100009814007 [0,1,0,0,0,0|2,0,1]=4 5104 B15R0.367 CCCCCCCCC(=O)CCOC(=O)N 1458a_100000210188_200011214921 [0,1,0,0,0,0|2,0,1]=4 5105 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210759 [0,1,0,0,0,0|2,0,1]=4 5106 B15R0.367 CCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210759 [0,1,0,0,0,0|2,0,1]=4 5107 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210188 [0,1,0,0,0,0|2,0,1]=4 5108 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210188 [0,1,0,0,0,0|2,0,1]=4 5109 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210188 [0,1,0,0,0,0|2,0,1]=4 5110 B15R0.367 CCCCCCCCC(C)CNCC(C)O 270004a_100000210904_100011995885 [0,1,0,0,0,0|2,0,1]=4 5111 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,1,0,0,0,0|2,0,0]=3 5112 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,1,0,0,0,0|2,0,0]=3 5113 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,1,0,0,0,0|1,0,1]=3 5114 B15R0.367 CCCCCCCCC(C)COCC(C)O 34a_200012125181_100011218427 [0,1,0,0,0,0|2,0,1]=4 5115 B15R0.367 CCCCCCCCC(C)COCC(C)O 7a_200012125181_100011218427 [0,1,0,0,0,0|2,0,1]=4 5116 B15R0.367 CCCCCCCCC(C)COC[C@@H](C)O 34a_200012125181_100009817552 [0,1,0,0,0,0|2,0,1]=4 5117 B15R0.367 CCCCCCCCC(C)COC[C@@H](C)O 7a_200012125181_100009817552 [0,1,0,0,0,0|2,0,1]=4 5118 B15R0.367 CCCCCCCCC(C)COC[N+](=O)[O-] 34a_200012125181_100000761209 [0,1,0,0,0,0|2,0,1]=4 5119 B15R0.367 CCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011216694 [0,1,0,0,0,0|2,0,1]=4 5120 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,1,0,0,0,0|2,0,0]=3 5121 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,1,0,0,0,0|2,0,0]=3 5122 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,1,0,0,0,0|2,0,0]=3 5123 B15R0.367 CCCCCCCCC(C)OCCC(C)O 34a_100000210740_100012276601 [0,1,0,0,0,0|2,0,1]=4 5124 B15R0.367 CCCCCCCCC(C)OCCC(C)O 7a_100000210740_100012276601 [0,1,0,0,0,0|2,0,1]=4 5125 B15R0.367 CCCCCCCCC(C)OCOC(=O)C 34a_100000210740_100009813279 [0,1,0,0,0,0|3,0,0]=4 5126 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,1,0,0,0,0|2,0,0]=3 5127 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,1,0,0,0,0|2,0,0]=3 5128 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,1,0,0,0,0|1,0,0]=2 5129 B15R0.367 CCCCCCCCN(C)CCCC(C)O 2230a_100000207567_200000718107 [0,1,0,0,0,0|2,0,1]=4 5130 B15R0.367 CCCCCCCCN(C)CCCC(C)O 269982a_100000207567_200000718107 [0,1,0,0,0,0|2,0,1]=4 5131 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 2230a_100000207567_100000189650 [0,1,0,0,0,0|3,0,0]=4 5132 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 269982a_100000207567_100000189650 [0,1,0,0,0,0|3,0,0]=4 5133 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 2230a_100000207567_200000034859 [0,1,0,0,0,0|3,0,0]=4 5134 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 269982a_100000207567_200000034859 [0,1,0,0,0,0|3,0,0]=4 5135 B15R0.367 CCCCCCCCN(C)CCOC(=O)C 269982a_100000207567_100009814007 [0,1,0,0,0,0|3,0,0]=4 5136 B15R0.367 CCCCCCCCN(C)CCOC(=O)N 269982a_100000207567_200011214921 [0,1,0,0,0,0|3,0,0]=4 5137 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,1,0,0,0,0|1,0,1]=3 5138 B15R0.367 CCCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000743108 [0,1,0,0,0,0|2,0,1]=4 5139 B15R0.367 CCOCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011211534 [0,1,0,0,0,0|3,0,0]=4 5140 B15R0.367 CN(CCCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813337 [0,1,0,0,0,0|2,0,1]=4 5141 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [0,1,0,0,0,0|2,0,0]=3 5142 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [0,1,0,0,0,0|2,0,0]=3 5143 B15R0.367 COCCOCCCN(C)CCCC(=O)O 269956a_100000719178_100011216529 [0,1,0,0,0,0|3,0,0]=4 5144 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [0,1,0,0,0,0|2,0,1]=4 5145 B15R1.34 CCCCCCCCCN1CCC(C1)O 2230a_100011215560_100011214924 [0,0,0,1,0,0|2,0,1]=4 5146 B15R1.34 CCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210670 [0,0,0,1,0,0|2,0,1]=4 5147 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [0,0,0,1,0,0|3,0,0]=4 5148 B15R1.34 CCCCCCCCNC1CCC(C1)O 270004a_100000229939_100012614533 [0,0,0,1,0,0|2,0,1]=4 5149 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,0,0,1,0,0|3,0,0]=4 5150 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,0,0,1,0,0|2,0,0]=3 5151 B15R1.34 CCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210759 [0,0,0,1,0,0|2,0,1]=4 5152 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,0,0,1,0,0|2,0,0]=3 5153 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,0,0,1,0,0|3,0,0]=4 5154 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,0,0,1,0,0|2,0,0]=3 5155 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,0,0,1,0,0|2,0,0]=3 5156 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,0,0,1,0,0|3,0,0]=4 5157 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,0,0,1,0,0|3,0,0]=4 5158 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,0,0,1,0,0|2,0,0]=3 5159 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,0,0,1,0,0|2,0,0]=3 5160 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,0,0,1,0,0|2,0,0]=3 5161 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,0,0,1,0,0|2,0,0]=3 5162 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,0,0,1,0,0|3,0,0]=4 5163 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,0,0,1,0,0|2,0,0]=3 5164 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,0,0,1,0,0|3,0,0]=4 5165 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,0,0,1,0,0|2,0,0]=3 5166 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,0,0,1,0,0|2,0,0]=3 5167 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,0,0,1,0,0|2,0,0]=3 5168 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,0,0,1,0,0|2,0,0]=3 5169 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,0,0,1,0,0|2,0,0]=3 5170 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,0,0,1,0,0|3,0,0]=4 5171 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,0,0,1,0,0|3,0,0]=4 5172 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,0,0,1,0,0|2,0,0]=3 5173 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,0,0,1,0,0|2,0,0]=3 5174 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,0,0,1,0,0|2,0,0]=3 5175 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,0,0,1,0,0|2,0,0]=3 5176 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,0,0,1,0,0|2,0,0]=3 5177 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,0,0,1,0,0|2,0,0]=3 5178 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,0,0,1,0,0|3,0,0]=4 5179 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,0,0,1,0,0|3,0,0]=4 5180 B15R1.34 CCCCCCOCCC1COS(=O)O1 7a_100000210259_100009840081 [0,0,0,1,0,0|3,0,0]=4 5181 B15R1.34 CCCCCCSCCC1COS(=O)O1 62a_100000210314_100009840081 [0,0,0,1,0,0|3,0,0]=4 5182 B15R1.34 CCCCCNCCOC1COC(=O)O1 34a_100000224656_100000032252 [0,0,0,1,0,0|3,0,0]=4 5183 B15R1.34 CCCCCOCCOC1COC(=O)O1 34a_100011215259_100000032252 [0,0,0,1,0,0|3,0,0]=4 5184 B15R1.34 CCCCOCCCNC1COC(=O)O1 34a_200000211371_100000032252 [0,0,0,1,0,0|3,0,0]=4 5185 B15R1.34 CCCCOCCCOC1COC(=O)O1 34a_200011215613_100000032252 [0,0,0,1,0,0|3,0,0]=4 5186 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000743108 [0,0,0,1,0,0|3,0,0]=4 5187 B15R1.34 CCCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000743108 [0,0,0,1,0,0|3,0,0]=4 5188 B15R1.34 CCCCOCCOCC1CCC(=O)N1 34a_100000737831_100000743108 [0,0,0,1,0,0|3,0,0]=4 5189 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100000210238_100000181169 [0,0,0,1,0,0|3,0,0]=4 5190 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100011315639_100000743108 [0,0,0,1,0,0|3,0,0]=4 5191 B15R1.34 CCCCOCCOCC1CNC(=O)O1 7a_100000210238_100000181169 [0,0,0,1,0,0|3,0,0]=4 5192 B15R1.34 CCCCOCCOCC1COC(=O)O1 34a_100000210238_100000073702 [0,0,0,1,0,0|3,0,0]=4 5193 B15R1.34 CCCCOCCOC[C@@H]1CCC(=O)N1 7a_100000210238_100015189358 [0,0,0,1,0,0|3,0,0]=4 5194 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000181169_100000743108 [0,0,0,1,0,0|3,0,0]=4 5195 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000743108_100000181169 [0,0,0,1,0,0|3,0,0]=4 5196 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000073702_100000743108 [0,0,0,1,0,0|3,0,0]=4 5197 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000743108_100000073702 [0,0,0,1,0,0|3,0,0]=4 5198 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100000743108_100015189358 [0,0,0,1,0,0|3,0,0]=4 5199 B15R1.34 CCCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000743108 [0,0,0,1,0,0|3,0,0]=4 5200 B15R1.34 CCCCSCCNCC1CNC(=O)O1 2230a_100025743550_100000181169 [0,0,0,1,0,0|3,0,0]=4 5201 B15R1.34 CCCCSCCNC[C@@H]1CCC(=O)N1 2230a_100025743550_100015189358 [0,0,0,1,0,0|3,0,0]=4 5202 B15R1.34 CCCCSCCOCC1CNC(=O)O1 34a_200000230436_100000181169 [0,0,0,1,0,0|3,0,0]=4 5203 B15R1.34 CCCCSCCOCC1CNC(=O)O1 7a_200000230436_100000181169 [0,0,0,1,0,0|3,0,0]=4 5204 B15R1.34 CCCCSCCOCC1COC(=O)O1 34a_200000230436_100000073702 [0,0,0,1,0,0|3,0,0]=4 5205 B15R1.34 CCCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230436_100015189358 [0,0,0,1,0,0|3,0,0]=4 5206 B15R1.34 CCCOCCCNCC1CNC(=O)O1 2230a_100011217757_100000181169 [0,0,0,1,0,0|3,0,0]=4 5207 B15R1.34 CCCOCCCNCC1CNC(=O)O1 34a_100011217757_100000181169 [0,0,0,1,0,0|3,0,0]=4 5208 B15R1.34 CCCOCCCNCC1COC(=O)O1 34a_100011217757_100000073702 [0,0,0,1,0,0|3,0,0]=4 5209 B15R1.34 CCCOCCCNC[C@@H]1CCC(=O)N1 2230a_100011217757_100015189358 [0,0,0,1,0,0|3,0,0]=4 5210 B15R1.34 CNCCCCCOCC1CNC(=O)O1 34a_100000722520_100000181169 [0,0,0,1,0,0|3,0,0]=4 5211 B15R1.34 CNCCCCCOCC1COC(=O)O1 34a_100000722520_100000073702 [0,0,0,1,0,0|3,0,0]=4 5212 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [0,0,0,1,0,0|3,0,0]=4 5213 B15R1.34 COCCCCCCOC1COC(=O)O1 34a_200012092642_100000032252 [0,0,0,1,0,0|3,0,0]=4 5214 B15R1.34 COCCCCCCSC1COC(=O)O1 62a_100011998445_100000032252 [0,0,0,1,0,0|3,0,0]=4 5215 B15R1.34 COCCCCCNCC1CNC(=O)O1 2230a_100000747528_100000181169 [0,0,0,1,0,0|3,0,0]=4 5216 B15R1.34 COCCCCCNCC1CNC(=O)O1 34a_100000747528_100000181169 [0,0,0,1,0,0|3,0,0]=4 5217 B15R1.34 COCCCCCNCC1COC(=O)O1 34a_100000747528_100000073702 [0,0,0,1,0,0|3,0,0]=4 5218 B15R1.34 COCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000747528_100015189358 [0,0,0,1,0,0|3,0,0]=4 5219 B15R1.34 NCCCCCCCOC1COC(=O)O1 34a_100011996573_100000032252 [0,0,0,1,0,0|3,0,0]=4 5220 B15R1.34 NCCCCCCOCC1CNC(=O)O1 34a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 5221 B15R1.34 NCCCCCCOCC1COC(=O)O1 34a_100000686447_100000073702 [0,0,0,1,0,0|3,0,0]=4 5222 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,0,0,1,0,0|3,0,0]=4 5223 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,0,0,1,0,0|3,0,0]=4 5224 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,0,0,1,0,0|3,0,0]=4 5225 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,0,0,1,0,0|3,0,0]=4 5226 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,0,0,1,0,0|3,0,0]=4 5227 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,0,0,1,0,0|3,0,0]=4 5228 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,0,0,1,0,0|3,0,0]=4 5229 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,0,0,1,0,0|3,0,0]=4 5230 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,0,0,1,0,0|3,0,0]=4 5231 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,0,0,1,0,0|3,0,0]=4 5232 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,0,0,1,0,0|3,0,0]=4 5233 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,0,0,1,0,0|3,0,0]=4 5234 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,0,0,1,0,0|3,0,0]=4 5235 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,0,0,1,0,0|3,0,0]=4 5236 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,0,0,1,0,0|3,0,0]=4 5237 B15R1.34 O=C1NCC(O1)CNCCCCCCO 2230a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 5238 B15R1.34 O=C1NCC(O1)CNCCCCCCO 34a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 5239 B15R1.34 O=C1NCC(O1)COCCCCCCBr 34a_100011215345_100000181169 [0,0,0,1,0,0|3,0,0]=4 5240 B15R1.34 O=C1NCC(O1)COCCCCCCBr 7a_100011215345_100000181169 [0,0,0,1,0,0|3,0,0]=4 5241 B15R1.34 O=C1NCC(O1)COCCCCCCCl 34a_100000766143_100000181169 [0,0,0,1,0,0|3,0,0]=4 5242 B15R1.34 O=C1NCC(O1)COCCCCCCCl 7a_100000766143_100000181169 [0,0,0,1,0,0|3,0,0]=4 5243 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100000732779_100000181169 [0,0,0,1,0,0|3,0,0]=4 5244 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100011315639_100015922095 [0,0,0,1,0,0|3,0,0]=4 5245 B15R1.34 O=C1NCC(O1)COCCCCCCF 7a_100000732779_100000181169 [0,0,0,1,0,0|3,0,0]=4 5246 B15R1.34 O=C1NCC(O1)COCCCCCCO 34a_100011315639_100000766143 [0,0,0,1,0,0|3,0,0]=4 5247 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100000181169_100015922095 [0,0,0,1,0,0|3,0,0]=4 5248 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100015922095_100000181169 [0,0,0,1,0,0|3,0,0]=4 5249 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [0,0,0,1,0,0|3,0,0]=4 5250 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [0,0,0,1,0,0|3,0,0]=4 5251 B15R1.34 O=C1OCC(O1)CNCCCCCCO 34a_100000686447_100000073702 [0,0,0,1,0,0|3,0,0]=4 5252 B15R1.34 O=C1OCC(O1)COCCCCCCBr 34a_100011215345_100000073702 [0,0,0,1,0,0|3,0,0]=4 5253 B15R1.34 O=C1OCC(O1)COCCCCCCCl 34a_100000766143_100000073702 [0,0,0,1,0,0|3,0,0]=4 5254 B15R1.34 O=C1OCC(O1)COCCCCCCF 34a_100000732779_100000073702 [0,0,0,1,0,0|3,0,0]=4 5255 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100000073702_100015922095 [0,0,0,1,0,0|3,0,0]=4 5256 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100015922095_100000073702 [0,0,0,1,0,0|3,0,0]=4 5257 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000073702_100000766143 [0,0,0,1,0,0|3,0,0]=4 5258 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000766143_100000073702 [0,0,0,1,0,0|3,0,0]=4 5259 B15R1.34 O=C1OCC(O1)NCCCCCCCO 34a_100011996573_100000032252 [0,0,0,1,0,0|3,0,0]=4 5260 B15R1.34 O=C1OCC(O1)OCCCCCCCBr 34a_100000760002_100000032252 [0,0,0,1,0,0|3,0,0]=4 5261 B15R1.34 O=C1OCC(O1)SCCCCCCCO 62a_100000760002_100000032252 [0,0,0,1,0,0|3,0,0]=4 5262 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,0,0,1,0,0|3,0,0]=4 5263 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,0,0,1,0,0|3,0,0]=4 5264 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,0,0,1,0,0|3,0,0]=4 5265 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,0,0,1,0,0|2,0,0]=3 5266 B15R1.84 CCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000757040 [0,0,0,1,0,0|3,0,0]=4 5267 B15R1.84 CCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100000757040 [0,0,0,1,0,0|3,0,0]=4 5268 B15R1.84 CCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000757040 [0,0,0,1,0,0|3,0,0]=4 5269 B15R1.84 CCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100000757040 [0,0,0,1,0,0|3,0,0]=4 5270 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,0,0,1,0,0|2,0,0]=3 5271 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,0,0,1,0,0|2,0,0]=3 5272 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,0,0,1,0,0|2,0,0]=3 5273 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,0,0,1,0,0|2,0,0]=3 5274 B15R1.84 CCC1CCCCC1OCCCC(C)O 34a_100000210738_200000718107 [0,0,0,1,0,0|2,0,1]=4 5275 B15R1.84 CCC1CCCCC1OCCCC(C)O 7a_100000210738_200000718107 [0,0,0,1,0,0|2,0,1]=4 5276 B15R1.84 CCC1CCCCC1OCCNC(=O)C 7a_100000210738_100000189650 [0,0,0,1,0,0|3,0,0]=4 5277 B15R1.84 CCC1CCCCC1OCCNC(=O)N 7a_100000210738_200000034859 [0,0,0,1,0,0|3,0,0]=4 5278 B15R1.84 CCC1CCCCC1OCCOC(=O)C 34a_100000210738_100009814007 [0,0,0,1,0,0|3,0,0]=4 5279 B15R1.84 CCC1CCCCC1OCCOC(=O)C 7a_100000210738_100009814007 [0,0,0,1,0,0|3,0,0]=4 5280 B15R1.84 CCC1CCCCC1OCCOC(=O)N 34a_100000210738_200011214921 [0,0,0,1,0,0|3,0,0]=4 5281 B15R1.84 CCC1CCCCC1OCCOC(=O)N 7a_100000210738_200011214921 [0,0,0,1,0,0|3,0,0]=4 5282 B15R1.84 CCC1CCCCN1CCCCB(O)O 2230a_100000210034_200009817182 [0,0,0,1,0,0|2,0,1]=4 5283 B15R1.84 CCC1CCCCN1CCCCB(O)O 269982a_100000210034_200009817182 [0,0,0,1,0,0|2,0,1]=4 5284 B15R1.84 CCC1CCCCN1CCCCB(O)O 34a_100000210034_200009817182 [0,0,0,1,0,0|2,0,1]=4 5285 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,0,0,1,0,0|2,0,0]=3 5286 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,0,0,1,0,0|2,0,0]=3 5287 B15R1.84 CCC1CCCCN1CCCNC(=O)C 11a_100011191702_100015343762 [0,0,0,1,0,0|3,0,0]=4 5288 B15R1.84 CCC1CCCCN1CCCNC(=O)C 1626a_100011191702_100015343762 [0,0,0,1,0,0|3,0,0]=4 5289 B15R1.84 CCC1CCCCN1CCCNC(=O)C 240690a_100011191702_100015343762 [0,0,0,1,0,0|3,0,0]=4 5290 B15R1.84 CCC1CCCCN1CCCNC(=O)C 527a_100011191702_100103153847 [0,0,0,1,0,0|3,0,0]=4 5291 B15R1.84 CCC1CCCCN1CCCOC(=O)C 269982a_100000210034_100000042594 [0,0,0,1,0,0|3,0,0]=4 5292 B15R1.84 CCC1CCCCN1CCCOC(=O)C 34a_100000210034_100000042594 [0,0,0,1,0,0|3,0,0]=4 5293 B15R1.84 CCC1CCCCN1CCCSC(=O)C 2230a_100000210034_100000038929 [0,0,0,1,0,0|3,0,0]=4 5294 B15R1.84 CCC1CCCCN1CCCSC(=O)C 269982a_100000210034_100000038929 [0,0,0,1,0,0|3,0,0]=4 5295 B15R1.84 CCC1CCCCN1CCCSC(=O)C 34a_100000210034_100000038929 [0,0,0,1,0,0|3,0,0]=4 5296 B15R1.84 CCC1CCCCN1CCNCC(=O)N 2230a_100000755458_100000747473 [0,0,0,1,0,0|3,0,0]=4 5297 B15R1.84 CCC1CCCCN1CCNCC(=O)N 34a_100000755458_100000187820 [0,0,0,1,0,0|3,0,0]=4 5298 B15R1.84 CCC1CCCCN1CCNCC(=O)[O-] 34a_100000755458_100020667443 [0,0,0,1,0,0|2,0,1]=4 5299 B15R1.84 CCC1CCCCN1CCOCC(=O)N 2230a_100000210034_100000076697 [0,0,0,1,0,0|3,0,0]=4 5300 B15R1.84 CCC1CCCCN1CCOCC(=O)N 269982a_100000210034_100000076697 [0,0,0,1,0,0|3,0,0]=4 5301 B15R1.84 CCC1CCCCN1CCOCC(=O)N 34a_100000210034_100000076697 [0,0,0,1,0,0|3,0,0]=4 5302 B15R1.84 CCN1CCCCC1CNCCC(=O)N 2230a_100000754393_100000744528 [0,0,0,1,0,0|3,0,0]=4 5303 B15R1.84 CCN1CCCCC1CNCCC(=O)N 34a_100000754393_100000731001 [0,0,0,1,0,0|3,0,0]=4 5304 B15R1.84 CCN1CCCCC1COCCC(=O)C 7a_100000225091_100000053229 [0,0,0,1,0,0|3,0,0]=4 5305 B15R1.84 CCN1CCCCC1COCCC(=O)N 34a_100000225091_100000731001 [0,0,0,1,0,0|3,0,0]=4 5306 B15R1.84 CCN1CCCCC1COCCC(=O)N 7a_100000225091_100000744528 [0,0,0,1,0,0|3,0,0]=4 5307 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 269982a_100016988097_100000735457 [0,0,0,1,0,0|3,0,0]=4 5308 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 34a_100016988097_100009817362 [0,0,0,1,0,0|3,0,0]=4 5309 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)C 34a_100000708425_100000685027 [0,0,0,1,0,0|3,0,0]=4 5310 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)N 34a_100000708425_100102525003 [0,0,0,1,0,0|3,0,0]=4 5311 B15R1.84 COC1CCCCC1NCCCC(=O)C 34a_100011208099_100000685027 [0,0,0,1,0,0|3,0,0]=4 5312 B15R1.84 COC1CCCCC1NCCCC(=O)N 34a_100011208099_100102525003 [0,0,0,1,0,0|3,0,0]=4 5313 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 34a_200009815850_100000685027 [0,0,0,1,0,0|3,0,0]=4 5314 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 7a_200009815850_100011215641 [0,0,0,1,0,0|3,0,0]=4 5315 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 34a_200009815850_100102525003 [0,0,0,1,0,0|3,0,0]=4 5316 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)N 7a_200009815850_100102525003 [0,0,0,1,0,0|3,0,0]=4 5317 B15R1.84 NCC1CCCCC1OCCCC(=O)N 34a_100011216029_100102525003 [0,0,0,1,0,0|3,0,0]=4 5318 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,0,0,1,0,0|2,0,0]=3 5319 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,0,0,1,0,0|2,0,0]=3 5320 B15R1.95 CCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000749056 [0,0,0,1,0,0|3,0,0]=4 5321 B15R1.95 CCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000749056 [0,0,0,1,0,0|3,0,0]=4 5322 B15R1.95 CCC1CCCN1CCCCCB(O)O 2230a_100000754278_200009817188 [0,0,0,1,0,0|2,0,1]=4 5323 B15R1.95 CCC1CCCN1CCCCCB(O)O 269982a_100000754278_200009817188 [0,0,0,1,0,0|2,0,1]=4 5324 B15R1.95 CCC1CCCN1CCCCCB(O)O 34a_100000754278_200009817188 [0,0,0,1,0,0|2,0,1]=4 5325 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,0,0,1,0,0|2,0,0]=3 5326 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,0,0,1,0,0|2,0,0]=3 5327 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,0,0,1,0,0|2,0,0]=3 5328 B15R1.95 CCC1CCCN1CCCCOC(=O)C 269982a_100000754278_100000033659 [0,0,0,1,0,0|3,0,0]=4 5329 B15R1.95 CCC1CCCN1CCCCOC(=O)C 34a_100000754278_100000033659 [0,0,0,1,0,0|3,0,0]=4 5330 B15R1.95 CCC1CCCN1CCCCSC(=O)C 2230a_100000754278_200010402107 [0,0,0,1,0,0|3,0,0]=4 5331 B15R1.95 CCC1CCCN1CCCCSC(=O)C 269982a_100000754278_200010402107 [0,0,0,1,0,0|3,0,0]=4 5332 B15R1.95 CCC1CCCN1CCCCSC(=O)C 34a_100000754278_200010402107 [0,0,0,1,0,0|3,0,0]=4 5333 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 34a_100011739246_100000685027 [0,0,0,1,0,0|3,0,0]=4 5334 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 7a_100011739246_100011215641 [0,0,0,1,0,0|3,0,0]=4 5335 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 34a_100011739246_100102525003 [0,0,0,1,0,0|3,0,0]=4 5336 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)N 7a_100011739246_100102525003 [0,0,0,1,0,0|3,0,0]=4 5337 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 5338 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 5339 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 5340 B15R1.106 CCCCCCCCN1CCCC(C1)O 2230a_100000211013_100000210759 [0,0,0,1,0,0|2,0,1]=4 5341 B15R1.106 CCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210759 [0,0,0,1,0,0|2,0,1]=4 5342 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,0,0,1,0,0|3,0,0]=4 5343 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,0,0,1,0,0|3,0,0]=4 5344 B15R1.106 CCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210681 [0,0,0,1,0,0|2,0,1]=4 5345 B15R1.106 CCCCCCCNC1CCCC(C1)O 270004a_100000229938_100012613340 [0,0,0,1,0,0|2,0,1]=4 5346 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,0,0,1,0,0|3,0,0]=4 5347 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,0,0,1,0,0|3,0,0]=4 5348 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,0,0,1,0,0|3,0,0]=4 5349 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,0,0,1,0,0|2,0,0]=3 5350 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,0,0,1,0,0|3,0,0]=4 5351 B15R1.106 CCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210314 [0,0,0,1,0,0|2,0,1]=4 5352 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,0,0,1,0,0|2,0,0]=3 5353 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,0,0,1,0,0|3,0,0]=4 5354 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,0,0,1,0,0|3,0,0]=4 5355 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,0,0,1,0,0|3,0,0]=4 5356 B15R1.106 CCCCOCOCC1CCCC(=O)N1 34a_200000102386_100011995733 [0,0,0,1,0,0|3,0,0]=4 5357 B15R1.106 CCCOCCOCC1CCCC(=O)N1 34a_200000102386_100011215938 [0,0,0,1,0,0|3,0,0]=4 5358 B15R1.106 CCOCCCOCC1CCCC(=O)N1 34a_200000102386_100012232248 [0,0,0,1,0,0|3,0,0]=4 5359 B15R1.106 COCCCCOCC1CCCC(=O)N1 34a_200000102386_100000755781 [0,0,0,1,0,0|3,0,0]=4 5360 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,0,0,1,0,0|3,0,0]=4 5361 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,0,0,1,0,0|3,0,0]=4 5362 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,0,0,1,0,0|3,0,0]=4 5363 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,0,0,1,0,0|3,0,0]=4 5364 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,0,0,1,0,0|2,0,0]=3 5365 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,0,0,1,0,0|3,0,0]=4 5366 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,0,0,1,0,0|2,0,0]=3 5367 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,0,0,1,0,0|2,0,0]=3 5368 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,0,0,1,0,0|3,0,0]=4 5369 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,0,0,1,0,0|3,0,0]=4 5370 B15R1.131 CC(=O)CCCCOC1CCNCC1C 34a_100011998114_100009817362 [0,0,0,1,0,0|3,0,0]=4 5371 B15R1.131 CC(=O)CCCCOC1CNCCC1C 34a_100000696640_100009817362 [0,0,0,1,0,0|3,0,0]=4 5372 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,0,0,1,0,0|3,0,0]=4 5373 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,0,0,1,0,0|3,0,0]=4 5374 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,0,0,1,0,0|3,0,0]=4 5375 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,0,0,1,0,0|3,0,0]=4 5376 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,0,0,1,0,0|3,0,0]=4 5377 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,0,0,1,0,0|3,0,0]=4 5378 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,0,0,1,0,0|3,0,0]=4 5379 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,0,0,1,0,0|3,0,0]=4 5380 B15R1.131 CC(=O)CCCNCC1CCCCN1C 34a_100011228421_100000685027 [0,0,0,1,0,0|3,0,0]=4 5381 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000225079_100000685027 [0,0,0,1,0,0|3,0,0]=4 5382 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000759063_100015186950 [0,0,0,1,0,0|3,0,0]=4 5383 B15R1.131 CC(=O)CCCOCC1CCCCN1C 7a_100000759063_100015185383 [0,0,0,1,0,0|3,0,0]=4 5384 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100011215641_100015185383 [0,0,0,1,0,0|3,0,0]=4 5385 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100015185383_100011215641 [0,0,0,1,0,0|3,0,0]=4 5386 B15R1.131 CC(=O)CCOCCC1CCCCN1C 34a_100000759926_100000211948 [0,0,0,1,0,0|3,0,0]=4 5387 B15R1.131 CC(=O)CCOCCC1CCCCN1C 7a_100000759926_100000211948 [0,0,0,1,0,0|3,0,0]=4 5388 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000053229_100000211948 [0,0,0,1,0,0|3,0,0]=4 5389 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000053229 [0,0,0,1,0,0|3,0,0]=4 5390 B15R1.131 CC(=O)NCCCNC1CCCCC1C 269862a_100000736810_100000210921 [0,0,0,1,0,0|3,0,0]=4 5391 B15R1.131 CC(=O)NCCCNC1CCCCC1C 270004a_100000736810_100000210921 [0,0,0,1,0,0|3,0,0]=4 5392 B15R1.131 CC(=O)OCCCCN1CCCCC1C 269982a_100000211376_100000033659 [0,0,0,1,0,0|3,0,0]=4 5393 B15R1.131 CC(=O)OCCCCN1CCCCC1C 34a_100000211376_100000033659 [0,0,0,1,0,0|3,0,0]=4 5394 B15R1.131 CC(=O)OCCCNC1CCCCC1C 34a_100000211402_100000042594 [0,0,0,1,0,0|3,0,0]=4 5395 B15R1.131 CC(=O)OCCCOC1CCCCC1C 34a_100000211207_100000042594 [0,0,0,1,0,0|3,0,0]=4 5396 B15R1.131 CC(=O)OCCCOC1CCCCC1C 7a_100000211207_100000042594 [0,0,0,1,0,0|3,0,0]=4 5397 B15R1.131 CC(=O)SCCCCN1CCCCC1C 2230a_100000211376_200010402107 [0,0,0,1,0,0|3,0,0]=4 5398 B15R1.131 CC(=O)SCCCCN1CCCCC1C 269982a_100000211376_200010402107 [0,0,0,1,0,0|3,0,0]=4 5399 B15R1.131 CC(=O)SCCCCN1CCCCC1C 34a_100000211376_200010402107 [0,0,0,1,0,0|3,0,0]=4 5400 B15R1.131 CC(=O)SCCCNC1CCCCC1C 2230a_100000211402_100000038929 [0,0,0,1,0,0|3,0,0]=4 5401 B15R1.131 CC(=O)SCCCNC1CCCCC1C 34a_100000211402_100000038929 [0,0,0,1,0,0|3,0,0]=4 5402 B15R1.131 CC(=O)SCCCOC1CCCCC1C 34a_100000211207_100000038929 [0,0,0,1,0,0|3,0,0]=4 5403 B15R1.131 CC(=O)SCCCOC1CCCCC1C 7a_100000211207_100000038929 [0,0,0,1,0,0|3,0,0]=4 5404 B15R1.131 CC1CCCCC1NCCCCB(O)O 2230a_100000211402_200009817182 [0,0,0,1,0,0|2,0,1]=4 5405 B15R1.131 CC1CCCCC1NCCCCB(O)O 34a_100000211402_200009817182 [0,0,0,1,0,0|2,0,1]=4 5406 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,0,0,1,0,0|2,0,0]=3 5407 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,0,0,1,0,0|2,0,0]=3 5408 B15R1.131 CC1CCCCC1NCCOCC(=O)N 2230a_100000211402_100000076697 [0,0,0,1,0,0|3,0,0]=4 5409 B15R1.131 CC1CCCCC1NCCOCC(=O)N 34a_100000211402_100000076697 [0,0,0,1,0,0|3,0,0]=4 5410 B15R1.131 CC1CCCCC1OCCCCB(O)O 34a_100000211207_200009817182 [0,0,0,1,0,0|2,0,1]=4 5411 B15R1.131 CC1CCCCC1OCCCCB(O)O 7a_100000211207_200009817182 [0,0,0,1,0,0|2,0,1]=4 5412 B15R1.131 CC1CCCCC1OCCOCC(=O)N 34a_100000211207_100000076697 [0,0,0,1,0,0|3,0,0]=4 5413 B15R1.131 CC1CCCCC1OCCOCC(=O)N 7a_100000211207_100000076697 [0,0,0,1,0,0|3,0,0]=4 5414 B15R1.131 CC1CCCCN1CCCCCB(O)O 2230a_100000211376_200009817188 [0,0,0,1,0,0|2,0,1]=4 5415 B15R1.131 CC1CCCCN1CCCCCB(O)O 269982a_100000211376_200009817188 [0,0,0,1,0,0|2,0,1]=4 5416 B15R1.131 CC1CCCCN1CCCCCB(O)O 34a_100000211376_200009817188 [0,0,0,1,0,0|2,0,1]=4 5417 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,0,0,1,0,0|2,0,0]=3 5418 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,0,0,1,0,0|2,0,0]=3 5419 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,0,0,1,0,0|2,0,0]=3 5420 B15R1.131 CC1CCCCN1CCCNCC(=O)N 34a_100000212276_100000187820 [0,0,0,1,0,0|3,0,0]=4 5421 B15R1.131 CC1CCCCN1CCCNCC(=O)[O-] 34a_100000212276_100020667443 [0,0,0,1,0,0|2,0,1]=4 5422 B15R1.131 CC1CCCCN1CCCOCC(=O)N 34a_100000213889_100000187820 [0,0,0,1,0,0|3,0,0]=4 5423 B15R1.131 CC1CCCCN1CCCOCC(=O)N 7a_100000213889_100000187820 [0,0,0,1,0,0|3,0,0]=4 5424 B15R1.131 CC1CCCCN1CCCOCC(=O)[O-] 34a_100000213889_100020667443 [0,0,0,1,0,0|2,0,1]=4 5425 B15R1.131 CC1CCCCN1CCNCCC(=O)N 2230a_100000739827_100000744528 [0,0,0,1,0,0|3,0,0]=4 5426 B15R1.131 CC1CCCCN1CCNCCC(=O)N 34a_100000739827_100000731001 [0,0,0,1,0,0|3,0,0]=4 5427 B15R1.131 CC1CCCCN1CCOCCC(=O)N 34a_100011305533_100000731001 [0,0,0,1,0,0|3,0,0]=4 5428 B15R1.131 CC1CNCCC1NCCCCC(=O)N 270004a_100000696515_100000703950 [0,0,0,1,0,0|3,0,0]=4 5429 B15R1.131 CC1COCCC1NCCCCC(=O)N 270004a_100000696515_100000755695 [0,0,0,1,0,0|3,0,0]=4 5430 B15R1.131 CN1CCCCC1CCNOCC(=O)O 269956a_100000106656_100000211948 [0,0,0,1,0,0|3,0,0]=4 5431 B15R1.131 CN1CCCCC1CCOCCC(=O)N 34a_100000757172_100000211948 [0,0,0,1,0,0|3,0,0]=4 5432 B15R1.131 CN1CCCCC1CCOCCC(=O)N 7a_100000757172_100000211948 [0,0,0,1,0,0|3,0,0]=4 5433 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000211948_100000744528 [0,0,0,1,0,0|3,0,0]=4 5434 B15R1.131 CN1CCCCC1CCSCCC(=O)N 62a_100000744528_100000211948 [0,0,0,1,0,0|3,0,0]=4 5435 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100000739312_100015186950 [0,0,0,1,0,0|3,0,0]=4 5436 B15R1.131 CN1CCCCC1CNCCCC(=O)N 34a_100011228421_100102525003 [0,0,0,1,0,0|3,0,0]=4 5437 B15R1.131 CN1CCCCC1COCCCC(=O)N 34a_100000225079_100102525003 [0,0,0,1,0,0|3,0,0]=4 5438 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100015185383_100102525003 [0,0,0,1,0,0|3,0,0]=4 5439 B15R1.131 CN1CCCCC1CSCCCC(=O)N 62a_100102525003_100015185383 [0,0,0,1,0,0|3,0,0]=4 5440 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 2230a_100009815349_100009817443 [0,0,0,1,0,0|3,0,0]=4 5441 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 269982a_100009815349_100009817443 [0,0,0,1,0,0|3,0,0]=4 5442 B15R1.131 C[C@H]1COCCN1CCCCCC(=O)N 34a_100009815349_100009817443 [0,0,0,1,0,0|3,0,0]=4 5443 B15R1.131 NC(=O)CCCCNC1CCCCC1F 34a_100000696515_100015423560 [0,0,0,1,0,0|3,0,0]=4 5444 B15R1.131 NC(=O)CCCCNC1CCCCC1O 34a_100000696515_100000038908 [0,0,0,1,0,0|3,0,0]=4 5445 B15R1.131 NC(=O)CCCCOC1CCCCC1F 34a_100012022536_100015423560 [0,0,0,1,0,0|3,0,0]=4 5446 B15R1.131 NC(=O)CCCCOC1CCCCC1O 34a_100012022536_100000038908 [0,0,0,1,0,0|3,0,0]=4 5447 B15R1.131 NC(=O)CCCNCC1CCCCC1O 34a_100011216029_100102525003 [0,0,0,1,0,0|3,0,0]=4 5448 B15R1.131 O=C(O)COCCNC1CCCCC1F 269956a_100000700818_100015423560 [0,0,0,1,0,0|3,0,0]=4 5449 B15R1.131 O=C(O)COCCNC1CCCCC1O 269956a_100000700818_100000038908 [0,0,0,1,0,0|3,0,0]=4 5450 B15R1.241 C#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100010269958 [0,0,0,1,0,0|1,0,2]=4 5451 B15R1.241 C#CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215417 [0,0,0,1,0,0|1,0,2]=4 5452 B15R1.241 C=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215482 [0,0,0,1,0,0|1,0,2]=4 5453 B15R1.241 C=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011713584 [0,0,0,1,0,0|1,0,2]=4 5454 B15R1.241 CC/C=C\CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100015370543 [0,0,0,1,0,0|1,0,2]=4 5455 B15R1.241 CC/C=C\CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100103147603 [0,0,0,1,0,0|1,0,2]=4 5456 B15R1.241 CCC#CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009813939 [0,0,0,1,0,0|1,0,2]=4 5457 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,0,0,1,0,0|2,0,0]=3 5458 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,0,0,1,0,0|2,0,0]=3 5459 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,0,0,1,0,0|2,0,0]=3 5460 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,0,0,1,0,0|1,0,0]=2 5461 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [0,0,0,1,0,0|2,0,0]=3 5462 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [0,0,0,1,0,0|2,0,0]=3 5463 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [0,0,0,1,0,0|2,0,0]=3 5464 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,0,0,1,0,0|1,0,0]=2 5465 B15R1.241 CCCCOCN1CCCCC1C(=O)N 2230a_100000181395_100011995733 [0,0,0,1,0,0|3,0,0]=4 5466 B15R1.241 CCCCOCN1CCCCC1C(=O)N 269982a_100000181395_100011995733 [0,0,0,1,0,0|3,0,0]=4 5467 B15R1.241 CCCCOCN1CCCCC1C(=O)N 34a_100000181395_100011995733 [0,0,0,1,0,0|3,0,0]=4 5468 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [0,0,0,1,0,0|2,0,0]=3 5469 B15R1.241 CCCCOCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011995733 [0,0,0,1,0,0|3,0,0]=4 5470 B15R1.241 CCCCOCN1CCSCC1C(=O)O 269956a_100011346106_100011995733 [0,0,0,1,0,0|3,0,0]=4 5471 B15R1.241 CCCCOCN1CSCCC1C(=O)O 269956a_100015185162_100011995733 [0,0,0,1,0,0|3,0,0]=4 5472 B15R1.241 CCCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215938 [0,0,0,1,0,0|3,0,0]=4 5473 B15R1.241 CCCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215938 [0,0,0,1,0,0|3,0,0]=4 5474 B15R1.241 CCCOCCN1CCCCC1C(=O)N 34a_100000181395_100011215938 [0,0,0,1,0,0|3,0,0]=4 5475 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [0,0,0,1,0,0|2,0,0]=3 5476 B15R1.241 CCCOCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215938 [0,0,0,1,0,0|3,0,0]=4 5477 B15R1.241 CCCOCCN1CCSCC1C(=O)O 269956a_100011346106_100011215938 [0,0,0,1,0,0|3,0,0]=4 5478 B15R1.241 CCCOCCN1CSCCC1C(=O)O 269956a_100015185162_100011215938 [0,0,0,1,0,0|3,0,0]=4 5479 B15R1.241 CCOCCCN1CCCCC1C(=O)N 2230a_100000181395_100012232248 [0,0,0,1,0,0|3,0,0]=4 5480 B15R1.241 CCOCCCN1CCCCC1C(=O)N 269982a_100000181395_100012232248 [0,0,0,1,0,0|3,0,0]=4 5481 B15R1.241 CCOCCCN1CCCCC1C(=O)N 34a_100000181395_100012232248 [0,0,0,1,0,0|3,0,0]=4 5482 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [0,0,0,1,0,0|2,0,0]=3 5483 B15R1.241 CCOCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100012232248 [0,0,0,1,0,0|3,0,0]=4 5484 B15R1.241 CCOCCCN1CCSCC1C(=O)O 269956a_100011346106_100012232248 [0,0,0,1,0,0|3,0,0]=4 5485 B15R1.241 CCOCCCN1CSCCC1C(=O)O 269956a_100015185162_100012232248 [0,0,0,1,0,0|3,0,0]=4 5486 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [0,0,0,1,0,0|2,0,0]=3 5487 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [0,0,0,1,0,0|2,0,0]=3 5488 B15R1.241 COCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000730899 [0,0,0,1,0,0|3,0,0]=4 5489 B15R1.241 COCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000730899 [0,0,0,1,0,0|3,0,0]=4 5490 B15R1.241 COCCCCN1CCCCC1C(=O)N 34a_100000181395_100000755781 [0,0,0,1,0,0|3,0,0]=4 5491 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [0,0,0,1,0,0|2,0,0]=3 5492 B15R1.241 COCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000730899 [0,0,0,1,0,0|3,0,0]=4 5493 B15R1.241 COCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000730899 [0,0,0,1,0,0|3,0,0]=4 5494 B15R1.241 COCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000730899 [0,0,0,1,0,0|3,0,0]=4 5495 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [0,0,0,1,0,0|2,0,0]=3 5496 B15R1.241 COCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000231047 [0,0,0,1,0,0|3,0,0]=4 5497 B15R1.241 N#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011219923 [0,0,0,1,0,0|2,0,1]=4 5498 B15R1.241 N#CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000687738 [0,0,0,1,0,0|2,0,1]=4 5499 B15R1.241 NC(=O)C1CCCCN1CCCCCF 2230a_100000181395_100000729378 [0,0,0,1,0,0|3,0,0]=4 5500 B15R1.241 NC(=O)C1CCCCN1CCCCCF 269982a_100000181395_100000729378 [0,0,0,1,0,0|3,0,0]=4 5501 B15R1.241 NC(=O)C1CCCCN1CCCCCF 34a_100000181395_100000729378 [0,0,0,1,0,0|3,0,0]=4 5502 B15R1.241 NC(=O)C1CCCCN1CCCCCO 2230a_100000181395_100000746330 [0,0,0,1,0,0|3,0,0]=4 5503 B15R1.241 NC(=O)C1CCCCN1CCCCCO 269982a_100000181395_100000746330 [0,0,0,1,0,0|3,0,0]=4 5504 B15R1.241 NC(=O)C1CCCCN1CCCCCO 34a_100000181395_100000746330 [0,0,0,1,0,0|3,0,0]=4 5505 B15R1.241 O=C(O)C1CCSCN1CCCCCF 269956a_100015185162_100000729378 [0,0,0,1,0,0|3,0,0]=4 5506 B15R1.241 O=C(O)C1CCSCN1CCCCCO 269956a_100015185162_100000746330 [0,0,0,1,0,0|3,0,0]=4 5507 B15R1.241 O=C(O)C1CSCCN1CCCCCF 269956a_100011346106_100000729378 [0,0,0,1,0,0|3,0,0]=4 5508 B15R1.241 O=C(O)C1CSCCN1CCCCCO 269956a_100011346106_100000746330 [0,0,0,1,0,0|3,0,0]=4 5509 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [0,0,0,1,0,0|2,0,0]=3 5510 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [0,0,0,1,0,0|2,0,0]=3 5511 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [0,0,0,1,0,0|2,0,0]=3 5512 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [0,0,0,1,0,0|2,0,0]=3 5513 B15R1.241 O=C(O)[C@H]1CCCCN1CCOCCO 269956a_100000763471_100011215305 [0,0,0,1,0,0|3,0,0]=4 5514 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCF 269956a_100016993156_100000729378 [0,0,0,1,0,0|3,0,0]=4 5515 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCO 269956a_100016993156_100000746330 [0,0,0,1,0,0|3,0,0]=4 5516 B15R1.241 O=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139335 [0,0,0,1,0,0|2,0,1]=4 5517 B15R1.241 O=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011292268 [0,0,0,1,0,0|2,0,1]=4 5518 B15R1.255 CC(=O)CCCCOCC1CCCN1C 34a_100000743107_100009817362 [0,0,0,1,0,0|3,0,0]=4 5519 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100000759063_100000005710 [0,0,0,1,0,0|3,0,0]=4 5520 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100011215177_100000685027 [0,0,0,1,0,0|3,0,0]=4 5521 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100000759063_100000005710 [0,0,0,1,0,0|3,0,0]=4 5522 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011215641 [0,0,0,1,0,0|3,0,0]=4 5523 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100000005710_100011215641 [0,0,0,1,0,0|3,0,0]=4 5524 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100011215641_100000005710 [0,0,0,1,0,0|3,0,0]=4 5525 B15R1.255 CC(=O)NCCCCNC1CCCC1C 269862a_200011368371_100000752053 [0,0,0,1,0,0|3,0,0]=4 5526 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009813381 [0,0,0,1,0,0|3,0,0]=4 5527 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033007 [0,0,0,1,0,0|3,0,0]=4 5528 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 2230a_100015189458_100009813381 [0,0,0,1,0,0|3,0,0]=4 5529 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 269982a_100015189458_100000033007 [0,0,0,1,0,0|3,0,0]=4 5530 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 34a_100015189458_100000033007 [0,0,0,1,0,0|3,0,0]=4 5531 B15R1.255 CC(=O)OCCCCOC1CCCC1C 34a_100011216460_100000033659 [0,0,0,1,0,0|3,0,0]=4 5532 B15R1.255 CC(=O)OCCCCOC1CCCC1C 7a_100011216460_100000033659 [0,0,0,1,0,0|3,0,0]=4 5533 B15R1.255 CC(=O)SCCCCOC1CCCC1C 34a_100011216460_200010402107 [0,0,0,1,0,0|3,0,0]=4 5534 B15R1.255 CC(=O)SCCCCOC1CCCC1C 7a_100011216460_200010402107 [0,0,0,1,0,0|3,0,0]=4 5535 B15R1.255 CC1CCCC1OCCCCCB(O)O 34a_100011216460_200009817188 [0,0,0,1,0,0|2,0,1]=4 5536 B15R1.255 CC1CCCC1OCCCCCB(O)O 7a_100011216460_200009817188 [0,0,0,1,0,0|2,0,1]=4 5537 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,0,0,1,0,0|2,0,0]=3 5538 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,0,0,1,0,0|2,0,0]=3 5539 B15R1.255 CN1CCCC1CCNCCCC(=O)N 34a_100000739312_100000005710 [0,0,0,1,0,0|3,0,0]=4 5540 B15R1.255 CN1CCCC1CCOCCCC(=O)N 34a_100011215177_100102525003 [0,0,0,1,0,0|3,0,0]=4 5541 B15R1.255 CN1CCCC1CCOCCCC(=O)N 7a_100011215177_100102525003 [0,0,0,1,0,0|3,0,0]=4 5542 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100000005710_100102525003 [0,0,0,1,0,0|3,0,0]=4 5543 B15R1.255 CN1CCCC1CCSCCCC(=O)N 62a_100102525003_100000005710 [0,0,0,1,0,0|3,0,0]=4 5544 B15R1.255 C[C@@H]1CCCN1CCCCCCB(O)O 2230a_100015189458_100009817187 [0,0,0,1,0,0|2,0,1]=4 5545 B15R1.255 C[C@@H]1CCCN1CCCCCCB(O)O 269982a_100015189458_100009817187 [0,0,0,1,0,0|2,0,1]=4 5546 B15R1.255 C[C@@H]1CCCN1CCCCCCB(O)O 34a_100015189458_100009817187 [0,0,0,1,0,0|2,0,1]=4 5547 B15R1.255 C[C@@H]1CNC[C@@H]1OCCCCCC(=O)N 34a_200015306588_100009817443 [0,0,0,1,0,0|3,0,0]=4 5548 B15R1.255 C[C@H]1CCCN1CCCCCCB(O)O 2230a_100020605311_100009817187 [0,0,0,1,0,0|2,0,1]=4 5549 B15R1.255 C[C@H]1CCCN1CCCCCCB(O)O 269982a_100020605311_100009817187 [0,0,0,1,0,0|2,0,1]=4 5550 B15R1.255 NC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817443 [0,0,0,1,0,0|3,0,0]=4 5551 B15R1.255 NC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817443 [0,0,0,1,0,0|3,0,0]=4 5552 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009817443_200016002552 [0,0,0,1,0,0|3,0,0]=4 5553 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817443 [0,0,0,1,0,0|3,0,0]=4 5554 B15R1.270 COCC1CCN1CCCCCC(=O)N 2230a_100015195929_100009817443 [0,0,0,1,0,0|3,0,0]=4 5555 B15R1.270 COCC1CCN1CCCCCC(=O)N 269982a_100015195929_100009817443 [0,0,0,1,0,0|3,0,0]=4 5556 B15R1.270 COCC1CCN1CCCCCC(=O)N 34a_100015195929_100009817443 [0,0,0,1,0,0|3,0,0]=4 5557 B15R1.361 CC(=O)OCCCCCOCC1CC1C 34a_100000744939_100000033007 [0,0,0,1,0,0|3,0,0]=4 5558 B15R1.361 CC(=O)OCCCCCOCC1CC1C 7a_100000744939_100000033007 [0,0,0,1,0,0|3,0,0]=4 5559 B15R1.361 CC1CC1COCCCCCCB(O)O 34a_100000744939_100009817187 [0,0,0,1,0,0|2,0,1]=4 5560 B15R1.361 CC1CC1COCCCCCCB(O)O 7a_100000744939_100009817187 [0,0,0,1,0,0|2,0,1]=4 5561 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,0,0,1,0,0|2,0,0]=3 5562 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,0,0,1,0,0|2,0,0]=3 5563 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,0,0,1,0,0|2,0,0]=3 5564 B15R1.489 CC(=O)CCCCOCCC1CCNC1 34a_100016987287_100009817362 [0,0,0,1,0,0|3,0,0]=4 5565 B15R1.489 CC(=O)CCCCOCCC1CCOC1 34a_100011879284_100009817362 [0,0,0,1,0,0|3,0,0]=4 5566 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,0,0,1,0,0|2,0,0]=3 5567 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,0,0,1,0,0|2,0,0]=3 5568 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000735457 [0,0,0,1,0,0|3,0,0]=4 5569 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000735457_100000004467 [0,0,0,1,0,0|3,0,0]=4 5570 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,0,0,1,0,0|2,0,0]=3 5571 B15R1.489 CC(=O)CCCNCCOC1CCCC1 34a_100000741755_100000685027 [0,0,0,1,0,0|3,0,0]=4 5572 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,0,0,1,0,0|2,0,0]=3 5573 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,0,0,1,0,0|2,0,0]=3 5574 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,0,0,1,0,0|2,0,0]=3 5575 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,0,0,1,0,0|2,0,0]=3 5576 B15R1.489 CC(=O)CCCOCCCN1CCCC1 34a_100000759063_100016991639 [0,0,0,1,0,0|3,0,0]=4 5577 B15R1.489 CC(=O)CCCOCCCN1CCCC1 7a_100000759063_100011445909 [0,0,0,1,0,0|3,0,0]=4 5578 B15R1.489 CC(=O)CCCOCCNC1CCCC1 34a_200000200444_100000685027 [0,0,0,1,0,0|3,0,0]=4 5579 B15R1.489 CC(=O)CCCOCCOC1CCCC1 34a_100000738311_100000685027 [0,0,0,1,0,0|3,0,0]=4 5580 B15R1.489 CC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011215641 [0,0,0,1,0,0|3,0,0]=4 5581 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,0,0,1,0,0|2,0,0]=3 5582 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,0,0,1,0,0|2,0,0]=3 5583 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100011215641_100011445909 [0,0,0,1,0,0|3,0,0]=4 5584 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100016991639_100011215641 [0,0,0,1,0,0|3,0,0]=4 5585 B15R1.489 CC(=O)NCCCCCNC1CCCC1 2230a_200012022750_100000179811 [0,0,0,1,0,0|3,0,0]=4 5586 B15R1.489 CC(=O)NCCCCCNC1CCCC1 270004a_200012022750_100000210133 [0,0,0,1,0,0|3,0,0]=4 5587 B15R1.489 CC(=O)NCCCCCNC1CCCC1 34a_200012022750_100000179811 [0,0,0,1,0,0|3,0,0]=4 5588 B15R1.489 CC(=O)NCCCCNCC1CCCC1 2230a_200011368371_100000740388 [0,0,0,1,0,0|3,0,0]=4 5589 B15R1.489 CC(=O)NCCCCNCC1CCCC1 269862a_200011368371_100000746403 [0,0,0,1,0,0|3,0,0]=4 5590 B15R1.489 CC(=O)NCCCCNCC1CCCC1 34a_200011368371_100000740388 [0,0,0,1,0,0|3,0,0]=4 5591 B15R1.489 CC(=O)NCCCNCCC1CCCC1 34a_100000736810_100000760354 [0,0,0,1,0,0|3,0,0]=4 5592 B15R1.489 CC(=O)NCCCOCCC1CCCC1 34a_100000752032_100000760354 [0,0,0,1,0,0|3,0,0]=4 5593 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000209853_100011713738 [0,0,0,1,0,0|3,0,0]=4 5594 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000736752_100000189650 [0,0,0,1,0,0|3,0,0]=4 5595 B15R1.489 CC(=O)NCCOCCCC1CCCC1 34a_100000158858_100011713738 [0,0,0,1,0,0|3,0,0]=4 5596 B15R1.489 CC(=O)NCCOCCCC1CCCC1 7a_100011215328_100000189650 [0,0,0,1,0,0|3,0,0]=4 5597 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100000189650_100011713738 [0,0,0,1,0,0|3,0,0]=4 5598 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100011713738_100000189650 [0,0,0,1,0,0|3,0,0]=4 5599 B15R1.489 CC(=O)OCCCCCNC1CCCC1 2230a_100000211070_100009813381 [0,0,0,1,0,0|3,0,0]=4 5600 B15R1.489 CC(=O)OCCCCCNC1CCCC1 34a_100000211070_100000033007 [0,0,0,1,0,0|3,0,0]=4 5601 B15R1.489 CC(=O)OCCCCCOC1CCCC1 34a_100000210269_100000033007 [0,0,0,1,0,0|3,0,0]=4 5602 B15R1.489 CC(=O)OCCCCCOC1CCCC1 7a_100000210269_100000033007 [0,0,0,1,0,0|3,0,0]=4 5603 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100000033007_100000179811 [0,0,0,1,0,0|3,0,0]=4 5604 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100011217020_100000033007 [0,0,0,1,0,0|3,0,0]=4 5605 B15R1.489 CC(=O)OCCCCNCC1CCCC1 34a_100000737975_100000033659 [0,0,0,1,0,0|3,0,0]=4 5606 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000073216_100000740388 [0,0,0,1,0,0|3,0,0]=4 5607 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000742336_100000033659 [0,0,0,1,0,0|3,0,0]=4 5608 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000073216_100000740388 [0,0,0,1,0,0|3,0,0]=4 5609 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000742336_100000033659 [0,0,0,1,0,0|3,0,0]=4 5610 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000033659_100000740388 [0,0,0,1,0,0|3,0,0]=4 5611 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000740388_100000033659 [0,0,0,1,0,0|3,0,0]=4 5612 B15R1.489 CC(=O)OCCCNCCC1CCCC1 34a_100000739158_100000042594 [0,0,0,1,0,0|3,0,0]=4 5613 B15R1.489 CC(=O)OCCCOCCC1CCCC1 34a_100000749090_100000042594 [0,0,0,1,0,0|3,0,0]=4 5614 B15R1.489 CC(=O)OCCCOCCC1CCCC1 7a_100000749090_100000042594 [0,0,0,1,0,0|3,0,0]=4 5615 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000042594_100000760354 [0,0,0,1,0,0|3,0,0]=4 5616 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000760354_100000042594 [0,0,0,1,0,0|3,0,0]=4 5617 B15R1.489 CC(=O)OCCNCCCC1CCCC1 34a_100000736752_100009814007 [0,0,0,1,0,0|3,0,0]=4 5618 B15R1.489 CC(=O)OCCOCCCC1CCCC1 34a_100011215328_100009814007 [0,0,0,1,0,0|3,0,0]=4 5619 B15R1.489 CC(=O)OCCOCCCC1CCCC1 7a_100011215328_100009814007 [0,0,0,1,0,0|3,0,0]=4 5620 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100009814007_100011713738 [0,0,0,1,0,0|3,0,0]=4 5621 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100011713738_100009814007 [0,0,0,1,0,0|3,0,0]=4 5622 B15R1.489 CC(=O)SCCCCNCC1CCCC1 2230a_100000737975_200010402107 [0,0,0,1,0,0|3,0,0]=4 5623 B15R1.489 CC(=O)SCCCCNCC1CCCC1 34a_100000737975_200010402107 [0,0,0,1,0,0|3,0,0]=4 5624 B15R1.489 CC(=O)SCCCCOCC1CCCC1 34a_100000742336_200010402107 [0,0,0,1,0,0|3,0,0]=4 5625 B15R1.489 CC(=O)SCCCCOCC1CCCC1 7a_100000742336_200010402107 [0,0,0,1,0,0|3,0,0]=4 5626 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_100000740388_200010402107 [0,0,0,1,0,0|3,0,0]=4 5627 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_200010402107_100000740388 [0,0,0,1,0,0|3,0,0]=4 5628 B15R1.489 CC(=O)SCCCNCCC1CCCC1 2230a_100000739158_100000038929 [0,0,0,1,0,0|3,0,0]=4 5629 B15R1.489 CC(=O)SCCCNCCC1CCCC1 34a_100000739158_100000038929 [0,0,0,1,0,0|3,0,0]=4 5630 B15R1.489 CC(=O)SCCCOCCC1CCCC1 34a_100000749090_100000038929 [0,0,0,1,0,0|3,0,0]=4 5631 B15R1.489 CC(=O)SCCCOCCC1CCCC1 7a_100000749090_100000038929 [0,0,0,1,0,0|3,0,0]=4 5632 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000038929_100000760354 [0,0,0,1,0,0|3,0,0]=4 5633 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000760354_100000038929 [0,0,0,1,0,0|3,0,0]=4 5634 B15R1.489 CC(O)CCCNCCCC1CCCC1 2230a_100000736752_200000718107 [0,0,0,1,0,0|2,0,1]=4 5635 B15R1.489 CC(O)CCCNCCCC1CCCC1 34a_100000736752_200000718107 [0,0,0,1,0,0|2,0,1]=4 5636 B15R1.489 CC(O)CCCOCCCC1CCCC1 34a_100011215328_200000718107 [0,0,0,1,0,0|2,0,1]=4 5637 B15R1.489 CC(O)CCCOCCCC1CCCC1 7a_100011215328_200000718107 [0,0,0,1,0,0|2,0,1]=4 5638 B15R1.489 CC(O)CCCSCCCC1CCCC1 62a_100011713738_200000718107 [0,0,0,1,0,0|2,0,1]=4 5639 B15R1.489 CC(O)CCCSCCCC1CCCC1 62a_200000718107_100011713738 [0,0,0,1,0,0|2,0,1]=4 5640 B15R1.489 CS(=O)CCCNCCCC1CCCC1 2230a_200000753449_100011713738 [0,0,0,1,0,0|3,0,0]=4 5641 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,0,0,1,0,0|2,0,0]=3 5642 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,0,0,1,0,0|2,0,0]=3 5643 B15R1.489 NC(=O)CCCCCNCC1CCOC1 2230a_100000737293_100009817443 [0,0,0,1,0,0|3,0,0]=4 5644 B15R1.489 NC(=O)CCCCCNCC1CCOC1 34a_100000737293_100009817443 [0,0,0,1,0,0|3,0,0]=4 5645 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817443 [0,0,0,1,0,0|3,0,0]=4 5646 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817443 [0,0,0,1,0,0|3,0,0]=4 5647 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,0,0,1,0,0|2,0,0]=3 5648 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,0,0,1,0,0|2,0,0]=3 5649 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,0,0,1,0,0|2,0,0]=3 5650 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,0,0,1,0,0|2,0,0]=3 5651 B15R1.489 NC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009817443 [0,0,0,1,0,0|3,0,0]=4 5652 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000123541_100000203698 [0,0,0,1,0,0|3,0,0]=4 5653 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009817443 [0,0,0,1,0,0|3,0,0]=4 5654 B15R1.489 NC(=O)CCCCCOCC1CCNC1 34a_100000748654_100009817443 [0,0,0,1,0,0|3,0,0]=4 5655 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000123541_100011261433 [0,0,0,1,0,0|3,0,0]=4 5656 B15R1.489 NC(=O)CCCCCOCC1CCOC1 34a_100000740260_100009817443 [0,0,0,1,0,0|3,0,0]=4 5657 B15R1.489 NC(=O)CCCCCOCC1CCOC1 7a_100000123541_100000702531 [0,0,0,1,0,0|3,0,0]=4 5658 B15R1.489 NC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 5659 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,0,0,1,0,0|2,0,0]=3 5660 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,0,0,1,0,0|2,0,0]=3 5661 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009817443 [0,0,0,1,0,0|3,0,0]=4 5662 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100009817443_100000203698 [0,0,0,1,0,0|3,0,0]=4 5663 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100000702531_100009817443 [0,0,0,1,0,0|3,0,0]=4 5664 B15R1.489 NC(=O)CCCCCSCC1CCOC1 62a_100009817443_100000702531 [0,0,0,1,0,0|3,0,0]=4 5665 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,0,0,1,0,0|2,0,0]=3 5666 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,0,0,1,0,0|2,0,0]=3 5667 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,0,0,1,0,0|2,0,0]=3 5668 B15R1.489 NC(=O)CCCCOCCN1CCCC1 7a_100012022536_100000004467 [0,0,0,1,0,0|3,0,0]=4 5669 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,0,0,1,0,0|2,0,0]=3 5670 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,0,0,1,0,0|2,0,0]=3 5671 B15R1.489 NC(=O)CCCNCCCN1CCCC1 34a_100000739312_100016991639 [0,0,0,1,0,0|3,0,0]=4 5672 B15R1.489 NC(=O)CCCNCCOC1CCCC1 34a_100000741755_100102525003 [0,0,0,1,0,0|3,0,0]=4 5673 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,0,0,1,0,0|2,0,0]=3 5674 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,0,0,1,0,0|2,0,0]=3 5675 B15R1.489 NC(=O)CCCOCCNC1CCCC1 34a_200000200444_100102525003 [0,0,0,1,0,0|3,0,0]=4 5676 B15R1.489 NC(=O)CCCOCCOC1CCCC1 34a_100000738311_100102525003 [0,0,0,1,0,0|3,0,0]=4 5677 B15R1.489 NC(=O)CCCOCCOC1CCCC1 7a_100000738311_100102525003 [0,0,0,1,0,0|3,0,0]=4 5678 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,0,0,1,0,0|2,0,0]=3 5679 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,0,0,1,0,0|2,0,0]=3 5680 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100016991639_100102525003 [0,0,0,1,0,0|3,0,0]=4 5681 B15R1.489 NC(=O)CCCSCCCN1CCCC1 62a_100102525003_100011445909 [0,0,0,1,0,0|3,0,0]=4 5682 B15R1.489 NC(=O)CCNCCCOC1CCCC1 34a_100000747560_100000731001 [0,0,0,1,0,0|3,0,0]=4 5683 B15R1.489 NC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000076697 [0,0,0,1,0,0|3,0,0]=4 5684 B15R1.489 NC(=O)COCCNCCC1CCCC1 34a_100000739158_100000076697 [0,0,0,1,0,0|3,0,0]=4 5685 B15R1.489 NC(=O)COCCOCCC1CCCC1 34a_100000749090_100000076697 [0,0,0,1,0,0|3,0,0]=4 5686 B15R1.489 NC(=O)COCCOCCC1CCCC1 7a_100000749090_100000076697 [0,0,0,1,0,0|3,0,0]=4 5687 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000076697_100000760354 [0,0,0,1,0,0|3,0,0]=4 5688 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000760354_100000076697 [0,0,0,1,0,0|3,0,0]=4 5689 B15R1.489 NC(=O)NCCNCCCC1CCCC1 2230a_100000736752_200000034859 [0,0,0,1,0,0|3,0,0]=4 5690 B15R1.489 NC(=O)NCCNCCCC1CCCC1 34a_100020590234_100011713738 [0,0,0,1,0,0|3,0,0]=4 5691 B15R1.489 NC(=O)NCCOCCCC1CCCC1 34a_100000181757_100011713738 [0,0,0,1,0,0|3,0,0]=4 5692 B15R1.489 NC(=O)NCCOCCCC1CCCC1 7a_100011215328_200000034859 [0,0,0,1,0,0|3,0,0]=4 5693 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_100011713738_200000034859 [0,0,0,1,0,0|3,0,0]=4 5694 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_200000034859_100011713738 [0,0,0,1,0,0|3,0,0]=4 5695 B15R1.489 NC(=O)OCCNCCCC1CCCC1 34a_100000736752_200011214921 [0,0,0,1,0,0|3,0,0]=4 5696 B15R1.489 NC(=O)OCCOCCCC1CCCC1 34a_100011215328_200011214921 [0,0,0,1,0,0|3,0,0]=4 5697 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100000766696_100011713738 [0,0,0,1,0,0|3,0,0]=4 5698 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100011215328_200011214921 [0,0,0,1,0,0|3,0,0]=4 5699 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_100011713738_200011214921 [0,0,0,1,0,0|3,0,0]=4 5700 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_200011214921_100011713738 [0,0,0,1,0,0|3,0,0]=4 5701 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,0,0,1,0,0|2,0,0]=3 5702 B15R1.489 O=C(O)COCCNCCN1CCCC1 269956a_100000700818_100000004467 [0,0,0,1,0,0|3,0,0]=4 5703 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,0,0,1,0,0|1,0,1]=3 5704 B15R1.489 O=C([O-])CCCCCOCC1CCCO1 7a_100102619762_100000203698 [0,0,0,1,0,0|2,0,1]=4 5705 B15R1.489 O=C([O-])CCCCCOCC1CCOC1 7a_100102619762_100000702531 [0,0,0,1,0,0|2,0,1]=4 5706 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 34a_200015379883_100000760354 [0,0,0,1,0,0|2,0,1]=4 5707 B15R1.489 O=[N+]([O-])CCCCOCCC1CCCC1 7a_200015379883_100000760354 [0,0,0,1,0,0|2,0,1]=4 5708 B15R1.489 O=[N+]([O-])CCCOCCCC1CCCC1 34a_200000037920_100011713738 [0,0,0,1,0,0|2,0,1]=4 5709 B15R1.489 OB(O)CCCCCCNC1CCCC1 2230a_100000211070_100009817187 [0,0,0,1,0,0|2,0,1]=4 5710 B15R1.489 OB(O)CCCCCCNC1CCCC1 34a_100000211070_100009817187 [0,0,0,1,0,0|2,0,1]=4 5711 B15R1.489 OB(O)CCCCCCOC1CCCC1 34a_100000210269_100009817187 [0,0,0,1,0,0|2,0,1]=4 5712 B15R1.489 OB(O)CCCCCCOC1CCCC1 7a_100000210269_100009817187 [0,0,0,1,0,0|2,0,1]=4 5713 B15R1.489 OB(O)CCCCCCSC1CCCC1 62a_100009817187_100000179811 [0,0,0,1,0,0|2,0,1]=4 5714 B15R1.489 OB(O)CCCCCCSC1CCCC1 62a_100011217020_100009817187 [0,0,0,1,0,0|2,0,1]=4 5715 B15R1.489 OB(O)CCCCCNCC1CCCC1 2230a_100000737975_200009817188 [0,0,0,1,0,0|2,0,1]=4 5716 B15R1.489 OB(O)CCCCCNCC1CCCC1 34a_100000737975_200009817188 [0,0,0,1,0,0|2,0,1]=4 5717 B15R1.489 OB(O)CCCCCOCC1CCCC1 34a_100000742336_200009817188 [0,0,0,1,0,0|2,0,1]=4 5718 B15R1.489 OB(O)CCCCCOCC1CCCC1 7a_100000742336_200009817188 [0,0,0,1,0,0|2,0,1]=4 5719 B15R1.489 OB(O)CCCCCSCC1CCCC1 62a_100000740388_200009817188 [0,0,0,1,0,0|2,0,1]=4 5720 B15R1.489 OB(O)CCCCCSCC1CCCC1 62a_200009817188_100000740388 [0,0,0,1,0,0|2,0,1]=4 5721 B15R1.489 OB(O)CCCCNCCC1CCCC1 2230a_100000739158_200009817182 [0,0,0,1,0,0|2,0,1]=4 5722 B15R1.489 OB(O)CCCCNCCC1CCCC1 34a_100000739158_200009817182 [0,0,0,1,0,0|2,0,1]=4 5723 B15R1.489 OB(O)CCCCOCCC1CCCC1 34a_100000749090_200009817182 [0,0,0,1,0,0|2,0,1]=4 5724 B15R1.489 OB(O)CCCCOCCC1CCCC1 7a_100000749090_200009817182 [0,0,0,1,0,0|2,0,1]=4 5725 B15R1.489 OB(O)CCCCSCCC1CCCC1 62a_100000760354_200009817182 [0,0,0,1,0,0|2,0,1]=4 5726 B15R1.489 OB(O)CCCCSCCC1CCCC1 62a_200009817182_100000760354 [0,0,0,1,0,0|2,0,1]=4 5727 B15R1.504 C=C(Br)CCOCCCC1CCCCC1 34a_100009813270_100011713725 [0,0,0,1,0,0|3,0,0]=4 5728 B15R1.504 C=C(C)CCNCCCC1CCCCC1 2230a_100011211642_100000730704 [0,0,0,1,0,0|3,0,0]=4 5729 B15R1.504 C=C(C)CCNCCCC1CCCCC1 34a_100011211642_100000730704 [0,0,0,1,0,0|3,0,0]=4 5730 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000198086_100000730704 [0,0,0,1,0,0|3,0,0]=4 5731 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000764851_100011713725 [0,0,0,1,0,0|3,0,0]=4 5732 B15R1.504 C=C(C)CCOCCCC1CCCCC1 7a_100000198086_100000730704 [0,0,0,1,0,0|3,0,0]=4 5733 B15R1.504 C=C(C)COCCCCC1CCCCC1 34a_100011215267_100000748629 [0,0,0,1,0,0|3,0,0]=4 5734 B15R1.504 C=C(C)COCCCCC1CCCCC1 7a_100011215267_100000748629 [0,0,0,1,0,0|3,0,0]=4 5735 B15R1.504 C=C(F)COCCCCC1CCCCC1 34a_100011215267_100009893438 [0,0,0,1,0,0|3,0,0]=4 5736 B15R1.504 C=C(F)COCCCCC1CCCCC1 7a_100011215267_100000042424 [0,0,0,1,0,0|3,0,0]=4 5737 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,0,0,1,0,0|2,0,0]=3 5738 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,0,0,1,0,0|3,0,0]=4 5739 B15R1.504 CC(=O)CCCCNCC1CCCOC1 34a_100000720124_100009817362 [0,0,0,1,0,0|3,0,0]=4 5740 B15R1.504 CC(=O)CCCCNCC1CCOCC1 34a_100000746373_100009817362 [0,0,0,1,0,0|3,0,0]=4 5741 B15R1.504 CC(=O)CCCCNCC1CCSCC1 34a_100015188806_100009817362 [0,0,0,1,0,0|3,0,0]=4 5742 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,0,0,1,0,0|2,0,0]=3 5743 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,0,0,1,0,0|2,0,0]=3 5744 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,0,0,1,0,0|3,0,0]=4 5745 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,0,0,1,0,0|3,0,0]=4 5746 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,0,0,1,0,0|3,0,0]=4 5747 B15R1.504 CC(=O)CCCCOCC1CCCNC1 34a_100000211344_100009817362 [0,0,0,1,0,0|3,0,0]=4 5748 B15R1.504 CC(=O)CCCCOCC1CCCOC1 34a_100000741520_100009817362 [0,0,0,1,0,0|3,0,0]=4 5749 B15R1.504 CC(=O)CCCCOCC1CCNCC1 34a_100000738675_100009817362 [0,0,0,1,0,0|3,0,0]=4 5750 B15R1.504 CC(=O)CCCCOCC1CCOCC1 34a_100000749013_100009817362 [0,0,0,1,0,0|3,0,0]=4 5751 B15R1.504 CC(=O)CCCCOCC1CCSCC1 34a_100000070558_100009817362 [0,0,0,1,0,0|3,0,0]=4 5752 B15R1.504 CC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000735457 [0,0,0,1,0,0|3,0,0]=4 5753 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,0,0,1,0,0|2,0,0]=3 5754 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,0,0,1,0,0|2,0,0]=3 5755 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,0,0,1,0,0|3,0,0]=4 5756 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,0,0,1,0,0|3,0,0]=4 5757 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000735457_100000741521 [0,0,0,1,0,0|3,0,0]=4 5758 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000735457 [0,0,0,1,0,0|3,0,0]=4 5759 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000735457_100000749018 [0,0,0,1,0,0|3,0,0]=4 5760 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000735457 [0,0,0,1,0,0|3,0,0]=4 5761 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,0,0,1,0,0|2,0,0]=3 5762 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,0,0,1,0,0|3,0,0]=4 5763 B15R1.504 CC(=O)CCCNCCC1CCOCC1 34a_100000755988_100000685027 [0,0,0,1,0,0|3,0,0]=4 5764 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,0,0,1,0,0|2,0,0]=3 5765 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,0,0,1,0,0|2,0,0]=3 5766 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,0,0,1,0,0|2,0,0]=3 5767 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,0,0,1,0,0|2,0,0]=3 5768 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,0,0,1,0,0|3,0,0]=4 5769 B15R1.504 CC(=O)CCCOCCC1CCCNC1 34a_100000752241_100000685027 [0,0,0,1,0,0|3,0,0]=4 5770 B15R1.504 CC(=O)CCCOCCC1CCNCC1 34a_100015190746_100000685027 [0,0,0,1,0,0|3,0,0]=4 5771 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100000759063_100011934994 [0,0,0,1,0,0|3,0,0]=4 5772 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100011933979_100000685027 [0,0,0,1,0,0|3,0,0]=4 5773 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100000759063_100011934994 [0,0,0,1,0,0|3,0,0]=4 5774 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011215641 [0,0,0,1,0,0|3,0,0]=4 5775 B15R1.504 CC(=O)CCCOCCN1CCCCC1 34a_100000759063_100000739454 [0,0,0,1,0,0|3,0,0]=4 5776 B15R1.504 CC(=O)CCCOCCN1CCCCC1 7a_100000759063_100000739454 [0,0,0,1,0,0|3,0,0]=4 5777 B15R1.504 CC(=O)CCCOCOC1CCCCC1 34a_100000759063_100011935260 [0,0,0,1,0,0|3,0,0]=4 5778 B15R1.504 CC(=O)CCCOCOC1CCCCC1 7a_100000759063_100011935260 [0,0,0,1,0,0|3,0,0]=4 5779 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,0,0,1,0,0|2,0,0]=3 5780 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,0,0,1,0,0|2,0,0]=3 5781 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011215641_100011934994 [0,0,0,1,0,0|3,0,0]=4 5782 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011934994_100011215641 [0,0,0,1,0,0|3,0,0]=4 5783 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100000739454_100011215641 [0,0,0,1,0,0|3,0,0]=4 5784 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100011215641_100000739454 [0,0,0,1,0,0|3,0,0]=4 5785 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011215641_100011935260 [0,0,0,1,0,0|3,0,0]=4 5786 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011935260_100011215641 [0,0,0,1,0,0|3,0,0]=4 5787 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,0,0,1,0,0|2,0,0]=3 5788 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,0,0,1,0,0|2,0,0]=3 5789 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,0,0,1,0,0|2,0,0]=3 5790 B15R1.504 CC(=O)CCOCCCN1CCCCC1 34a_100000759926_100000690320 [0,0,0,1,0,0|3,0,0]=4 5791 B15R1.504 CC(=O)CCOCCCN1CCCCC1 7a_100000759926_100000007876 [0,0,0,1,0,0|3,0,0]=4 5792 B15R1.504 CC(=O)CCOCCOC1CCCCC1 34a_100000759926_100011211530 [0,0,0,1,0,0|3,0,0]=4 5793 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100000759926_100011211530 [0,0,0,1,0,0|3,0,0]=4 5794 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000053229 [0,0,0,1,0,0|3,0,0]=4 5795 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,0,0,1,0,0|2,0,0]=3 5796 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,0,0,1,0,0|2,0,0]=3 5797 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100000053229_100000007876 [0,0,0,1,0,0|3,0,0]=4 5798 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000053229 [0,0,0,1,0,0|3,0,0]=4 5799 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100000053229_100011211530 [0,0,0,1,0,0|3,0,0]=4 5800 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000053229 [0,0,0,1,0,0|3,0,0]=4 5801 B15R1.504 CC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100015343762 [0,0,0,1,0,0|3,0,0]=4 5802 B15R1.504 CC(=O)NCCCCCN1CCCCC1 527a_100000754421_100103153847 [0,0,0,1,0,0|3,0,0]=4 5803 B15R1.504 CC(=O)NCCCCNC1CCCCC1 270004a_200011368371_100000210434 [0,0,0,1,0,0|3,0,0]=4 5804 B15R1.504 CC(=O)NCCCCNC1CCCCC1 34a_200011368371_100000210327 [0,0,0,1,0,0|3,0,0]=4 5805 B15R1.504 CC(=O)NCCCNCC1CCCCC1 269862a_100000736810_100000211278 [0,0,0,1,0,0|3,0,0]=4 5806 B15R1.504 CC(=O)NCCCNCC1CCCCC1 34a_100000736810_100000211423 [0,0,0,1,0,0|3,0,0]=4 5807 B15R1.504 CC(=O)NCCCOCC1CCCCC1 34a_100000752032_100000211423 [0,0,0,1,0,0|3,0,0]=4 5808 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000209853_100012355289 [0,0,0,1,0,0|3,0,0]=4 5809 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000738074_100000189650 [0,0,0,1,0,0|3,0,0]=4 5810 B15R1.504 CC(=O)NCCOCCC1CCCCC1 34a_100000158858_100011209188 [0,0,0,1,0,0|3,0,0]=4 5811 B15R1.504 CC(=O)NCCOCCC1CCCCC1 7a_100011217863_100000189650 [0,0,0,1,0,0|3,0,0]=4 5812 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100000189650_100012355289 [0,0,0,1,0,0|3,0,0]=4 5813 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100012355289_100000189650 [0,0,0,1,0,0|3,0,0]=4 5814 B15R1.504 CC(=O)OCCCCNC1CCCCC1 34a_100000182618_100000033659 [0,0,0,1,0,0|3,0,0]=4 5815 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000073216_100000210327 [0,0,0,1,0,0|3,0,0]=4 5816 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000210231_100000033659 [0,0,0,1,0,0|3,0,0]=4 5817 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000073216_100000210327 [0,0,0,1,0,0|3,0,0]=4 5818 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000210231_100000033659 [0,0,0,1,0,0|3,0,0]=4 5819 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000033659_100000210327 [0,0,0,1,0,0|3,0,0]=4 5820 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000210327_100000033659 [0,0,0,1,0,0|3,0,0]=4 5821 B15R1.504 CC(=O)OCCCNCC1CCCCC1 34a_100000210473_100000042594 [0,0,0,1,0,0|3,0,0]=4 5822 B15R1.504 CC(=O)OCCCOCC1CCCCC1 34a_100000212181_100000042594 [0,0,0,1,0,0|3,0,0]=4 5823 B15R1.504 CC(=O)OCCCOCC1CCCCC1 7a_100000212181_100000042594 [0,0,0,1,0,0|3,0,0]=4 5824 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000042594_100000211423 [0,0,0,1,0,0|3,0,0]=4 5825 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000211423_100000042594 [0,0,0,1,0,0|3,0,0]=4 5826 B15R1.504 CC(=O)OCCNCCC1CCCCC1 34a_100000738074_100009814007 [0,0,0,1,0,0|3,0,0]=4 5827 B15R1.504 CC(=O)OCCOCCC1CCCCC1 34a_100011217863_100009814007 [0,0,0,1,0,0|3,0,0]=4 5828 B15R1.504 CC(=O)OCCOCCC1CCCCC1 7a_100011217863_100009814007 [0,0,0,1,0,0|3,0,0]=4 5829 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100009814007_100012355289 [0,0,0,1,0,0|3,0,0]=4 5830 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100012355289_100009814007 [0,0,0,1,0,0|3,0,0]=4 5831 B15R1.504 CC(=O)OCNCCCC1CCCCC1 34a_100011211642_100009813279 [0,0,0,1,0,0|3,0,0]=4 5832 B15R1.504 CC(=O)OCOCCCC1CCCCC1 34a_100000198086_100009813279 [0,0,0,1,0,0|3,0,0]=4 5833 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100000076356_100011713725 [0,0,0,1,0,0|3,0,0]=4 5834 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000076356 [0,0,0,1,0,0|3,0,0]=4 5835 B15R1.504 CC(=O)SCCCCNC1CCCCC1 2230a_100000182618_200010402107 [0,0,0,1,0,0|3,0,0]=4 5836 B15R1.504 CC(=O)SCCCCNC1CCCCC1 34a_100000182618_200010402107 [0,0,0,1,0,0|3,0,0]=4 5837 B15R1.504 CC(=O)SCCCCOC1CCCCC1 34a_100000210231_200010402107 [0,0,0,1,0,0|3,0,0]=4 5838 B15R1.504 CC(=O)SCCCCOC1CCCCC1 7a_100000210231_200010402107 [0,0,0,1,0,0|3,0,0]=4 5839 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_100000210327_200010402107 [0,0,0,1,0,0|3,0,0]=4 5840 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_200010402107_100000210327 [0,0,0,1,0,0|3,0,0]=4 5841 B15R1.504 CC(=O)SCCCNCC1CCCCC1 2230a_100000210473_100000038929 [0,0,0,1,0,0|3,0,0]=4 5842 B15R1.504 CC(=O)SCCCNCC1CCCCC1 34a_100000210473_100000038929 [0,0,0,1,0,0|3,0,0]=4 5843 B15R1.504 CC(=O)SCCCOCC1CCCCC1 34a_100000212181_100000038929 [0,0,0,1,0,0|3,0,0]=4 5844 B15R1.504 CC(=O)SCCCOCC1CCCCC1 7a_100000212181_100000038929 [0,0,0,1,0,0|3,0,0]=4 5845 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000038929_100000211423 [0,0,0,1,0,0|3,0,0]=4 5846 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000211423_100000038929 [0,0,0,1,0,0|3,0,0]=4 5847 B15R1.504 CC(O)CCCNCCC1CCCCC1 2230a_100000738074_200000718107 [0,0,0,1,0,0|2,0,1]=4 5848 B15R1.504 CC(O)CCCNCCC1CCCCC1 34a_100000738074_200000718107 [0,0,0,1,0,0|2,0,1]=4 5849 B15R1.504 CC(O)CCCOCCC1CCCCC1 34a_100011217863_200000718107 [0,0,0,1,0,0|2,0,1]=4 5850 B15R1.504 CC(O)CCCOCCC1CCCCC1 7a_100011217863_200000718107 [0,0,0,1,0,0|2,0,1]=4 5851 B15R1.504 CC(O)CCCSCCC1CCCCC1 62a_100012355289_200000718107 [0,0,0,1,0,0|2,0,1]=4 5852 B15R1.504 CC(O)CCCSCCC1CCCCC1 62a_200000718107_100012355289 [0,0,0,1,0,0|2,0,1]=4 5853 B15R1.504 CC(O)CCNCCCC1CCCCC1 2230a_100011211642_100012276601 [0,0,0,1,0,0|2,0,1]=4 5854 B15R1.504 CC(O)CCNCCCC1CCCCC1 2230a_200000755665_100011713725 [0,0,0,1,0,0|2,0,1]=4 5855 B15R1.504 CC(O)CCNCCCC1CCCCC1 34a_100011211642_100012276601 [0,0,0,1,0,0|2,0,1]=4 5856 B15R1.504 CC(O)CCOCCCC1CCCCC1 34a_100000198086_100012276601 [0,0,0,1,0,0|2,0,1]=4 5857 B15R1.504 CC(O)CCOCCCC1CCCCC1 7a_100000198086_100012276601 [0,0,0,1,0,0|2,0,1]=4 5858 B15R1.504 CC(O)CCSCCCC1CCCCC1 62a_100011713725_100012276601 [0,0,0,1,0,0|2,0,1]=4 5859 B15R1.504 CC(O)CCSCCCC1CCCCC1 62a_100012276601_100011713725 [0,0,0,1,0,0|2,0,1]=4 5860 B15R1.504 CC(O)COCCCCC1CCCCC1 34a_100011215267_100011218427 [0,0,0,1,0,0|2,0,1]=4 5861 B15R1.504 CC(O)COCCCCC1CCCCC1 7a_100011215267_100011218427 [0,0,0,1,0,0|2,0,1]=4 5862 B15R1.504 CS(=O)CCCNCCC1CCCCC1 2230a_200000753449_100012355289 [0,0,0,1,0,0|3,0,0]=4 5863 B15R1.504 CS(=O)CCCNCCC1CCCCC1 270004a_200000753449_100011713444 [0,0,0,1,0,0|3,0,0]=4 5864 B15R1.504 C[C@@H](O)COCCCCC1CCCCC1 34a_100011215267_100009817552 [0,0,0,1,0,0|2,0,1]=4 5865 B15R1.504 C[C@@H](O)COCCCCC1CCCCC1 7a_100011215267_100009817552 [0,0,0,1,0,0|2,0,1]=4 5866 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,0,0,1,0,0|2,0,0]=3 5867 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,0,0,1,0,0|2,0,0]=3 5868 B15R1.504 NC(=O)CCCCCNC1CCCOC1 2230a_100000719290_100009817443 [0,0,0,1,0,0|3,0,0]=4 5869 B15R1.504 NC(=O)CCCCCNC1CCCOC1 34a_100000719290_100009817443 [0,0,0,1,0,0|3,0,0]=4 5870 B15R1.504 NC(=O)CCCCCNC1CCOCC1 2230a_100000741149_100009817443 [0,0,0,1,0,0|3,0,0]=4 5871 B15R1.504 NC(=O)CCCCCNC1CCOCC1 34a_100000741149_100009817443 [0,0,0,1,0,0|3,0,0]=4 5872 B15R1.504 NC(=O)CCCCCNC1CCSCC1 2230a_100000748639_100009817443 [0,0,0,1,0,0|3,0,0]=4 5873 B15R1.504 NC(=O)CCCCCNC1CCSCC1 34a_100000748639_100009817443 [0,0,0,1,0,0|3,0,0]=4 5874 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,0,0,1,0,0|2,0,0]=3 5875 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,0,0,1,0,0|2,0,0]=3 5876 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,0,0,1,0,0|2,0,0]=3 5877 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,0,0,1,0,0|2,0,0]=3 5878 B15R1.504 NC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009817443 [0,0,0,1,0,0|3,0,0]=4 5879 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000123541_100000693364 [0,0,0,1,0,0|3,0,0]=4 5880 B15R1.504 NC(=O)CCCCCOC1CCCOC1 34a_100000754041_100009817443 [0,0,0,1,0,0|3,0,0]=4 5881 B15R1.504 NC(=O)CCCCCOC1CCCOC1 7a_100000123541_100000693364 [0,0,0,1,0,0|3,0,0]=4 5882 B15R1.504 NC(=O)CCCCCOC1CCCSC1 7a_100015962668_100009817443 [0,0,0,1,0,0|3,0,0]=4 5883 B15R1.504 NC(=O)CCCCCOC1CCOCC1 34a_100000744328_100009817443 [0,0,0,1,0,0|3,0,0]=4 5884 B15R1.504 NC(=O)CCCCCOC1CCOCC1 7a_100000123541_100000686592 [0,0,0,1,0,0|3,0,0]=4 5885 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000123541_100000069128 [0,0,0,1,0,0|3,0,0]=4 5886 B15R1.504 NC(=O)CCCCCOC1CCSCC1 34a_100000731022_100009817443 [0,0,0,1,0,0|3,0,0]=4 5887 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000123541_100011500858 [0,0,0,1,0,0|3,0,0]=4 5888 B15R1.504 NC(=O)CCCCCOC1CCSCC1 7a_100000731022_100009817443 [0,0,0,1,0,0|3,0,0]=4 5889 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,0,0,1,0,0|2,0,0]=3 5890 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,0,0,1,0,0|2,0,0]=3 5891 B15R1.504 NC(=O)CCCCCSC1CCCOC1 62a_100009817443_100000693364 [0,0,0,1,0,0|3,0,0]=4 5892 B15R1.504 NC(=O)CCCCCSC1CCOCC1 62a_100009817443_100011324220 [0,0,0,1,0,0|3,0,0]=4 5893 B15R1.504 NC(=O)CCCCCSC1CCSCC1 62a_100009817443_100000069128 [0,0,0,1,0,0|3,0,0]=4 5894 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,0,0,1,0,0|2,0,0]=3 5895 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,0,0,1,0,0|2,0,0]=3 5896 B15R1.504 NC(=O)CCCCNCC1CCCCO1 34a_100000696515_100000211543 [0,0,0,1,0,0|3,0,0]=4 5897 B15R1.504 NC(=O)CCCCNCC1CCCOC1 34a_100000696515_100000741521 [0,0,0,1,0,0|3,0,0]=4 5898 B15R1.504 NC(=O)CCCCNCC1CCOCC1 269862a_100000696515_100000749017 [0,0,0,1,0,0|3,0,0]=4 5899 B15R1.504 NC(=O)CCCCNCC1CCOCC1 34a_100000696515_100000754603 [0,0,0,1,0,0|3,0,0]=4 5900 B15R1.504 NC(=O)CCCCNCC1CCSCC1 269862a_100000696515_100000067145 [0,0,0,1,0,0|3,0,0]=4 5901 B15R1.504 NC(=O)CCCCNCC1CCSCC1 270004a_100000696515_100000067145 [0,0,0,1,0,0|3,0,0]=4 5902 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,0,0,1,0,0|2,0,0]=3 5903 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,0,0,1,0,0|2,0,0]=3 5904 B15R1.504 NC(=O)CCCCOCC1CCCCO1 34a_100012022536_100000211543 [0,0,0,1,0,0|3,0,0]=4 5905 B15R1.504 NC(=O)CCCCOCC1CCCCO1 7a_100012022536_100000211543 [0,0,0,1,0,0|3,0,0]=4 5906 B15R1.504 NC(=O)CCCCOCC1CCCOC1 34a_100012022536_100000741521 [0,0,0,1,0,0|3,0,0]=4 5907 B15R1.504 NC(=O)CCCCOCC1CCCOC1 7a_100012022536_100000741521 [0,0,0,1,0,0|3,0,0]=4 5908 B15R1.504 NC(=O)CCCCOCC1CCOCC1 34a_100012022536_100000754603 [0,0,0,1,0,0|3,0,0]=4 5909 B15R1.504 NC(=O)CCCCOCC1CCOCC1 7a_100012022536_100000754603 [0,0,0,1,0,0|3,0,0]=4 5910 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,0,0,1,0,0|2,0,0]=3 5911 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,0,0,1,0,0|2,0,0]=3 5912 B15R1.504 NC(=O)CCCNCCC1CCCCO1 34a_100015183643_100102525003 [0,0,0,1,0,0|3,0,0]=4 5913 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000739312_100011934994 [0,0,0,1,0,0|3,0,0]=4 5914 B15R1.504 NC(=O)CCCNCCC1CCOCC1 34a_100000755988_100102525003 [0,0,0,1,0,0|3,0,0]=4 5915 B15R1.504 NC(=O)CCCNCCN1CCCCC1 34a_100000739312_100000739454 [0,0,0,1,0,0|3,0,0]=4 5916 B15R1.504 NC(=O)CCCNCOC1CCCCC1 34a_100000739312_100011935260 [0,0,0,1,0,0|3,0,0]=4 5917 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,0,0,1,0,0|2,0,0]=3 5918 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,0,0,1,0,0|2,0,0]=3 5919 B15R1.504 NC(=O)CCCOCCC1CCCCN1 34a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 5920 B15R1.504 NC(=O)CCCOCCC1CCCNC1 34a_100000752241_100102525003 [0,0,0,1,0,0|3,0,0]=4 5921 B15R1.504 NC(=O)CCCOCCC1CCNCC1 34a_100015190746_100102525003 [0,0,0,1,0,0|3,0,0]=4 5922 B15R1.504 NC(=O)CCCOCCC1CCOCC1 34a_100011933979_100102525003 [0,0,0,1,0,0|3,0,0]=4 5923 B15R1.504 NC(=O)CCCOCCC1CCOCC1 7a_100011933979_100102525003 [0,0,0,1,0,0|3,0,0]=4 5924 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,0,0,1,0,0|2,0,0]=3 5925 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,0,0,1,0,0|2,0,0]=3 5926 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100011934994_100102525003 [0,0,0,1,0,0|3,0,0]=4 5927 B15R1.504 NC(=O)CCCSCCC1CCOCC1 62a_100102525003_100011934994 [0,0,0,1,0,0|3,0,0]=4 5928 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100000739454_100102525003 [0,0,0,1,0,0|3,0,0]=4 5929 B15R1.504 NC(=O)CCCSCCN1CCCCC1 62a_100102525003_100000739454 [0,0,0,1,0,0|3,0,0]=4 5930 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100011935260_100102525003 [0,0,0,1,0,0|3,0,0]=4 5931 B15R1.504 NC(=O)CCCSCOC1CCCCC1 62a_100102525003_100011935260 [0,0,0,1,0,0|3,0,0]=4 5932 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,0,0,1,0,0|2,0,0]=3 5933 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,0,0,1,0,0|2,0,0]=3 5934 B15R1.504 NC(=O)CCNCCOC1CCCCC1 34a_100015206981_100000731001 [0,0,0,1,0,0|3,0,0]=4 5935 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,0,0,1,0,0|2,0,0]=3 5936 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,0,0,1,0,0|2,0,0]=3 5937 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,0,0,1,0,0|2,0,0]=3 5938 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,0,0,1,0,0|2,0,0]=3 5939 B15R1.504 NC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000731001 [0,0,0,1,0,0|3,0,0]=4 5940 B15R1.504 NC(=O)CCOCCCC1CCCNC1 34a_100150707839_100000731001 [0,0,0,1,0,0|3,0,0]=4 5941 B15R1.504 NC(=O)CCOCCCC1CCNCC1 34a_100016988962_100000731001 [0,0,0,1,0,0|3,0,0]=4 5942 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000212458_100000731001 [0,0,0,1,0,0|3,0,0]=4 5943 B15R1.504 NC(=O)CCOCCCN1CCCCC1 34a_100000757172_100000690320 [0,0,0,1,0,0|3,0,0]=4 5944 B15R1.504 NC(=O)CCOCCCN1CCCCC1 7a_100000757172_100000007876 [0,0,0,1,0,0|3,0,0]=4 5945 B15R1.504 NC(=O)CCOCCNC1CCCCC1 34a_100000200466_100000731001 [0,0,0,1,0,0|3,0,0]=4 5946 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100000757172_100011211530 [0,0,0,1,0,0|3,0,0]=4 5947 B15R1.504 NC(=O)CCOCCOC1CCCCC1 34a_100011249652_100000731001 [0,0,0,1,0,0|3,0,0]=4 5948 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100000757172_100011211530 [0,0,0,1,0,0|3,0,0]=4 5949 B15R1.504 NC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000744528 [0,0,0,1,0,0|3,0,0]=4 5950 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,0,0,1,0,0|2,0,0]=3 5951 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,0,0,1,0,0|2,0,0]=3 5952 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100000744528_100000007876 [0,0,0,1,0,0|3,0,0]=4 5953 B15R1.504 NC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000744528 [0,0,0,1,0,0|3,0,0]=4 5954 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100000744528_100011211530 [0,0,0,1,0,0|3,0,0]=4 5955 B15R1.504 NC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000744528 [0,0,0,1,0,0|3,0,0]=4 5956 B15R1.504 NC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000187820 [0,0,0,1,0,0|3,0,0]=4 5957 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,0,0,1,0,0|2,0,0]=3 5958 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,0,0,1,0,0|2,0,0]=3 5959 B15R1.504 NC(=O)COCCCCC1CCNCC1 34a_100016989291_100000187820 [0,0,0,1,0,0|3,0,0]=4 5960 B15R1.504 NC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000076697 [0,0,0,1,0,0|3,0,0]=4 5961 B15R1.504 NC(=O)COCCNCC1CCCCC1 34a_100000210473_100000076697 [0,0,0,1,0,0|3,0,0]=4 5962 B15R1.504 NC(=O)COCCOCC1CCCCC1 34a_100000212181_100000076697 [0,0,0,1,0,0|3,0,0]=4 5963 B15R1.504 NC(=O)COCCOCC1CCCCC1 7a_100000212181_100000076697 [0,0,0,1,0,0|3,0,0]=4 5964 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000076697_100000211423 [0,0,0,1,0,0|3,0,0]=4 5965 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000211423_100000076697 [0,0,0,1,0,0|3,0,0]=4 5966 B15R1.504 NC(=O)NCCNCCC1CCCCC1 2230a_100000738074_200000034859 [0,0,0,1,0,0|3,0,0]=4 5967 B15R1.504 NC(=O)NCCNCCC1CCCCC1 34a_100020590234_100011209188 [0,0,0,1,0,0|3,0,0]=4 5968 B15R1.504 NC(=O)NCCOCCC1CCCCC1 34a_100000181757_100011209188 [0,0,0,1,0,0|3,0,0]=4 5969 B15R1.504 NC(=O)NCCOCCC1CCCCC1 7a_100011217863_200000034859 [0,0,0,1,0,0|3,0,0]=4 5970 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_100012355289_200000034859 [0,0,0,1,0,0|3,0,0]=4 5971 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_200000034859_100012355289 [0,0,0,1,0,0|3,0,0]=4 5972 B15R1.504 NC(=O)OCCNCCC1CCCCC1 34a_100000738074_200011214921 [0,0,0,1,0,0|3,0,0]=4 5973 B15R1.504 NC(=O)OCCOCCC1CCCCC1 34a_100011217863_200011214921 [0,0,0,1,0,0|3,0,0]=4 5974 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100000766696_100011273959 [0,0,0,1,0,0|3,0,0]=4 5975 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100011217863_200011214921 [0,0,0,1,0,0|3,0,0]=4 5976 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_100012355289_200011214921 [0,0,0,1,0,0|3,0,0]=4 5977 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_200011214921_100012355289 [0,0,0,1,0,0|3,0,0]=4 5978 B15R1.504 O=C(O)CNCCCOC1CCCCO1 269956a_100016091260_100000700653 [0,0,0,1,0,0|3,0,0]=4 5979 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,0,0,1,0,0|2,0,0]=3 5980 B15R1.504 O=C(O)COCCNCC1CCCCO1 269956a_100000700818_100000211543 [0,0,0,1,0,0|3,0,0]=4 5981 B15R1.504 O=C(O)COCCNCC1CCCOC1 269956a_100000700818_100000741521 [0,0,0,1,0,0|3,0,0]=4 5982 B15R1.504 O=C(O)COCCNCC1CCOCC1 269956a_100000700818_100000754603 [0,0,0,1,0,0|3,0,0]=4 5983 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,0,0,1,0,0|2,0,0]=3 5984 B15R1.504 O=C(O)CONCCCN1CCCCC1 269956a_100000106656_100000007876 [0,0,0,1,0,0|3,0,0]=4 5985 B15R1.504 O=C(O)CONCCOC1CCCCC1 269956a_100000106656_100011211530 [0,0,0,1,0,0|3,0,0]=4 5986 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,0,0,1,0,0|1,0,1]=3 5987 B15R1.504 O=C([O-])CCCCCOC1CCCOC1 7a_100102619762_100000693364 [0,0,0,1,0,0|2,0,1]=4 5988 B15R1.504 O=C([O-])CCCCCOC1CCOCC1 7a_100102619762_100000686592 [0,0,0,1,0,0|2,0,1]=4 5989 B15R1.504 O=C([O-])CCCCCOC1CCSCC1 7a_100102619762_100011500858 [0,0,0,1,0,0|2,0,1]=4 5990 B15R1.504 O=C([O-])CNCCCOC1CCCCC1 34a_100000205933_100020667443 [0,0,0,1,0,0|2,0,1]=4 5991 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,0,0,1,0,0|1,0,1]=3 5992 B15R1.504 O=C([O-])COCCCCC1CCNCC1 34a_100016989291_100020667443 [0,0,0,1,0,0|2,0,1]=4 5993 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 34a_200015379883_100000211423 [0,0,0,1,0,0|2,0,1]=4 5994 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCC1 7a_200015379883_100000211423 [0,0,0,1,0,0|2,0,1]=4 5995 B15R1.504 O=[N+]([O-])CCCOCCC1CCCCC1 34a_200000037920_100011209188 [0,0,0,1,0,0|2,0,1]=4 5996 B15R1.504 O=[N+]([O-])COCCCCC1CCCCC1 34a_100011215267_100000761209 [0,0,0,1,0,0|2,0,1]=4 5997 B15R1.504 OB(O)CCCCCNC1CCCCC1 2230a_100000182618_200009817188 [0,0,0,1,0,0|2,0,1]=4 5998 B15R1.504 OB(O)CCCCCNC1CCCCC1 34a_100000182618_200009817188 [0,0,0,1,0,0|2,0,1]=4 5999 B15R1.504 OB(O)CCCCCOC1CCCCC1 34a_100000210231_200009817188 [0,0,0,1,0,0|2,0,1]=4 6000 B15R1.504 OB(O)CCCCCOC1CCCCC1 7a_100000210231_200009817188 [0,0,0,1,0,0|2,0,1]=4 6001 B15R1.504 OB(O)CCCCCSC1CCCCC1 62a_100000210327_200009817188 [0,0,0,1,0,0|2,0,1]=4 6002 B15R1.504 OB(O)CCCCCSC1CCCCC1 62a_200009817188_100000210327 [0,0,0,1,0,0|2,0,1]=4 6003 B15R1.504 OB(O)CCCCNCC1CCCCC1 2230a_100000210473_200009817182 [0,0,0,1,0,0|2,0,1]=4 6004 B15R1.504 OB(O)CCCCNCC1CCCCC1 34a_100000210473_200009817182 [0,0,0,1,0,0|2,0,1]=4 6005 B15R1.504 OB(O)CCCCOCC1CCCCC1 34a_100000212181_200009817182 [0,0,0,1,0,0|2,0,1]=4 6006 B15R1.504 OB(O)CCCCOCC1CCCCC1 7a_100000212181_200009817182 [0,0,0,1,0,0|2,0,1]=4 6007 B15R1.504 OB(O)CCCCSCC1CCCCC1 62a_100000211423_200009817182 [0,0,0,1,0,0|2,0,1]=4 6008 B15R1.504 OB(O)CCCCSCC1CCCCC1 62a_200009817182_100000211423 [0,0,0,1,0,0|2,0,1]=4 6009 B15R1.589 C=C(C)CCOC1CCCCC1CCC 34a_100011217265_100000730704 [0,0,0,1,0,0|3,0,0]=4 6010 B15R1.589 C=C(C)CCOC1CCCCC1CCC 7a_100011217265_100000730704 [0,0,0,1,0,0|3,0,0]=4 6011 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,0,0,1,0,0|3,0,0]=4 6012 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,0,0,1,0,0|3,0,0]=4 6013 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,0,0,1,0,0|2,0,0]=3 6014 B15R1.589 CCCC1CCCCC1NCCC(C)O 269862a_200000755665_100011218038 [0,0,0,1,0,0|2,0,1]=4 6015 B15R1.589 CCCC1CCCCC1NCCC(C)O 270004a_200000755665_100011218038 [0,0,0,1,0,0|2,0,1]=4 6016 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,0,0,1,0,0|2,0,0]=3 6017 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,0,0,1,0,0|2,0,0]=3 6018 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,0,0,1,0,0|2,0,0]=3 6019 B15R1.589 CCCC1CCCCC1OCCC(C)O 34a_100011217265_100012276601 [0,0,0,1,0,0|2,0,1]=4 6020 B15R1.589 CCCC1CCCCC1OCCC(C)O 7a_100011217265_100012276601 [0,0,0,1,0,0|2,0,1]=4 6021 B15R1.589 CCCC1CCCCC1OCOC(=O)C 34a_100011217265_100009813279 [0,0,0,1,0,0|3,0,0]=4 6022 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,0,0,1,0,0|2,0,0]=3 6023 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,0,0,1,0,0|2,0,0]=3 6024 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,0,0,1,0,0|2,0,0]=3 6025 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,0,0,1,0,0|2,0,0]=3 6026 B15R1.589 CCCC1CCCCN1CCCC(C)O 2230a_100000701414_200000718107 [0,0,0,1,0,0|2,0,1]=4 6027 B15R1.589 CCCC1CCCCN1CCCC(C)O 269982a_100000701414_200000718107 [0,0,0,1,0,0|2,0,1]=4 6028 B15R1.589 CCCC1CCCCN1CCCC(C)O 34a_100000701414_200000718107 [0,0,0,1,0,0|2,0,1]=4 6029 B15R1.589 CCCC1CCCCN1CCNC(=O)C 2230a_100000701414_100000189650 [0,0,0,1,0,0|3,0,0]=4 6030 B15R1.589 CCCC1CCCCN1CCNC(=O)C 269982a_100000701414_100000189650 [0,0,0,1,0,0|3,0,0]=4 6031 B15R1.589 CCCC1CCCCN1CCNC(=O)N 2230a_100000701414_200000034859 [0,0,0,1,0,0|3,0,0]=4 6032 B15R1.589 CCCC1CCCCN1CCNC(=O)N 269982a_100000701414_200000034859 [0,0,0,1,0,0|3,0,0]=4 6033 B15R1.589 CCCC1CCCCN1CCOC(=O)C 269982a_100000701414_100009814007 [0,0,0,1,0,0|3,0,0]=4 6034 B15R1.589 CCCC1CCCCN1CCOC(=O)C 34a_100000701414_100009814007 [0,0,0,1,0,0|3,0,0]=4 6035 B15R1.589 CCCC1CCCCN1CCOC(=O)N 269982a_100000701414_200011214921 [0,0,0,1,0,0|3,0,0]=4 6036 B15R1.589 CCCC1CCCCN1CCOC(=O)N 34a_100000701414_200011214921 [0,0,0,1,0,0|3,0,0]=4 6037 B15R1.589 CCCC1COCCN1CCCC(=O)C 269982a_102495339903_100011215641 [0,0,0,1,0,0|3,0,0]=4 6038 B15R1.589 CCCC1COCCN1CCCC(=O)C 34a_102495339903_100000685027 [0,0,0,1,0,0|3,0,0]=4 6039 B15R1.589 CCCC1COCCN1CCCC(=O)N 269982a_102495339903_100102525003 [0,0,0,1,0,0|3,0,0]=4 6040 B15R1.589 CCCC1COCCN1CCCC(=O)N 34a_102495339903_100102525003 [0,0,0,1,0,0|3,0,0]=4 6041 B15R1.589 CCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210303 [0,0,0,1,0,0|3,0,0]=4 6042 B15R1.589 CCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210303 [0,0,0,1,0,0|3,0,0]=4 6043 B15R1.589 CCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210303 [0,0,0,1,0,0|3,0,0]=4 6044 B15R1.589 COCC1CCCCN1CCCC(=O)C 269982a_100015184032_100011215641 [0,0,0,1,0,0|3,0,0]=4 6045 B15R1.589 COCC1CCCCN1CCCC(=O)C 34a_100015184032_100000685027 [0,0,0,1,0,0|3,0,0]=4 6046 B15R1.589 COCC1CCCCN1CCCC(=O)N 269982a_100015184032_100102525003 [0,0,0,1,0,0|3,0,0]=4 6047 B15R1.589 COCC1CCCCN1CCCC(=O)N 34a_100015184032_100102525003 [0,0,0,1,0,0|3,0,0]=4 6048 B15R1.589 NC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 6049 B15R1.589 NC(=O)CCCN1CCCCC1CCO 34a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 6050 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,0,0,1,0,0|2,0,0]=3 6051 B15R1.604 CCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000723119 [0,0,0,1,0,0|3,0,0]=4 6052 B15R1.604 CCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000723119 [0,0,0,1,0,0|3,0,0]=4 6053 B15R1.604 CCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000723119 [0,0,0,1,0,0|3,0,0]=4 6054 B15R1.604 CCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000723119 [0,0,0,1,0,0|3,0,0]=4 6055 B15R1.604 CCCN1CCCC1COCCC(=O)C 7a_200000694710_100000053229 [0,0,0,1,0,0|3,0,0]=4 6056 B15R1.604 CCCN1CCCC1COCCC(=O)N 34a_200000694710_100000731001 [0,0,0,1,0,0|3,0,0]=4 6057 B15R1.604 CCCN1CCCC1COCCC(=O)N 7a_200000694710_100000744528 [0,0,0,1,0,0|3,0,0]=4 6058 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 269982a_100020646714_100000735457 [0,0,0,1,0,0|3,0,0]=4 6059 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 34a_100020646714_100009817362 [0,0,0,1,0,0|3,0,0]=4 6060 B15R1.1051 C#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000688953 [0,0,0,1,0,0|1,0,2]=4 6061 B15R1.1051 C/C=C/CN1CCCCC1CCC(=O)O 269956a_100000694054_100102629194 [0,0,0,1,0,0|1,0,2]=4 6062 B15R1.1051 C=CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000754431 [0,0,0,1,0,0|1,0,2]=4 6063 B15R1.1051 CC#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000748600 [0,0,0,1,0,0|1,0,2]=4 6064 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,0,0,1,0,0|3,0,0]=4 6065 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,0,0,1,0,0|1,0,0]=2 6066 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [0,0,0,1,0,0|2,0,0]=3 6067 B15R1.1051 COCCC1CCCCN1CCC(=O)C 269982a_100015186528_100000053229 [0,0,0,1,0,0|3,0,0]=4 6068 B15R1.1051 COCCC1CCCCN1CCC(=O)N 2230a_100015186528_100000744528 [0,0,0,1,0,0|3,0,0]=4 6069 B15R1.1051 COCCC1CCCCN1CCC(=O)N 269982a_100015186528_100000744528 [0,0,0,1,0,0|3,0,0]=4 6070 B15R1.1051 COCCC1CCCCN1CCC(=O)N 34a_100015186528_100000731001 [0,0,0,1,0,0|3,0,0]=4 6071 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [0,0,0,1,0,0|2,0,0]=3 6072 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [0,0,0,1,0,0|2,0,0]=3 6073 B15R1.1051 N#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215226 [0,0,0,1,0,0|2,0,1]=4 6074 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000744528 [0,0,0,1,0,0|3,0,0]=4 6075 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000744528 [0,0,0,1,0,0|3,0,0]=4 6076 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000731001 [0,0,0,1,0,0|3,0,0]=4 6077 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [0,0,0,1,0,0|2,0,0]=3 6078 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [0,0,0,1,0,0|2,0,0]=3 6079 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,0,0,1,0,0|2,0,0]=3 6080 B15R1.1068 CCCCC1CCCC1NCCC(C)O 269862a_200000755665_100000750825 [0,0,0,1,0,0|2,0,1]=4 6081 B15R1.1068 CCCCC1CCCC1NCCC(C)O 270004a_200000755665_100000750825 [0,0,0,1,0,0|2,0,1]=4 6082 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 2230a_100102567296_100000210759 [0,0,0,1,0,0|3,0,0]=4 6083 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 34a_100102567296_100000210759 [0,0,0,1,0,0|3,0,0]=4 6084 B15R1.1168 C=C1CC(C1)COCCCCCCCC 34a_100011011225_100000210759 [0,0,0,1,0,0|3,0,0]=4 6085 B15R1.1168 C=C1CC(C1)NCCCCCCCCC 2230a_100132301982_100011214924 [0,0,0,1,0,0|3,0,0]=4 6086 B15R1.1168 CCCCCCCCCCN1CC(C1)O 269982a_100000749847_100000210320 [0,0,0,1,0,0|2,0,1]=4 6087 B15R1.1168 CCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011214924 [0,0,0,1,0,0|2,0,1]=4 6088 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,0,0,1,0,0|2,0,0]=3 6089 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,0,0,1,0,0|2,0,0]=3 6090 B15R1.1168 CCCCCCCCNCC1CC(C1)O 2230a_100016992100_100000210759 [0,0,0,1,0,0|2,0,1]=4 6091 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,0,0,1,0,0|2,0,0]=3 6092 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,0,0,1,0,0|2,0,0]=3 6093 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,0,0,1,0,0|2,0,0]=3 6094 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,0,0,1,0,0|2,0,0]=3 6095 B15R1.1168 CCCCCOCCOCC1CC(=O)C1 7a_100011215259_100009874392 [0,0,0,1,0,0|3,0,0]=4 6096 B15R1.1168 CCCCOCCCNCC1CC(=O)C1 2230a_200000211371_100009874392 [0,0,0,1,0,0|3,0,0]=4 6097 B15R1.1168 CCCCOCCCOCC1CC(=O)C1 7a_200011215613_100009874392 [0,0,0,1,0,0|3,0,0]=4 6098 B15R1.1168 COCCCCCCOCC1CC(=O)C1 34a_100000101936_100011998445 [0,0,0,1,0,0|3,0,0]=4 6099 B15R1.1168 COCCCCCCOCC1CC(=O)C1 7a_200012092642_100009874392 [0,0,0,1,0,0|3,0,0]=4 6100 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100009874392_100011998445 [0,0,0,1,0,0|3,0,0]=4 6101 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100011998445_100009874392 [0,0,0,1,0,0|3,0,0]=4 6102 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,0,0,1,0,0|3,0,0]=4 6103 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,0,0,1,0,0|3,0,0]=4 6104 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,0,0,1,0,0|3,0,0]=4 6105 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,0,0,1,0,0|3,0,0]=4 6106 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,0,0,1,0,0|3,0,0]=4 6107 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,0,0,1,0,0|3,0,0]=4 6108 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,0,0,1,0,0|2,0,0]=3 6109 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,0,0,1,0,0|2,0,0]=3 6110 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,0,0,1,0,0|2,0,0]=3 6111 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100011215890 [0,0,0,1,0,0|3,0,0]=4 6112 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100011215890 [0,0,0,1,0,0|3,0,0]=4 6113 B15R1.1188 CCOCCN1CCCCC1CC(=O)N 34a_100015184752_100000210147 [0,0,0,1,0,0|3,0,0]=4 6114 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000757381 [0,0,0,1,0,0|3,0,0]=4 6115 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000757381 [0,0,0,1,0,0|3,0,0]=4 6116 B15R1.1188 CCSCCN1CCCCC1CC(=O)N 34a_100015184752_100000757381 [0,0,0,1,0,0|3,0,0]=4 6117 B15R1.1188 COCCCC1CCCCN1CC(=O)N 2230a_100011804088_100000747473 [0,0,0,1,0,0|3,0,0]=4 6118 B15R1.1188 COCCCC1CCCCN1CC(=O)N 269982a_100011804088_100000187820 [0,0,0,1,0,0|3,0,0]=4 6119 B15R1.1188 COCCCC1CCCCN1CC(=O)N 34a_100011804088_100000187820 [0,0,0,1,0,0|3,0,0]=4 6120 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 269982a_100011804088_100020667443 [0,0,0,1,0,0|2,0,1]=4 6121 B15R1.1188 COCCCC1CCCCN1CC(=O)[O-] 34a_100011804088_100020667443 [0,0,0,1,0,0|2,0,1]=4 6122 B15R1.1188 COCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000740836 [0,0,0,1,0,0|3,0,0]=4 6123 B15R1.1188 COCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000740836 [0,0,0,1,0,0|3,0,0]=4 6124 B15R1.1188 COCCCN1CCCCC1CC(=O)N 34a_100015184752_100000740836 [0,0,0,1,0,0|3,0,0]=4 6125 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 2230a_100015184752_100000729493 [0,0,0,1,0,0|3,0,0]=4 6126 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 269982a_100015184752_100000729493 [0,0,0,1,0,0|3,0,0]=4 6127 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 34a_100015184752_100000729493 [0,0,0,1,0,0|3,0,0]=4 6128 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 2230a_100015184752_100000210776 [0,0,0,1,0,0|3,0,0]=4 6129 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 269982a_100015184752_100000210776 [0,0,0,1,0,0|3,0,0]=4 6130 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 34a_100015184752_100011216708 [0,0,0,1,0,0|3,0,0]=4 6131 B15R1.1201 CCCCCC1CCCC1NCC(C)O 269862a_100000210904_200000198059 [0,0,0,1,0,0|2,0,1]=4 6132 B15R1.1201 CCCCCC1CCCC1NCC(C)O 270004a_100000210904_200000198059 [0,0,0,1,0,0|2,0,1]=4 6133 B15R1.1949 CCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210681 [0,0,0,1,0,0|2,0,1]=4 6134 B15R1.1949 CCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210681 [0,0,0,1,0,0|2,0,1]=4 6135 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,0,0,1,0,0|3,0,0]=4 6136 B15R1.3525 C#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012094781 [0,0,0,1,0,0|1,0,2]=4 6137 B15R1.3525 C=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000700193 [0,0,0,1,0,0|1,0,2]=4 6138 B15R1.3525 CCCCCCCC1CCCC1N(C)C 270004a_100102631434_200011216720 [0,0,0,1,0,0|3,0,0]=4 6139 B15R1.3525 CCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210614 [0,0,0,1,0,0|1,0,2]=4 6140 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,0,0,1,0,0|2,0,0]=3 6141 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,0,0,1,0,0|1,0,0]=2 6142 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [0,0,0,1,0,0|2,0,0]=3 6143 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [0,0,0,1,0,0|2,0,0]=3 6144 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000718602 [0,0,0,1,0,0|3,0,0]=4 6145 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210326 [0,0,0,1,0,0|3,0,0]=4 6146 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000718602 [0,0,0,1,0,0|3,0,0]=4 6147 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210326 [0,0,0,1,0,0|3,0,0]=4 6148 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000743108 [0,0,0,1,0,0|3,0,0]=4 6149 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [0,0,0,1,0,0|2,0,0]=3 6150 B15R1.3525 CCCCOCCN1CCSC1C(=O)O 269956a_100000035718_100000743108 [0,0,0,1,0,0|3,0,0]=4 6151 B15R1.3525 CCCCOCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000743108 [0,0,0,1,0,0|3,0,0]=4 6152 B15R1.3525 COCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000695917 [0,0,0,1,0,0|3,0,0]=4 6153 B15R1.3525 N#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813376 [0,0,0,1,0,0|2,0,1]=4 6154 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000003125_100015922095 [0,0,0,1,0,0|3,0,0]=4 6155 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000003125_100000766143 [0,0,0,1,0,0|3,0,0]=4 6156 B15R1.3525 O=C(O)C1SCCN1CCCCCCF 269956a_100000035718_100015922095 [0,0,0,1,0,0|3,0,0]=4 6157 B15R1.3525 O=C(O)C1SCCN1CCCCCCO 269956a_100000035718_100000766143 [0,0,0,1,0,0|3,0,0]=4 6158 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [0,0,0,1,0,0|2,0,0]=3 6159 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [0,0,0,1,0,0|2,0,0]=3 6160 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCF 269956a_100000743924_100015922095 [0,0,0,1,0,0|3,0,0]=4 6161 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCO 269956a_100000743924_100000766143 [0,0,0,1,0,0|3,0,0]=4 6162 B15R1.3525 O=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139337 [0,0,0,1,0,0|2,0,1]=4 6163 B15R1.3745 C#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215417 [0,0,0,1,0,0|1,0,2]=4 6164 B15R1.3745 C=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011713584 [0,0,0,1,0,0|1,0,2]=4 6165 B15R1.3745 CC/C=C\CN1CCCCCC1C(=O)O 269956a_100000758484_100103147603 [0,0,0,1,0,0|1,0,2]=4 6166 B15R1.3745 CCC#CCN1CCCCCC1C(=O)O 269956a_100000758484_100009813939 [0,0,0,1,0,0|1,0,2]=4 6167 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,0,0,1,0,0|1,0,0]=2 6168 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [0,0,0,1,0,0|2,0,0]=3 6169 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [0,0,0,1,0,0|2,0,0]=3 6170 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [0,0,0,1,0,0|2,0,0]=3 6171 B15R1.3745 N#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000687738 [0,0,0,1,0,0|2,0,1]=4 6172 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [0,0,0,1,0,0|2,0,0]=3 6173 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [0,0,0,1,0,0|2,0,0]=3 6174 B15R1.3745 O=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_200011292268 [0,0,0,1,0,0|2,0,1]=4 6175 B15R1.5368 CCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210681 [0,0,0,1,0,0|2,0,1]=4 6176 B15R1.5368 CCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210614 [0,0,0,1,0,0|2,0,1]=4 6177 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 270004a_200011996284_100000241760 [0,0,0,1,0,0|3,0,0]=4 6178 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 34a_200011996284_100000749161 [0,0,0,1,0,0|3,0,0]=4 6179 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 2230a_200012022750_100000763275 [0,0,0,1,0,0|3,0,0]=4 6180 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 269862a_200012022750_100000753134 [0,0,0,1,0,0|3,0,0]=4 6181 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 34a_200012022750_100000763275 [0,0,0,1,0,0|3,0,0]=4 6182 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 2230a_100000738700_100009813381 [0,0,0,1,0,0|3,0,0]=4 6183 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 34a_100000738700_100000033007 [0,0,0,1,0,0|3,0,0]=4 6184 B15R1.8881 CC(=O)OCCCCCOCC1CCC1 34a_100000760304_100000033007 [0,0,0,1,0,0|3,0,0]=4 6185 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000033007_100000763275 [0,0,0,1,0,0|3,0,0]=4 6186 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000763275_100000033007 [0,0,0,1,0,0|3,0,0]=4 6187 B15R1.8881 CC(=O)SCCCCCCNC1CCC1 270004a_100000704104_100000241760 [0,0,0,1,0,0|3,0,0]=4 6188 B15R1.8881 NC(=O)CCCCCOCCC1COC1 34a_100009855314_100009817443 [0,0,0,1,0,0|3,0,0]=4 6189 B15R1.8881 O=C(O)COCCOCCNC1CCC1 269956a_100009854275_100000749161 [0,0,0,1,0,0|3,0,0]=4 6190 B15R1.8881 OB(O)CCCCCCNCC1CCC1 2230a_100000738700_100009817187 [0,0,0,1,0,0|2,0,1]=4 6191 B15R1.8881 OB(O)CCCCCCNCC1CCC1 34a_100000738700_100009817187 [0,0,0,1,0,0|2,0,1]=4 6192 B15R1.8881 OB(O)CCCCCCOCC1CCC1 34a_100000760304_100009817187 [0,0,0,1,0,0|2,0,1]=4 6193 B15R1.8881 OB(O)CCCCCCSCC1CCC1 62a_100000763275_100009817187 [0,0,0,1,0,0|2,0,1]=4 6194 B15R1.8881 OB(O)CCCCCCSCC1CCC1 62a_100009817187_100000763275 [0,0,0,1,0,0|2,0,1]=4 6195 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 2230a_200011996284_100000742324 [0,0,0,1,0,0|3,0,0]=4 6196 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 269862a_200011996284_100000741477 [0,0,0,1,0,0|3,0,0]=4 6197 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 34a_200011996284_100000742324 [0,0,0,1,0,0|3,0,0]=4 6198 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 2230a_200012022750_100000694398 [0,0,0,1,0,0|3,0,0]=4 6199 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 34a_200012022750_100000694398 [0,0,0,1,0,0|3,0,0]=4 6200 B15R1.8900 CC(=O)OCCCCCNCCC1CC1 34a_100000764129_100000033007 [0,0,0,1,0,0|3,0,0]=4 6201 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 34a_100000754188_100000033007 [0,0,0,1,0,0|3,0,0]=4 6202 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 7a_100000754188_100000033007 [0,0,0,1,0,0|3,0,0]=4 6203 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000033007_100000764125 [0,0,0,1,0,0|3,0,0]=4 6204 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000764125_100000033007 [0,0,0,1,0,0|3,0,0]=4 6205 B15R1.8900 CC(=O)SCCCCCCNCC1CC1 269862a_100000704104_100000741477 [0,0,0,1,0,0|3,0,0]=4 6206 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 34a_100000123541_100000733510 [0,0,0,1,0,0|3,0,0]=4 6207 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 7a_100000123541_100000733510 [0,0,0,1,0,0|3,0,0]=4 6208 B15R1.8900 NC(=O)CCCCCOCCNC1CC1 34a_100000738766_100009817443 [0,0,0,1,0,0|3,0,0]=4 6209 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009817443 [0,0,0,1,0,0|3,0,0]=4 6210 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100009817443_100000733510 [0,0,0,1,0,0|3,0,0]=4 6211 B15R1.8900 O=C(O)COCCOCCNCC1CC1 269956a_100009854275_100000742324 [0,0,0,1,0,0|3,0,0]=4 6212 B15R1.8900 O=C([O-])CCCCCOCCCC1CO1 7a_100102619762_100000733510 [0,0,0,1,0,0|2,0,1]=4 6213 B15R1.8900 OB(O)CCCCCCNCCC1CC1 34a_100000764129_100009817187 [0,0,0,1,0,0|2,0,1]=4 6214 B15R1.8900 OB(O)CCCCCCOCCC1CC1 34a_100000754188_100009817187 [0,0,0,1,0,0|2,0,1]=4 6215 B15R1.8900 OB(O)CCCCCCOCCC1CC1 7a_100000754188_100009817187 [0,0,0,1,0,0|2,0,1]=4 6216 B15R1.8900 OB(O)CCCCCCSCCC1CC1 62a_100000764125_100009817187 [0,0,0,1,0,0|2,0,1]=4 6217 B15R1.8900 OB(O)CCCCCCSCCC1CC1 62a_100009817187_100000764125 [0,0,0,1,0,0|2,0,1]=4 6218 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 34a_100011216312_100000730704 [0,0,0,1,0,0|3,0,0]=4 6219 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 7a_100011216312_100000730704 [0,0,0,1,0,0|3,0,0]=4 6220 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 2230a_100011532352_100000748629 [0,0,0,1,0,0|3,0,0]=4 6221 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 34a_100011532352_100000748629 [0,0,0,1,0,0|3,0,0]=4 6222 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 2230a_100011532352_100009893438 [0,0,0,1,0,0|3,0,0]=4 6223 B15R1.8920 C=C(F)CNCCC1CCCCCCC1 34a_100011532352_100009893438 [0,0,0,1,0,0|3,0,0]=4 6224 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,0,0,1,0,0|2,0,0]=3 6225 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,0,0,1,0,0|2,0,0]=3 6226 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,0,0,1,0,0|2,0,0]=3 6227 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,0,0,1,0,0|2,0,0]=3 6228 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,0,0,1,0,0|2,0,0]=3 6229 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,0,0,1,0,0|2,0,0]=3 6230 B15R1.8920 CC(=O)NCCNC1CCCCCCC1 2230a_100000211152_100000189650 [0,0,0,1,0,0|3,0,0]=4 6231 B15R1.8920 CC(=O)NCCOC1CCCCCCC1 7a_100000210054_100000189650 [0,0,0,1,0,0|3,0,0]=4 6232 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 269982a_100000211400_100000042594 [0,0,0,1,0,0|3,0,0]=4 6233 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 34a_100000211400_100000042594 [0,0,0,1,0,0|3,0,0]=4 6234 B15R1.8920 CC(=O)OCCNC1CCCCCCC1 34a_100000211152_100009814007 [0,0,0,1,0,0|3,0,0]=4 6235 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 34a_100000210054_100009814007 [0,0,0,1,0,0|3,0,0]=4 6236 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 7a_100000210054_100009814007 [0,0,0,1,0,0|3,0,0]=4 6237 B15R1.8920 CC(=O)OCOCC1CCCCCCC1 34a_100011216312_100009813279 [0,0,0,1,0,0|3,0,0]=4 6238 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 2230a_100000211400_100000038929 [0,0,0,1,0,0|3,0,0]=4 6239 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 269982a_100000211400_100000038929 [0,0,0,1,0,0|3,0,0]=4 6240 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 34a_100000211400_100000038929 [0,0,0,1,0,0|3,0,0]=4 6241 B15R1.8920 CC(O)CCCNC1CCCCCCC1 2230a_100000211152_200000718107 [0,0,0,1,0,0|2,0,1]=4 6242 B15R1.8920 CC(O)CCCNC1CCCCCCC1 34a_100000211152_200000718107 [0,0,0,1,0,0|2,0,1]=4 6243 B15R1.8920 CC(O)CCCOC1CCCCCCC1 34a_100000210054_200000718107 [0,0,0,1,0,0|2,0,1]=4 6244 B15R1.8920 CC(O)CCCOC1CCCCCCC1 7a_100000210054_200000718107 [0,0,0,1,0,0|2,0,1]=4 6245 B15R1.8920 CC(O)CCOCC1CCCCCCC1 34a_100011216312_100012276601 [0,0,0,1,0,0|2,0,1]=4 6246 B15R1.8920 CC(O)CCOCC1CCCCCCC1 7a_100011216312_100012276601 [0,0,0,1,0,0|2,0,1]=4 6247 B15R1.8920 CC(O)CNCCC1CCCCCCC1 2230a_100011532352_100011218427 [0,0,0,1,0,0|2,0,1]=4 6248 B15R1.8920 CC(O)CNCCC1CCCCCCC1 34a_100011532352_100011218427 [0,0,0,1,0,0|2,0,1]=4 6249 B15R1.8920 CS(=O)CCCNC1CCCCCCC1 270004a_200000753449_100000210524 [0,0,0,1,0,0|3,0,0]=4 6250 B15R1.8920 C[C@@H](O)CNCCC1CCCCCCC1 2230a_100011532352_100009817552 [0,0,0,1,0,0|2,0,1]=4 6251 B15R1.8920 C[C@@H](O)CNCCC1CCCCCCC1 34a_100011532352_100009817552 [0,0,0,1,0,0|2,0,1]=4 6252 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,0,0,1,0,0|2,0,0]=3 6253 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,0,0,1,0,0|2,0,0]=3 6254 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,0,0,1,0,0|2,0,0]=3 6255 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,0,0,1,0,0|2,0,0]=3 6256 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,0,0,1,0,0|2,0,0]=3 6257 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,0,0,1,0,0|2,0,0]=3 6258 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,0,0,1,0,0|2,0,0]=3 6259 B15R1.8920 NC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000076697 [0,0,0,1,0,0|3,0,0]=4 6260 B15R1.8920 NC(=O)COCCN1CCCCCCC1 269982a_100000211400_100000076697 [0,0,0,1,0,0|3,0,0]=4 6261 B15R1.8920 NC(=O)COCCN1CCCCCCC1 34a_100000211400_100000076697 [0,0,0,1,0,0|3,0,0]=4 6262 B15R1.8920 NC(=O)NCCNC1CCCCCCC1 2230a_100000211152_200000034859 [0,0,0,1,0,0|3,0,0]=4 6263 B15R1.8920 NC(=O)NCCOC1CCCCCCC1 7a_100000210054_200000034859 [0,0,0,1,0,0|3,0,0]=4 6264 B15R1.8920 NC(=O)OCCNC1CCCCCCC1 34a_100000211152_200011214921 [0,0,0,1,0,0|3,0,0]=4 6265 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 34a_100000210054_200011214921 [0,0,0,1,0,0|3,0,0]=4 6266 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 7a_100000210054_200011214921 [0,0,0,1,0,0|3,0,0]=4 6267 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,0,0,1,0,0|1,0,1]=3 6268 B15R1.8920 O=[N+]([O-])CNCCC1CCCCCCC1 34a_100011532352_100000761209 [0,0,0,1,0,0|2,0,1]=4 6269 B15R1.8920 OB(O)CCCCN1CCCCCCC1 2230a_100000211400_200009817182 [0,0,0,1,0,0|2,0,1]=4 6270 B15R1.8920 OB(O)CCCCN1CCCCCCC1 269982a_100000211400_200009817182 [0,0,0,1,0,0|2,0,1]=4 6271 B15R1.8920 OB(O)CCCCN1CCCCCCC1 34a_100000211400_200009817182 [0,0,0,1,0,0|2,0,1]=4 6272 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 2230a_100011532351_100000730704 [0,0,0,1,0,0|3,0,0]=4 6273 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 34a_100011532351_100000730704 [0,0,0,1,0,0|3,0,0]=4 6274 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,0,0,1,0,0|2,0,0]=3 6275 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,0,0,1,0,0|2,0,0]=3 6276 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,0,0,1,0,0|2,0,0]=3 6277 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,0,0,1,0,0|2,0,0]=3 6278 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,0,0,1,0,0|2,0,0]=3 6279 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,0,0,1,0,0|2,0,0]=3 6280 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,0,0,1,0,0|2,0,0]=3 6281 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,0,0,1,0,0|2,0,0]=3 6282 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,0,0,1,0,0|2,0,0]=3 6283 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,0,0,1,0,0|2,0,0]=3 6284 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,0,0,1,0,0|2,0,0]=3 6285 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,0,0,1,0,0|2,0,0]=3 6286 B15R1.8958 CC(=O)CCOCCN1CCCCCC1 7a_100000759926_100000722644 [0,0,0,1,0,0|3,0,0]=4 6287 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000053229_100000722644 [0,0,0,1,0,0|3,0,0]=4 6288 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000053229 [0,0,0,1,0,0|3,0,0]=4 6289 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100015343762 [0,0,0,1,0,0|3,0,0]=4 6290 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100015343762 [0,0,0,1,0,0|3,0,0]=4 6291 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 527a_100011207362_100103153847 [0,0,0,1,0,0|3,0,0]=4 6292 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 270004a_100000736810_100000210131 [0,0,0,1,0,0|3,0,0]=4 6293 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 34a_100000736810_100011217769 [0,0,0,1,0,0|3,0,0]=4 6294 B15R1.8958 CC(=O)NCCCOC1CCCCCC1 34a_100000752032_100011217769 [0,0,0,1,0,0|3,0,0]=4 6295 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100000209853_200000696569 [0,0,0,1,0,0|3,0,0]=4 6296 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100015204231_100000189650 [0,0,0,1,0,0|3,0,0]=4 6297 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 269862a_100000209853_200000763224 [0,0,0,1,0,0|3,0,0]=4 6298 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 34a_100000158858_200000696569 [0,0,0,1,0,0|3,0,0]=4 6299 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 7a_100000699130_100000189650 [0,0,0,1,0,0|3,0,0]=4 6300 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_100000189650_200000696569 [0,0,0,1,0,0|3,0,0]=4 6301 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_200000696569_100000189650 [0,0,0,1,0,0|3,0,0]=4 6302 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 269982a_100000185865_100000033659 [0,0,0,1,0,0|3,0,0]=4 6303 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 34a_100000185865_100000033659 [0,0,0,1,0,0|3,0,0]=4 6304 B15R1.8958 CC(=O)OCCCNC1CCCCCC1 34a_100000210984_100000042594 [0,0,0,1,0,0|3,0,0]=4 6305 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 34a_100000210887_100000042594 [0,0,0,1,0,0|3,0,0]=4 6306 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 7a_100000210887_100000042594 [0,0,0,1,0,0|3,0,0]=4 6307 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100000042594_100011217769 [0,0,0,1,0,0|3,0,0]=4 6308 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100011217769_100000042594 [0,0,0,1,0,0|3,0,0]=4 6309 B15R1.8958 CC(=O)OCCNCC1CCCCCC1 34a_100015204231_100009814007 [0,0,0,1,0,0|3,0,0]=4 6310 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 34a_100000699130_100009814007 [0,0,0,1,0,0|3,0,0]=4 6311 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 7a_100000699130_100009814007 [0,0,0,1,0,0|3,0,0]=4 6312 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_100009814007_200000696569 [0,0,0,1,0,0|3,0,0]=4 6313 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_200000696569_100009814007 [0,0,0,1,0,0|3,0,0]=4 6314 B15R1.8958 CC(=O)OCNCCC1CCCCCC1 34a_100011532351_100009813279 [0,0,0,1,0,0|3,0,0]=4 6315 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 2230a_100000185865_200010402107 [0,0,0,1,0,0|3,0,0]=4 6316 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 269982a_100000185865_200010402107 [0,0,0,1,0,0|3,0,0]=4 6317 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 34a_100000185865_200010402107 [0,0,0,1,0,0|3,0,0]=4 6318 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 2230a_100000210984_100000038929 [0,0,0,1,0,0|3,0,0]=4 6319 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 34a_100000210984_100000038929 [0,0,0,1,0,0|3,0,0]=4 6320 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 34a_100000210887_100000038929 [0,0,0,1,0,0|3,0,0]=4 6321 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 7a_100000210887_100000038929 [0,0,0,1,0,0|3,0,0]=4 6322 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100000038929_100011217769 [0,0,0,1,0,0|3,0,0]=4 6323 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100011217769_100000038929 [0,0,0,1,0,0|3,0,0]=4 6324 B15R1.8958 CC(=O)SCCNCC1CCCCCC1 269862a_100020647217_200000763224 [0,0,0,1,0,0|3,0,0]=4 6325 B15R1.8958 CC(O)CCCNCC1CCCCCC1 2230a_100015204231_200000718107 [0,0,0,1,0,0|2,0,1]=4 6326 B15R1.8958 CC(O)CCCNCC1CCCCCC1 34a_100015204231_200000718107 [0,0,0,1,0,0|2,0,1]=4 6327 B15R1.8958 CC(O)CCCOCC1CCCCCC1 34a_100000699130_200000718107 [0,0,0,1,0,0|2,0,1]=4 6328 B15R1.8958 CC(O)CCCOCC1CCCCCC1 7a_100000699130_200000718107 [0,0,0,1,0,0|2,0,1]=4 6329 B15R1.8958 CC(O)CCCSCC1CCCCCC1 62a_200000696569_200000718107 [0,0,0,1,0,0|2,0,1]=4 6330 B15R1.8958 CC(O)CCCSCC1CCCCCC1 62a_200000718107_200000696569 [0,0,0,1,0,0|2,0,1]=4 6331 B15R1.8958 CC(O)CCNCCC1CCCCCC1 2230a_100011532351_100012276601 [0,0,0,1,0,0|2,0,1]=4 6332 B15R1.8958 CC(O)CCNCCC1CCCCCC1 34a_100011532351_100012276601 [0,0,0,1,0,0|2,0,1]=4 6333 B15R1.8958 CS(=O)CCCNCC1CCCCCC1 2230a_200000753449_200000696569 [0,0,0,1,0,0|3,0,0]=4 6334 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,0,0,1,0,0|2,0,0]=3 6335 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,0,0,1,0,0|2,0,0]=3 6336 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,0,0,1,0,0|2,0,0]=3 6337 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 2230a_100000685342_100009817443 [0,0,0,1,0,0|3,0,0]=4 6338 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 269982a_100000685342_100009817443 [0,0,0,1,0,0|3,0,0]=4 6339 B15R1.8958 NC(=O)CCCCCN1CCCOCC1 34a_100000685342_100009817443 [0,0,0,1,0,0|3,0,0]=4 6340 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,0,0,1,0,0|2,0,0]=3 6341 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,0,0,1,0,0|2,0,0]=3 6342 B15R1.8958 NC(=O)CCCCNC1CCCNCC1 270004a_100000696515_100015187895 [0,0,0,1,0,0|3,0,0]=4 6343 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,0,0,1,0,0|2,0,0]=3 6344 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,0,0,1,0,0|2,0,0]=3 6345 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,0,0,1,0,0|2,0,0]=3 6346 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,0,0,1,0,0|2,0,0]=3 6347 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,0,0,1,0,0|2,0,0]=3 6348 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,0,0,1,0,0|2,0,0]=3 6349 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,0,0,1,0,0|2,0,0]=3 6350 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,0,0,1,0,0|2,0,0]=3 6351 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,0,0,1,0,0|2,0,0]=3 6352 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,0,0,1,0,0|2,0,0]=3 6353 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 34a_100000238007_100000731001 [0,0,0,1,0,0|3,0,0]=4 6354 B15R1.8958 NC(=O)CCOCCN1CCCCCC1 7a_100000757172_100000722644 [0,0,0,1,0,0|3,0,0]=4 6355 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000744528 [0,0,0,1,0,0|3,0,0]=4 6356 B15R1.8958 NC(=O)CCSCCN1CCCCCC1 62a_100000744528_100000722644 [0,0,0,1,0,0|3,0,0]=4 6357 B15R1.8958 NC(=O)COCCCN1CCCCCC1 34a_100102886287_100000187820 [0,0,0,1,0,0|3,0,0]=4 6358 B15R1.8958 NC(=O)COCCCN1CCCCCC1 7a_100102886287_100000187820 [0,0,0,1,0,0|3,0,0]=4 6359 B15R1.8958 NC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000076697 [0,0,0,1,0,0|3,0,0]=4 6360 B15R1.8958 NC(=O)COCCNC1CCCCCC1 34a_100000210984_100000076697 [0,0,0,1,0,0|3,0,0]=4 6361 B15R1.8958 NC(=O)COCCOC1CCCCCC1 34a_100000210887_100000076697 [0,0,0,1,0,0|3,0,0]=4 6362 B15R1.8958 NC(=O)COCCOC1CCCCCC1 7a_100000210887_100000076697 [0,0,0,1,0,0|3,0,0]=4 6363 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100000076697_100011217769 [0,0,0,1,0,0|3,0,0]=4 6364 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100011217769_100000076697 [0,0,0,1,0,0|3,0,0]=4 6365 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 2230a_100015204231_200000034859 [0,0,0,1,0,0|3,0,0]=4 6366 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 269862a_100020590234_200000763224 [0,0,0,1,0,0|3,0,0]=4 6367 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 34a_100020590234_200000696569 [0,0,0,1,0,0|3,0,0]=4 6368 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 34a_100000181757_200000696569 [0,0,0,1,0,0|3,0,0]=4 6369 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 7a_100000699130_200000034859 [0,0,0,1,0,0|3,0,0]=4 6370 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000034859_200000696569 [0,0,0,1,0,0|3,0,0]=4 6371 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000696569_200000034859 [0,0,0,1,0,0|3,0,0]=4 6372 B15R1.8958 NC(=O)OCCNCC1CCCCCC1 34a_100015204231_200011214921 [0,0,0,1,0,0|3,0,0]=4 6373 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 34a_100000699130_200011214921 [0,0,0,1,0,0|3,0,0]=4 6374 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000699130_200011214921 [0,0,0,1,0,0|3,0,0]=4 6375 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000766696_200000696569 [0,0,0,1,0,0|3,0,0]=4 6376 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200000696569_200011214921 [0,0,0,1,0,0|3,0,0]=4 6377 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200011214921_200000696569 [0,0,0,1,0,0|3,0,0]=4 6378 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,0,0,1,0,0|2,0,0]=3 6379 B15R1.8958 O=C(O)CONCCN1CCCCCC1 269956a_100000106656_100000722644 [0,0,0,1,0,0|3,0,0]=4 6380 B15R1.8958 O=C([O-])COCCCN1CCCCCC1 34a_100102886287_100020667443 [0,0,0,1,0,0|2,0,1]=4 6381 B15R1.8958 O=[N+]([O-])CCCCOC1CCCCCC1 34a_200015379883_100011217769 [0,0,0,1,0,0|2,0,1]=4 6382 B15R1.8958 O=[N+]([O-])CCCOCC1CCCCCC1 34a_200000037920_200000696569 [0,0,0,1,0,0|2,0,1]=4 6383 B15R1.8958 OB(O)CCCCCN1CCCCCC1 2230a_100000185865_200009817188 [0,0,0,1,0,0|2,0,1]=4 6384 B15R1.8958 OB(O)CCCCCN1CCCCCC1 269982a_100000185865_200009817188 [0,0,0,1,0,0|2,0,1]=4 6385 B15R1.8958 OB(O)CCCCCN1CCCCCC1 34a_100000185865_200009817188 [0,0,0,1,0,0|2,0,1]=4 6386 B15R1.8958 OB(O)CCCCNC1CCCCCC1 2230a_100000210984_200009817182 [0,0,0,1,0,0|2,0,1]=4 6387 B15R1.8958 OB(O)CCCCNC1CCCCCC1 34a_100000210984_200009817182 [0,0,0,1,0,0|2,0,1]=4 6388 B15R1.8958 OB(O)CCCCOC1CCCCCC1 34a_100000210887_200009817182 [0,0,0,1,0,0|2,0,1]=4 6389 B15R1.8958 OB(O)CCCCOC1CCCCCC1 7a_100000210887_200009817182 [0,0,0,1,0,0|2,0,1]=4 6390 B15R1.8958 OB(O)CCCCSC1CCCCCC1 62a_100011217769_200009817182 [0,0,0,1,0,0|2,0,1]=4 6391 B15R1.8958 OB(O)CCCCSC1CCCCCC1 62a_200009817182_100011217769 [0,0,0,1,0,0|2,0,1]=4 6392 B15R1.9036 CN(C)C1CCCCCCCCCCC1 270004a_100102631434_100000210130 [0,0,0,1,0,0|3,0,0]=4 6393 B15R1.9199 CCCCCCCCCCNCC1CO1 2230a_100000684558_100011216344 [0,0,0,1,0,0|2,0,1]=4 6394 B15R1.9199 CCCCCCCCCCNCC1CO1 34a_100000684558_102125554688 [0,0,0,1,0,0|2,0,1]=4 6395 B15R1.9199 CCCCCCCCCCOCC1CO1 34a_100000210711_102125554688 [0,0,0,1,0,0|2,0,1]=4 6396 B15R1.9199 CCCCCCCCCCOCC1CO1 7a_100000210711_102125554688 [0,0,0,1,0,0|2,0,1]=4 6397 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210320 [0,0,0,1,0,0|2,0,1]=4 6398 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 7a_100000210711_100000745022 [0,0,0,1,0,0|2,0,1]=4 6399 B15R1.9199 CCCCCCCCCCSCC1CO1 62a_102125554688_100000210320 [0,0,0,1,0,0|2,0,1]=4 6400 B15R1.9199 CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210320 [0,0,0,1,0,0|2,0,1]=4 6401 B15R1.9199 CCCCCCCCCNCCC1CO1 2230a_100000212291_100000732470 [0,0,0,1,0,0|2,0,1]=4 6402 B15R1.9199 CCCCCCCCCNCCC1CO1 34a_100000212291_100000732470 [0,0,0,1,0,0|2,0,1]=4 6403 B15R1.9199 CCCCCCCCCOCCC1CO1 34a_100000210712_100000732470 [0,0,0,1,0,0|2,0,1]=4 6404 B15R1.9199 CCCCCCCCCOCCC1CO1 7a_100000210712_100000732470 [0,0,0,1,0,0|2,0,1]=4 6405 B15R1.9199 CCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011214924 [0,0,0,1,0,0|2,0,1]=4 6406 B15R1.9199 CCCCCCCCCSCCC1CO1 62a_100000732470_100000210670 [0,0,0,1,0,0|2,0,1]=4 6407 B15R1.9199 CCCCCCCCNCCCC1CO1 2230a_100000229939_100000733510 [0,0,0,1,0,0|2,0,1]=4 6408 B15R1.9199 CCCCCCCCNCCCC1CO1 34a_100000229939_100000733510 [0,0,0,1,0,0|2,0,1]=4 6409 B15R1.9199 CCCCCCCCOCCCC1CO1 34a_100000210232_100000733510 [0,0,0,1,0,0|2,0,1]=4 6410 B15R1.9199 CCCCCCCCOCCCC1CO1 7a_100000210232_100000733510 [0,0,0,1,0,0|2,0,1]=4 6411 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000210759_100000733510 [0,0,0,1,0,0|2,0,1]=4 6412 B15R1.9199 CCCCCCCCSCCCC1CO1 62a_100000733510_100000210317 [0,0,0,1,0,0|2,0,1]=4 6413 B15R1.9274 C#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012276617 [0,0,0,1,0,0|1,0,2]=4 6414 B15R1.9274 C=CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215473 [0,0,0,1,0,0|1,0,2]=4 6415 B15R1.9274 CCCCCC#CCN1CCC1C(=O)O 269956a_100000021838_100009816472 [0,0,0,1,0,0|1,0,2]=4 6416 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,0,0,1,0,0|1,0,0]=2 6417 B15R1.9274 CCOCCOCCN1CCC1C(=O)O 269956a_100000021838_100011211534 [0,0,0,1,0,0|3,0,0]=4 6418 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [0,0,0,1,0,0|2,0,0]=3 6419 B15R1.9274 COCCOCCCN1CCC1C(=O)O 269956a_100000021838_100011216529 [0,0,0,1,0,0|3,0,0]=4 6420 B15R1.9274 N#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813337 [0,0,0,1,0,0|2,0,1]=4 6421 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [0,0,0,1,0,0|2,0,0]=3 6422 B15R1.10901 C#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000184674 [0,0,0,1,0,0|1,0,2]=4 6423 B15R1.10901 C=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210623 [0,0,0,1,0,0|1,0,2]=4 6424 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,0,0,1,0,0|1,0,0]=2 6425 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [0,0,0,1,0,0|2,0,0]=3 6426 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [0,0,0,1,0,0|2,0,0]=3 6427 B15R1.10901 N#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215382 [0,0,0,1,0,0|2,0,1]=4 6428 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [0,0,0,1,0,0|2,0,0]=3 6429 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [0,0,0,1,0,0|2,0,0]=3 6430 B15R1.10901 O=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200015260668 [0,0,0,1,0,0|2,0,1]=4 6431 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,0,0,1,0,0|2,0,0]=3 6432 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,0,0,1,0,0|2,0,0]=3 6433 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 2230a_100000039187_100000189650 [0,0,0,1,0,0|3,0,0]=4 6434 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 269982a_100000039187_100000189650 [0,0,0,1,0,0|3,0,0]=4 6435 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 269982a_100000039187_100009814007 [0,0,0,1,0,0|3,0,0]=4 6436 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 34a_100000039187_100009814007 [0,0,0,1,0,0|3,0,0]=4 6437 B15R1.12194 CC(O)CCCN1CCCCCCCC1 2230a_100000039187_200000718107 [0,0,0,1,0,0|2,0,1]=4 6438 B15R1.12194 CC(O)CCCN1CCCCCCCC1 269982a_100000039187_200000718107 [0,0,0,1,0,0|2,0,1]=4 6439 B15R1.12194 CC(O)CCCN1CCCCCCCC1 34a_100000039187_200000718107 [0,0,0,1,0,0|2,0,1]=4 6440 B15R1.12194 CC(O)CCNC1CCCCCCCC1 270004a_200000755665_100000038600 [0,0,0,1,0,0|2,0,1]=4 6441 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,0,0,1,0,0|2,0,0]=3 6442 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,0,0,1,0,0|2,0,0]=3 6443 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 2230a_100000039187_200000034859 [0,0,0,1,0,0|3,0,0]=4 6444 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 269982a_100000039187_200000034859 [0,0,0,1,0,0|3,0,0]=4 6445 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 269982a_100000039187_200011214921 [0,0,0,1,0,0|3,0,0]=4 6446 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 34a_100000039187_200011214921 [0,0,0,1,0,0|3,0,0]=4 6447 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [2,0,0,0,0,0|1,0,1]=4 6448 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [2,0,0,0,0,0|1,0,1]=4 6449 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [2,0,0,0,0,0|1,0,1]=4 6450 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [2,0,0,0,0,0|1,0,1]=4 6451 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [2,0,0,0,0,0|1,0,1]=4 6452 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [2,0,0,0,0,0|1,0,1]=4 6453 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [2,0,0,0,0,0|1,0,1]=4 6454 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [2,0,0,0,0,0|1,0,1]=4 6455 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [2,0,0,0,0,0|1,0,1]=4 6456 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [2,0,0,0,0,0|1,0,1]=4 6457 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [2,0,0,0,0,0|1,0,1]=4 6458 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [2,0,0,0,0,0|1,0,1]=4 6459 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [2,0,0,0,0,0|1,0,1]=4 6460 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [2,0,0,0,0,0|1,0,1]=4 6461 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [2,0,0,0,0,0|1,0,1]=4 6462 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [2,0,0,0,0,0|1,0,1]=4 6463 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [2,0,0,0,0,0|1,0,1]=4 6464 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [2,0,0,0,0,0|1,0,1]=4 6465 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [2,0,0,0,0,0|1,0,1]=4 6466 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [2,0,0,0,0,0|1,0,1]=4 6467 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [2,0,0,0,0,0|1,0,1]=4 6468 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [2,0,0,0,0,0|1,0,1]=4 6469 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [2,0,0,0,0,0|1,0,1]=4 6470 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [2,0,0,0,0,0|1,0,1]=4 6471 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [2,0,0,0,0,0|1,0,1]=4 6472 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [2,0,0,0,0,0|1,0,1]=4 6473 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [2,0,0,0,0,0|1,0,1]=4 6474 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [2,0,0,0,0,0|1,0,1]=4 6475 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [2,0,0,0,0,0|1,0,1]=4 6476 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [2,0,0,0,0,0|1,0,1]=4 6477 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [2,0,0,0,0,0|1,0,1]=4 6478 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [2,0,0,0,0,0|1,0,1]=4 6479 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [2,0,0,0,0,0|1,0,1]=4 6480 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [2,0,0,0,0,0|1,0,1]=4 6481 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [2,0,0,0,0,0|1,0,1]=4 6482 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [2,0,0,0,0,0|1,0,1]=4 6483 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [2,0,0,0,0,0|1,0,1]=4 6484 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [2,0,0,0,0,0|1,0,1]=4 6485 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [2,0,0,0,0,0|1,0,1]=4 6486 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [2,0,0,0,0,0|1,0,1]=4 6487 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [2,0,0,0,0,0|1,0,1]=4 6488 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [2,0,0,0,0,0|1,0,1]=4 6489 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [2,0,0,0,0,0|1,0,1]=4 6490 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [2,0,0,0,0,0|1,0,1]=4 6491 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [2,0,0,0,0,0|1,0,1]=4 6492 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [2,0,0,0,0,0|1,0,1]=4 6493 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [2,0,0,0,0,0|1,0,1]=4 6494 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [2,0,0,0,0,0|1,0,1]=4 6495 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [2,0,0,0,0,0|1,0,1]=4 6496 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [2,0,0,0,0,0|1,0,1]=4 6497 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [2,0,0,0,0,0|1,0,1]=4 6498 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [2,0,0,0,0,0|1,0,1]=4 6499 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [2,0,0,0,0,0|1,0,1]=4 6500 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [2,0,0,0,0,0|1,0,1]=4 6501 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [2,0,0,0,0,0|1,0,1]=4 6502 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [2,0,0,0,0,0|1,0,1]=4 6503 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [2,0,0,0,0,0|1,0,1]=4 6504 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [2,0,0,0,0,0|1,0,1]=4 6505 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [2,0,0,0,0,0|1,0,1]=4 6506 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [2,0,0,0,0,0|1,0,1]=4 6507 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [2,0,0,0,0,0|1,0,1]=4 6508 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [2,0,0,0,0,0|1,0,1]=4 6509 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [2,0,0,0,0,0|1,0,1]=4 6510 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [2,0,0,0,0,0|1,0,1]=4 6511 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [2,0,0,0,0,0|1,0,1]=4 6512 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [2,0,0,0,0,0|1,0,1]=4 6513 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [2,0,0,0,0,0|1,0,1]=4 6514 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [2,0,0,0,0,0|1,0,1]=4 6515 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [2,0,0,0,0,0|1,0,1]=4 6516 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [2,0,0,0,0,0|1,0,1]=4 6517 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [2,0,0,0,0,0|1,0,1]=4 6518 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [2,0,0,0,0,0|1,0,1]=4 6519 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [2,0,0,0,0,0|1,0,1]=4 6520 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [2,0,0,0,0,0|1,0,1]=4 6521 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [2,0,0,0,0,0|1,0,1]=4 6522 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [2,0,0,0,0,0|1,0,1]=4 6523 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [2,0,0,0,0,0|1,0,1]=4 6524 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [2,0,0,0,0,0|1,0,1]=4 6525 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [2,0,0,0,0,0|1,0,1]=4 6526 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [2,0,0,0,0,0|1,0,1]=4 6527 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [2,0,0,0,0,0|1,0,1]=4 6528 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [2,0,0,0,0,0|1,0,1]=4 6529 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [2,0,0,0,0,0|1,0,1]=4 6530 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [2,0,0,0,0,0|1,0,1]=4 6531 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [2,0,0,0,0,0|1,0,1]=4 6532 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [2,0,0,0,0,0|1,0,1]=4 6533 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [2,0,0,0,0,0|1,0,1]=4 6534 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [2,0,0,0,0,0|1,0,1]=4 6535 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [2,0,0,0,0,0|1,0,1]=4 6536 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [2,0,0,0,0,0|1,0,1]=4 6537 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [2,0,0,0,0,0|1,0,1]=4 6538 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [2,0,0,0,0,0|1,0,1]=4 6539 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [2,0,0,0,0,0|2,0,0]=4 6540 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [2,0,0,0,0,0|1,0,1]=4 6541 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [2,0,0,0,0,0|1,0,1]=4 6542 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [2,0,0,0,0,0|1,0,1]=4 6543 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [2,0,0,0,0,0|2,0,0]=4 6544 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [2,0,0,0,0,0|2,0,0]=4 6545 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [2,0,0,0,0,0|1,0,1]=4 6546 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [2,0,0,0,0,0|2,0,0]=4 6547 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [2,0,0,0,0,0|1,0,0]=3 6548 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [2,0,0,0,0,0|1,0,0]=3 6549 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [2,0,0,0,0,0|1,0,1]=4 6550 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [2,0,0,0,0,0|1,0,1]=4 6551 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [2,0,0,0,0,0|2,0,0]=4 6552 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [2,0,0,0,0,0|2,0,0]=4 6553 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [2,0,0,0,0,0|2,0,0]=4 6554 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [2,0,0,0,0,0|1,0,0]=3 6555 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [2,0,0,0,0,0|1,0,0]=3 6556 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [2,0,0,0,0,0|1,0,0]=3 6557 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [2,0,0,0,0,0|1,0,0]=3 6558 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [2,0,0,0,0,0|1,0,0]=3 6559 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [2,0,0,0,0,0|1,0,0]=3 6560 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [2,0,0,0,0,0|2,0,0]=4 6561 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [2,0,0,0,0,0|1,0,1]=4 6562 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [2,0,0,0,0,0|1,0,1]=4 6563 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [2,0,0,0,0,0|1,0,1]=4 6564 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [2,0,0,0,0,0|2,0,0]=4 6565 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [2,0,0,0,0,0|2,0,0]=4 6566 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [2,0,0,0,0,0|2,0,0]=4 6567 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [2,0,0,0,0,0|1,0,0]=3 6568 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [2,0,0,0,0,0|1,0,0]=3 6569 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [2,0,0,0,0,0|1,0,0]=3 6570 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [2,0,0,0,0,0|1,0,1]=4 6571 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [2,0,0,0,0,0|2,0,0]=4 6572 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [2,0,0,0,0,0|1,0,0]=3 6573 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [2,0,0,0,0,0|1,0,1]=4 6574 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [2,0,0,0,0,0|1,0,1]=4 6575 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [2,0,0,0,0,0|1,0,1]=4 6576 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [2,0,0,0,0,0|1,0,1]=4 6577 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [2,0,0,0,0,0|2,0,0]=4 6578 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [2,0,0,0,0,0|2,0,0]=4 6579 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [2,0,0,0,0,0|2,0,0]=4 6580 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [2,0,0,0,0,0|2,0,0]=4 6581 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [2,0,0,0,0,0|1,0,0]=3 6582 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [2,0,0,0,0,0|1,0,0]=3 6583 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [2,0,0,0,0,0|2,0,0]=4 6584 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [2,0,0,0,0,0|1,0,1]=4 6585 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [2,0,0,0,0,0|1,0,1]=4 6586 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [2,0,0,0,0,0|1,0,1]=4 6587 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [2,0,0,0,0,0|1,0,1]=4 6588 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [2,0,0,0,0,0|2,0,0]=4 6589 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [2,0,0,0,0,0|2,0,0]=4 6590 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [2,0,0,0,0,0|2,0,0]=4 6591 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [2,0,0,0,0,0|2,0,0]=4 6592 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [2,0,0,0,0,0|2,0,0]=4 6593 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [2,0,0,0,0,0|1,0,0]=3 6594 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [2,0,0,0,0,0|1,0,0]=3 6595 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [2,0,0,0,0,0|1,0,1]=4 6596 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [2,0,0,0,0,0|1,0,1]=4 6597 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [2,0,0,0,0,0|2,0,0]=4 6598 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [2,0,0,0,0,0|2,0,0]=4 6599 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [2,0,0,0,0,0|1,0,0]=3 6600 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [2,0,0,0,0,0|1,0,0]=3 6601 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [2,0,0,0,0,0|1,0,0]=3 6602 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [2,0,0,0,0,0|1,0,1]=4 6603 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [2,0,0,0,0,0|1,0,1]=4 6604 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [2,0,0,0,0,0|2,0,0]=4 6605 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [2,0,0,0,0,0|1,0,0]=3 6606 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [2,0,0,0,0,0|1,0,0]=3 6607 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [2,0,0,0,0,0|1,0,0]=3 6608 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [2,0,0,0,0,0|1,0,0]=3 6609 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [2,0,0,0,0,0|2,0,0]=4 6610 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [2,0,0,0,0,0|1,0,1]=4 6611 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [2,0,0,0,0,0|1,0,1]=4 6612 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [2,0,0,0,0,0|1,0,1]=4 6613 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [2,0,0,0,0,0|1,0,1]=4 6614 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [2,0,0,0,0,0|2,0,0]=4 6615 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [2,0,0,0,0,0|2,0,0]=4 6616 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [2,0,0,0,0,0|2,0,0]=4 6617 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [2,0,0,0,0,0|2,0,0]=4 6618 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [2,0,0,0,0,0|2,0,0]=4 6619 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [2,0,0,0,0,0|2,0,0]=4 6620 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [2,0,0,0,0,0|2,0,0]=4 6621 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [2,0,0,0,0,0|2,0,0]=4 6622 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [2,0,0,0,0,0|1,0,0]=3 6623 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [2,0,0,0,0,0|1,0,0]=3 6624 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [2,0,0,0,0,0|1,0,0]=3 6625 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [2,0,0,0,0,0|1,0,0]=3 6626 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [2,0,0,0,0,0|1,0,1]=4 6627 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [2,0,0,0,0,0|1,0,1]=4 6628 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [2,0,0,0,0,0|2,0,0]=4 6629 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [2,0,0,0,0,0|2,0,0]=4 6630 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [2,0,0,0,0,0|1,0,0]=3 6631 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [2,0,0,0,0,0|1,0,0]=3 6632 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [2,0,0,0,0,0|1,0,0]=3 6633 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [2,0,0,0,0,0|1,0,1]=4 6634 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [2,0,0,0,0,0|2,0,0]=4 6635 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [2,0,0,0,0,0|1,0,0]=3 6636 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [2,0,0,0,0,0|1,0,0]=3 6637 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [2,0,0,0,0,0|1,0,0]=3 6638 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [2,0,0,0,0,0|2,0,0]=4 6639 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [2,0,0,0,0,0|2,0,0]=4 6640 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [2,0,0,0,0,0|2,0,0]=4 6641 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [2,0,0,0,0,0|2,0,0]=4 6642 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [2,0,0,0,0,0|1,0,0]=3 6643 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [2,0,0,0,0,0|2,0,0]=4 6644 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [2,0,0,0,0,0|2,0,0]=4 6645 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [2,0,0,0,0,0|1,0,1]=4 6646 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [2,0,0,0,0,0|1,0,1]=4 6647 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [2,0,0,0,0,0|2,0,0]=4 6648 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [2,0,0,0,0,0|2,0,0]=4 6649 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [2,0,0,0,0,0|2,0,0]=4 6650 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [2,0,0,0,0,0|2,0,0]=4 6651 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [2,0,0,0,0,0|2,0,0]=4 6652 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [2,0,0,0,0,0|2,0,0]=4 6653 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [2,0,0,0,0,0|2,0,0]=4 6654 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [2,0,0,0,0,0|1,0,0]=3 6655 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [2,0,0,0,0,0|1,0,0]=3 6656 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [2,0,0,0,0,0|2,0,0]=4 6657 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [2,0,0,0,0,0|2,0,0]=4 6658 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [2,0,0,0,0,0|2,0,0]=4 6659 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [2,0,0,0,0,0|2,0,0]=4 6660 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [2,0,0,0,0,0|2,0,0]=4 6661 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [2,0,0,0,0,0|2,0,0]=4 6662 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [2,0,0,0,0,0|1,0,0]=3 6663 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [2,0,0,0,0,0|1,0,0]=3 6664 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [2,0,0,0,0,0|1,0,1]=4 6665 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [2,0,0,0,0,0|2,0,0]=4 6666 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [2,0,0,0,0,0|2,0,0]=4 6667 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [2,0,0,0,0,0|1,0,0]=3 6668 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [2,0,0,0,0,0|1,0,0]=3 6669 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [2,0,0,0,0,0|2,0,0]=4 6670 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [2,0,0,0,0,0|2,0,0]=4 6671 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [2,0,0,0,0,0|1,0,0]=3 6672 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [2,0,0,0,0,0|2,0,0]=4 6673 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [2,0,0,0,0,0|1,0,0]=3 6674 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [2,0,0,0,0,0|1,0,0]=3 6675 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [2,0,0,0,0,0|1,0,0]=3 6676 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [2,0,0,0,0,0|2,0,0]=4 6677 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [2,0,0,0,0,0|1,0,0]=3 6678 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [2,0,0,0,0,0|2,0,0]=4 6679 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [2,0,0,0,0,0|2,0,0]=4 6680 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [2,0,0,0,0,0|2,0,0]=4 6681 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [2,0,0,0,0,0|2,0,0]=4 6682 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [2,0,0,0,0,0|2,0,0]=4 6683 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [2,0,0,0,0,0|2,0,0]=4 6684 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [2,0,0,0,0,0|2,0,0]=4 6685 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [2,0,0,0,0,0|2,0,0]=4 6686 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [2,0,0,0,0,0|2,0,0]=4 6687 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [2,0,0,0,0,0|1,0,0]=3 6688 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [2,0,0,0,0,0|1,0,0]=3 6689 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [2,0,0,0,0,0|2,0,0]=4 6690 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [2,0,0,0,0,0|2,0,0]=4 6691 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [2,0,0,0,0,0|1,0,0]=3 6692 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [2,0,0,0,0,0|1,0,0]=3 6693 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [2,0,0,0,0,0|2,0,0]=4 6694 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [2,0,0,0,0,0|2,0,0]=4 6695 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [2,0,0,0,0,0|1,0,0]=3 6696 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [2,0,0,0,0,0|1,0,0]=3 6697 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [2,0,0,0,0,0|1,0,0]=3 6698 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [2,0,0,0,0,0|1,0,0]=3 6699 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [2,0,0,0,0,0|1,0,0]=3 6700 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [2,0,0,0,0,0|1,0,0]=3 6701 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [2,0,0,0,0,0|2,0,0]=4 6702 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [2,0,0,0,0,0|2,0,0]=4 6703 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [2,0,0,0,0,0|2,0,0]=4 6704 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [2,0,0,0,0,0|2,0,0]=4 6705 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [2,0,0,0,0,0|2,0,0]=4 6706 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [2,0,0,0,0,0|2,0,0]=4 6707 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [2,0,0,0,0,0|2,0,0]=4 6708 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [2,0,0,0,0,0|1,0,0]=3 6709 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [2,0,0,0,0,0|1,0,0]=3 6710 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [2,0,0,0,0,0|2,0,0]=4 6711 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [2,0,0,0,0,0|2,0,0]=4 6712 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [2,0,0,0,0,0|2,0,0]=4 6713 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [2,0,0,0,0,0|2,0,0]=4 6714 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [2,0,0,0,0,0|2,0,0]=4 6715 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [2,0,0,0,0,0|2,0,0]=4 6716 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [2,0,0,0,0,0|2,0,0]=4 6717 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [2,0,0,0,0,0|2,0,0]=4 6718 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [2,0,0,0,0,0|2,0,0]=4 6719 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [2,0,0,0,0,0|2,0,0]=4 6720 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [2,0,0,0,0,0|2,0,0]=4 6721 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [2,0,0,0,0,0|2,0,0]=4 6722 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [2,0,0,0,0,0|2,0,0]=4 6723 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [2,0,0,0,0,0|2,0,0]=4 6724 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [2,0,0,0,0,0|2,0,0]=4 6725 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [2,0,0,0,0,0|2,0,0]=4 6726 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [2,0,0,0,0,0|2,0,0]=4 6727 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [2,0,0,0,0,0|2,0,0]=4 6728 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [2,0,0,0,0,0|2,0,0]=4 6729 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [2,0,0,0,0,0|2,0,0]=4 6730 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [2,0,0,0,0,0|2,0,0]=4 6731 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [2,0,0,0,0,0|2,0,0]=4 6732 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [2,0,0,0,0,0|2,0,0]=4 6733 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [2,0,0,0,0,0|1,0,0]=3 6734 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [2,0,0,0,0,0|1,0,0]=3 6735 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [2,0,0,0,0,0|2,0,0]=4 6736 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [2,0,0,0,0,0|2,0,0]=4 6737 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [2,0,0,0,0,0|2,0,0]=4 6738 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [2,0,0,0,0,0|2,0,0]=4 6739 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [2,0,0,0,0,0|2,0,0]=4 6740 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [2,0,0,0,0,0|1,0,0]=3 6741 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [2,0,0,0,0,0|1,0,0]=3 6742 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [2,0,0,0,0,0|2,0,0]=4 6743 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [2,0,0,0,0,0|2,0,0]=4 6744 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [2,0,0,0,0,0|2,0,0]=4 6745 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [2,0,0,0,0,0|2,0,0]=4 6746 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [2,0,0,0,0,0|2,0,0]=4 6747 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [2,0,0,0,0,0|1,0,0]=3 6748 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [2,0,0,0,0,0|2,0,0]=4 6749 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [2,0,0,0,0,0|2,0,0]=4 6750 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [2,0,0,0,0,0|2,0,0]=4 6751 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [2,0,0,0,0,0|2,0,0]=4 6752 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [2,0,0,0,0,0|2,0,0]=4 6753 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [2,0,0,0,0,0|2,0,0]=4 6754 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [2,0,0,0,0,0|2,0,0]=4 6755 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [2,0,0,0,0,0|2,0,0]=4 6756 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [2,0,0,0,0,0|2,0,0]=4 6757 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [2,0,0,0,0,0|2,0,0]=4 6758 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [2,0,0,0,0,0|2,0,0]=4 6759 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [2,0,0,0,0,0|2,0,0]=4 6760 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [2,0,0,0,0,0|2,0,0]=4 6761 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [2,0,0,0,0,0|2,0,0]=4 6762 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [2,0,0,0,0,0|2,0,0]=4 6763 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [2,0,0,0,0,0|1,0,0]=3 6764 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [2,0,0,0,0,0|1,0,0]=3 6765 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [2,0,0,0,0,0|2,0,0]=4 6766 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [2,0,0,0,0,0|2,0,0]=4 6767 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [2,0,0,0,0,0|2,0,0]=4 6768 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [2,0,0,0,0,0|2,0,0]=4 6769 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [2,0,0,0,0,0|2,0,0]=4 6770 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [2,0,0,0,0,0|1,0,0]=3 6771 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [2,0,0,0,0,0|1,0,0]=3 6772 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [2,0,0,0,0,0|1,0,0]=3 6773 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [2,0,0,0,0,0|2,0,0]=4 6774 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [2,0,0,0,0,0|2,0,0]=4 6775 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [2,0,0,0,0,0|2,0,0]=4 6776 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [2,0,0,0,0,0|2,0,0]=4 6777 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [2,0,0,0,0,0|2,0,0]=4 6778 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [2,0,0,0,0,0|1,0,0]=3 6779 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [2,0,0,0,0,0|2,0,0]=4 6780 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [2,0,0,0,0,0|2,0,0]=4 6781 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [2,0,0,0,0,0|2,0,0]=4 6782 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [2,0,0,0,0,0|2,0,0]=4 6783 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [2,0,0,0,0,0|2,0,0]=4 6784 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [2,0,0,0,0,0|2,0,0]=4 6785 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [2,0,0,0,0,0|2,0,0]=4 6786 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [2,0,0,0,0,0|2,0,0]=4 6787 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [2,0,0,0,0,0|2,0,0]=4 6788 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [2,0,0,0,0,0|2,0,0]=4 6789 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [2,0,0,0,0,0|2,0,0]=4 6790 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [2,0,0,0,0,0|2,0,0]=4 6791 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [2,0,0,0,0,0|2,0,0]=4 6792 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [2,0,0,0,0,0|2,0,0]=4 6793 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [2,0,0,0,0,0|2,0,0]=4 6794 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [2,0,0,0,0,0|2,0,0]=4 6795 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [2,0,0,0,0,0|2,0,0]=4 6796 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [2,0,0,0,0,0|2,0,0]=4 6797 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [2,0,0,0,0,0|2,0,0]=4 6798 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [2,0,0,0,0,0|2,0,0]=4 6799 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [2,0,0,0,0,0|2,0,0]=4 6800 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [2,0,0,0,0,0|2,0,0]=4 6801 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [2,0,0,0,0,0|2,0,0]=4 6802 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [2,0,0,0,0,0|2,0,0]=4 6803 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [2,0,0,0,0,0|2,0,0]=4 6804 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [2,0,0,0,0,0|2,0,0]=4 6805 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [2,0,0,0,0,0|1,0,0]=3 6806 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [2,0,0,0,0,0|1,0,0]=3 6807 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [2,0,0,0,0,0|2,0,0]=4 6808 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [2,0,0,0,0,0|2,0,0]=4 6809 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [2,0,0,0,0,0|2,0,0]=4 6810 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [2,0,0,0,0,0|2,0,0]=4 6811 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [2,0,0,0,0,0|2,0,0]=4 6812 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [2,0,0,0,0,0|2,0,0]=4 6813 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [2,0,0,0,0,0|2,0,0]=4 6814 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [2,0,0,0,0,0|2,0,0]=4 6815 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [2,0,0,0,0,0|2,0,0]=4 6816 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [2,0,0,0,0,0|2,0,0]=4 6817 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [2,0,0,0,0,0|2,0,0]=4 6818 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [2,0,0,0,0,0|2,0,0]=4 6819 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [2,0,0,0,0,0|2,0,0]=4 6820 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [2,0,0,0,0,0|2,0,0]=4 6821 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [2,0,0,0,0,0|1,0,0]=3 6822 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [2,0,0,0,0,0|1,0,0]=3 6823 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [2,0,0,0,0,0|1,0,0]=3 6824 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [2,0,0,0,0,0|1,0,0]=3 6825 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [2,0,0,0,0,0|1,0,0]=3 6826 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [2,0,0,0,0,0|2,0,0]=4 6827 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [2,0,0,0,0,0|2,0,0]=4 6828 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [2,0,0,0,0,0|2,0,0]=4 6829 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [2,0,0,0,0,0|2,0,0]=4 6830 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [2,0,0,0,0,0|2,0,0]=4 6831 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [2,0,0,0,0,0|2,0,0]=4 6832 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [2,0,0,0,0,0|2,0,0]=4 6833 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [2,0,0,0,0,0|1,0,0]=3 6834 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [2,0,0,0,0,0|2,0,0]=4 6835 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [2,0,0,0,0,0|2,0,0]=4 6836 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [2,0,0,0,0,0|2,0,0]=4 6837 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [2,0,0,0,0,0|2,0,0]=4 6838 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [2,0,0,0,0,0|2,0,0]=4 6839 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [2,0,0,0,0,0|2,0,0]=4 6840 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [2,0,0,0,0,0|2,0,0]=4 6841 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [2,0,0,0,0,0|2,0,0]=4 6842 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [2,0,0,0,0,0|2,0,0]=4 6843 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [2,0,0,0,0,0|2,0,0]=4 6844 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [2,0,0,0,0,0|2,0,0]=4 6845 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [2,0,0,0,0,0|2,0,0]=4 6846 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [2,0,0,0,0,0|2,0,0]=4 6847 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [2,0,0,0,0,0|2,0,0]=4 6848 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [2,0,0,0,0,0|2,0,0]=4 6849 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [2,0,0,0,0,0|2,0,0]=4 6850 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [2,0,0,0,0,0|2,0,0]=4 6851 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [2,0,0,0,0,0|2,0,0]=4 6852 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [2,0,0,0,0,0|2,0,0]=4 6853 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [2,0,0,0,0,0|2,0,0]=4 6854 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [2,0,0,0,0,0|2,0,0]=4 6855 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [2,0,0,0,0,0|2,0,0]=4 6856 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [2,0,0,0,0,0|2,0,0]=4 6857 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [2,0,0,0,0,0|2,0,0]=4 6858 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [2,0,0,0,0,0|2,0,0]=4 6859 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [2,0,0,0,0,0|2,0,0]=4 6860 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [2,0,0,0,0,0|2,0,0]=4 6861 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [2,0,0,0,0,0|2,0,0]=4 6862 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [2,0,0,0,0,0|2,0,0]=4 6863 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [2,0,0,0,0,0|2,0,0]=4 6864 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [2,0,0,0,0,0|2,0,0]=4 6865 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [2,0,0,0,0,0|1,0,0]=3 6866 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [2,0,0,0,0,0|1,0,0]=3 6867 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [2,0,0,0,0,0|2,0,0]=4 6868 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [2,0,0,0,0,0|2,0,0]=4 6869 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [2,0,0,0,0,0|2,0,0]=4 6870 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [2,0,0,0,0,0|2,0,0]=4 6871 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [2,0,0,0,0,0|2,0,0]=4 6872 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [2,0,0,0,0,0|2,0,0]=4 6873 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [2,0,0,0,0,0|2,0,0]=4 6874 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [2,0,0,0,0,0|2,0,0]=4 6875 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [2,0,0,0,0,0|2,0,0]=4 6876 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [2,0,0,0,0,0|2,0,0]=4 6877 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [2,0,0,0,0,0|2,0,0]=4 6878 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [2,0,0,0,0,0|2,0,0]=4 6879 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [2,0,0,0,0,0|2,0,0]=4 6880 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [2,0,0,0,0,0|2,0,0]=4 6881 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [2,0,0,0,0,0|2,0,0]=4 6882 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [2,0,0,0,0,0|2,0,0]=4 6883 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [2,0,0,0,0,0|2,0,0]=4 6884 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [2,0,0,0,0,0|2,0,0]=4 6885 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [2,0,0,0,0,0|2,0,0]=4 6886 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 6887 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 6888 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 6889 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [2,0,0,0,0,0|2,0,0]=4 6890 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 6891 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 6892 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [2,0,0,0,0,0|2,0,0]=4 6893 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [2,0,0,0,0,0|2,0,0]=4 6894 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [2,0,0,0,0,0|2,0,0]=4 6895 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [2,0,0,0,0,0|2,0,0]=4 6896 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [2,0,0,0,0,0|2,0,0]=4 6897 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [2,0,0,0,0,0|2,0,0]=4 6898 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [2,0,0,0,0,0|2,0,0]=4 6899 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [2,0,0,0,0,0|2,0,0]=4 6900 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [2,0,0,0,0,0|2,0,0]=4 6901 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [2,0,0,0,0,0|2,0,0]=4 6902 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [2,0,0,0,0,0|2,0,0]=4 6903 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [2,0,0,0,0,0|2,0,0]=4 6904 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [2,0,0,0,0,0|2,0,0]=4 6905 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [2,0,0,0,0,0|2,0,0]=4 6906 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [2,0,0,0,0,0|2,0,0]=4 6907 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [2,0,0,0,0,0|2,0,0]=4 6908 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [2,0,0,0,0,0|2,0,0]=4 6909 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [2,0,0,0,0,0|2,0,0]=4 6910 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [2,0,0,0,0,0|2,0,0]=4 6911 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [2,0,0,0,0,0|2,0,0]=4 6912 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [2,0,0,0,0,0|2,0,0]=4 6913 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [2,0,0,0,0,0|2,0,0]=4 6914 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [2,0,0,0,0,0|2,0,0]=4 6915 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [2,0,0,0,0,0|2,0,0]=4 6916 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [2,0,0,0,0,0|2,0,0]=4 6917 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [2,0,0,0,0,0|2,0,0]=4 6918 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 6919 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [2,0,0,0,0,0|2,0,0]=4 6920 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [2,0,0,0,0,0|2,0,0]=4 6921 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [2,0,0,0,0,0|2,0,0]=4 6922 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [2,0,0,0,0,0|2,0,0]=4 6923 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [2,0,0,0,0,0|2,0,0]=4 6924 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [2,0,0,0,0,0|2,0,0]=4 6925 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [2,0,0,0,0,0|2,0,0]=4 6926 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [2,0,0,0,0,0|2,0,0]=4 6927 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [2,0,0,0,0,0|2,0,0]=4 6928 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [2,0,0,0,0,0|2,0,0]=4 6929 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [2,0,0,0,0,0|2,0,0]=4 6930 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [2,0,0,0,0,0|2,0,0]=4 6931 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [2,0,0,0,0,0|2,0,0]=4 6932 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 6933 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [2,0,0,0,0,0|2,0,0]=4 6934 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 6935 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [2,0,0,0,0,0|2,0,0]=4 6936 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [2,0,0,0,0,0|2,0,0]=4 6937 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [2,0,0,0,0,0|2,0,0]=4 6938 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [2,0,0,0,0,0|2,0,0]=4 6939 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [2,0,0,0,0,0|2,0,0]=4 6940 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [2,0,0,0,0,0|2,0,0]=4 6941 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [2,0,0,0,0,0|2,0,0]=4 6942 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [2,0,0,0,0,0|2,0,0]=4 6943 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [2,0,0,0,0,0|2,0,0]=4 6944 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 6945 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 6946 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [2,0,0,0,0,0|2,0,0]=4 6947 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [2,0,0,0,0,0|2,0,0]=4 6948 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [2,0,0,0,0,0|2,0,0]=4 6949 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [2,0,0,0,0,0|2,0,0]=4 6950 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [2,0,0,0,0,0|2,0,0]=4 6951 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [2,0,0,0,0,0|2,0,0]=4 6952 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [2,0,0,0,0,0|2,0,0]=4 6953 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [2,0,0,0,0,0|2,0,0]=4 6954 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [2,0,0,0,0,0|2,0,0]=4 6955 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [2,0,0,0,0,0|2,0,0]=4 6956 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 6957 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [2,0,0,0,0,0|2,0,0]=4 6958 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 6959 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [2,0,0,0,0,0|2,0,0]=4 6960 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [2,0,0,0,0,0|2,0,0]=4 6961 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [2,0,0,0,0,0|2,0,0]=4 6962 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [2,0,0,0,0,0|2,0,0]=4 6963 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [2,0,0,0,0,0|2,0,0]=4 6964 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [2,0,0,0,0,0|2,0,0]=4 6965 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [2,0,0,0,0,0|2,0,0]=4 6966 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [2,0,0,0,0,0|2,0,0]=4 6967 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [2,0,0,0,0,0|2,0,0]=4 6968 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [2,0,0,0,0,0|2,0,0]=4 6969 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [2,0,0,0,0,0|2,0,0]=4 6970 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [2,0,0,0,0,0|2,0,0]=4 6971 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 6972 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 6973 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [2,0,0,0,0,0|2,0,0]=4 6974 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [2,0,0,0,0,0|2,0,0]=4 6975 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [2,0,0,0,0,0|2,0,0]=4 6976 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [2,0,0,0,0,0|2,0,0]=4 6977 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [2,0,0,0,0,0|2,0,0]=4 6978 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [2,0,0,0,0,0|2,0,0]=4 6979 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [2,0,0,0,0,0|2,0,0]=4 6980 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [2,0,0,0,0,0|2,0,0]=4 6981 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [2,0,0,0,0,0|2,0,0]=4 6982 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [2,0,0,0,0,0|2,0,0]=4 6983 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [2,0,0,0,0,0|2,0,0]=4 6984 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [2,0,0,0,0,0|2,0,0]=4 6985 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [2,0,0,0,0,0|2,0,0]=4 6986 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [2,0,0,0,0,0|2,0,0]=4 6987 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [2,0,0,0,0,0|2,0,0]=4 6988 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [2,0,0,0,0,0|2,0,0]=4 6989 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [2,0,0,0,0,0|2,0,0]=4 6990 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [2,0,0,0,0,0|2,0,0]=4 6991 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [2,0,0,0,0,0|2,0,0]=4 6992 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [2,0,0,0,0,0|2,0,0]=4 6993 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [2,0,0,0,0,0|2,0,0]=4 6994 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [2,0,0,0,0,0|2,0,0]=4 6995 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [2,0,0,0,0,0|2,0,0]=4 6996 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [2,0,0,0,0,0|2,0,0]=4 6997 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [2,0,0,0,0,0|2,0,0]=4 6998 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [2,0,0,0,0,0|1,0,0]=3 6999 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [2,0,0,0,0,0|1,0,0]=3 7000 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [2,0,0,0,0,0|2,0,0]=4 7001 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [2,0,0,0,0,0|2,0,0]=4 7002 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [2,0,0,0,0,0|2,0,0]=4 7003 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [2,0,0,0,0,0|2,0,0]=4 7004 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [2,0,0,0,0,0|2,0,0]=4 7005 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [2,0,0,0,0,0|1,0,0]=3 7006 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [2,0,0,0,0,0|1,0,0]=3 7007 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [2,0,0,0,0,0|2,0,0]=4 7008 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [2,0,0,0,0,0|2,0,0]=4 7009 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [2,0,0,0,0,0|1,0,0]=3 7010 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [2,0,0,0,0,0|1,0,0]=3 7011 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [2,0,0,0,0,0|1,0,0]=3 7012 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 7013 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 7014 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 7015 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [2,0,0,0,0,0|2,0,0]=4 7016 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [2,0,0,0,0,0|2,0,0]=4 7017 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [2,0,0,0,0,0|2,0,0]=4 7018 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [2,0,0,0,0,0|2,0,0]=4 7019 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [2,0,0,0,0,0|1,0,0]=3 7020 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [2,0,0,0,0,0|1,0,1]=4 7021 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [2,0,0,0,0,0|2,0,0]=4 7022 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [2,0,0,0,0,0|2,0,0]=4 7023 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 7024 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 7025 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [2,0,0,0,0,0|2,0,0]=4 7026 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [2,0,0,0,0,0|1,0,1]=4 7027 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [2,0,0,0,0,0|2,0,0]=4 7028 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [2,0,0,0,0,0|2,0,0]=4 7029 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [2,0,0,0,0,0|1,0,1]=4 7030 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [2,0,0,0,0,0|1,0,1]=4 7031 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [2,0,0,0,0,0|2,0,0]=4 7032 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [2,0,0,0,0,0|2,0,0]=4 7033 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 7034 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [2,0,0,0,0,0|2,0,0]=4 7035 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 7036 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [2,0,0,0,0,0|2,0,0]=4 7037 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 7038 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [2,0,0,0,0,0|2,0,0]=4 7039 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 7040 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [2,0,0,0,0,0|2,0,0]=4 7041 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [2,0,0,0,0,0|2,0,0]=4 7042 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [2,0,0,0,0,0|2,0,0]=4 7043 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [2,0,0,0,0,0|2,0,0]=4 7044 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [2,0,0,0,0,0|2,0,0]=4 7045 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [2,0,0,0,0,0|2,0,0]=4 7046 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 7047 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [2,0,0,0,0,0|2,0,0]=4 7048 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 7049 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 7050 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 7051 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [2,0,0,0,0,0|2,0,0]=4 7052 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [2,0,0,0,0,0|2,0,0]=4 7053 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [2,0,0,0,0,0|2,0,0]=4 7054 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [2,0,0,0,0,0|2,0,0]=4 7055 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [2,0,0,0,0,0|2,0,0]=4 7056 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [2,0,0,0,0,0|2,0,0]=4 7057 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [2,0,0,0,0,0|2,0,0]=4 7058 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [2,0,0,0,0,0|2,0,0]=4 7059 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [2,0,0,0,0,0|2,0,0]=4 7060 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [2,0,0,0,0,0|2,0,0]=4 7061 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [2,0,0,0,0,0|2,0,0]=4 7062 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [2,0,0,0,0,0|2,0,0]=4 7063 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [2,0,0,0,0,0|2,0,0]=4 7064 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [2,0,0,0,0,0|2,0,0]=4 7065 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [2,0,0,0,0,0|2,0,0]=4 7066 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 7067 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [2,0,0,0,0,0|2,0,0]=4 7068 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 7069 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [2,0,0,0,0,0|1,0,1]=4 7070 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [2,0,0,0,0,0|2,0,0]=4 7071 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [2,0,0,0,0,0|2,0,0]=4 7072 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [2,0,0,0,0,0|2,0,0]=4 7073 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [2,0,0,0,0,0|2,0,0]=4 7074 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [2,0,0,0,0,0|2,0,0]=4 7075 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [1,1,0,0,0,0|1,0,1]=4 7076 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [1,1,0,0,0,0|1,0,1]=4 7077 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [1,1,0,0,0,0|2,0,0]=4 7078 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 7079 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 7080 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [1,1,0,0,0,0|2,0,0]=4 7081 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 7082 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [1,1,0,0,0,0|2,0,0]=4 7083 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 7084 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [1,1,0,0,0,0|2,0,0]=4 7085 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [1,1,0,0,0,0|2,0,0]=4 7086 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [1,1,0,0,0,0|2,0,0]=4 7087 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [1,1,0,0,0,0|2,0,0]=4 7088 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [1,1,0,0,0,0|2,0,0]=4 7089 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [1,1,0,0,0,0|2,0,0]=4 7090 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [1,1,0,0,0,0|2,0,0]=4 7091 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [1,1,0,0,0,0|1,0,0]=3 7092 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [1,1,0,0,0,0|1,0,1]=4 7093 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [1,1,0,0,0,0|2,0,0]=4 7094 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [1,1,0,0,0,0|2,0,0]=4 7095 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [1,1,0,0,0,0|2,0,0]=4 7096 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [1,1,0,0,0,0|2,0,0]=4 7097 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [1,1,0,0,0,0|2,0,0]=4 7098 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [1,1,0,0,0,0|2,0,0]=4 7099 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [1,1,0,0,0,0|2,0,0]=4 7100 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [1,1,0,0,0,0|2,0,0]=4 7101 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 7102 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [1,1,0,0,0,0|2,0,0]=4 7103 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 7104 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [1,1,0,0,0,0|2,0,0]=4 7105 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [1,1,0,0,0,0|2,0,0]=4 7106 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [1,1,0,0,0,0|2,0,0]=4 7107 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 7108 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 7109 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [1,1,0,0,0,0|1,0,1]=4 7110 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [1,1,0,0,0,0|2,0,0]=4 7111 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [1,1,0,0,0,0|2,0,0]=4 7112 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [1,1,0,0,0,0|2,0,0]=4 7113 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [1,1,0,0,0,0|2,0,0]=4 7114 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 7115 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 7116 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [1,1,0,0,0,0|2,0,0]=4 7117 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [1,1,0,0,0,0|2,0,0]=4 7118 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [1,1,0,0,0,0|2,0,0]=4 7119 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [1,1,0,0,0,0|2,0,0]=4 7120 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 7121 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 7122 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 7123 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 7124 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 7125 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 7126 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 7127 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 7128 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [1,1,0,0,0,0|1,0,1]=4 7129 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [1,1,0,0,0,0|2,0,0]=4 7130 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [1,1,0,0,0,0|2,0,0]=4 7131 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 7132 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 7133 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [1,1,0,0,0,0|1,0,1]=4 7134 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [1,1,0,0,0,0|2,0,0]=4 7135 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [1,1,0,0,0,0|2,0,0]=4 7136 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 7137 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 7138 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [1,1,0,0,0,0|1,0,1]=4 7139 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [1,1,0,0,0,0|2,0,0]=4 7140 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [1,1,0,0,0,0|2,0,0]=4 7141 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [1,1,0,0,0,0|2,0,0]=4 7142 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 7143 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 7144 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 7145 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 7146 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [1,1,0,0,0,0|1,0,1]=4 7147 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [1,1,0,0,0,0|2,0,0]=4 7148 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [1,1,0,0,0,0|2,0,0]=4 7149 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [1,1,0,0,0,0|2,0,0]=4 7150 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [1,1,0,0,0,0|1,0,1]=4 7151 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [1,1,0,0,0,0|2,0,0]=4 7152 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [1,1,0,0,0,0|2,0,0]=4 7153 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [1,1,0,0,0,0|2,0,0]=4 7154 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [1,1,0,0,0,0|2,0,0]=4 7155 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [1,1,0,0,0,0|2,0,0]=4 7156 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 7157 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 7158 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [1,1,0,0,0,0|2,0,0]=4 7159 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [1,1,0,0,0,0|2,0,0]=4 7160 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 7161 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 7162 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [1,1,0,0,0,0|2,0,0]=4 7163 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [1,1,0,0,0,0|2,0,0]=4 7164 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [1,1,0,0,0,0|2,0,0]=4 7165 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [1,1,0,0,0,0|2,0,0]=4 7166 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [1,1,0,0,0,0|2,0,0]=4 7167 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [1,1,0,0,0,0|1,0,0]=3 7168 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [1,1,0,0,0,0|2,0,0]=4 7169 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [1,1,0,0,0,0|1,0,0]=3 7170 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [1,1,0,0,0,0|2,0,0]=4 7171 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [1,1,0,0,0,0|2,0,0]=4 7172 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [1,1,0,0,0,0|2,0,0]=4 7173 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [1,1,0,0,0,0|0,0,2]=4 7174 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [1,1,0,0,0,0|2,0,0]=4 7175 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [1,1,0,0,0,0|1,0,0]=3 7176 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [1,1,0,0,0,0|1,0,0]=3 7177 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [1,1,0,0,0,0|1,0,0]=3 7178 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [1,1,0,0,0,0|0,0,0]=2 7179 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [1,1,0,0,0,0|1,0,0]=3 7180 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 7181 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 7182 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 7183 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 7184 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 7185 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 7186 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 7187 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 7188 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 7189 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 7190 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 7191 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 7192 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [1,1,0,0,0,0|2,0,0]=4 7193 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 7194 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 7195 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 7196 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 7197 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [1,1,0,0,0,0|2,0,0]=4 7198 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 7199 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [1,1,0,0,0,0|2,0,0]=4 7200 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 7201 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 7202 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 7203 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [1,1,0,0,0,0|2,0,0]=4 7204 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [1,1,0,0,0,0|2,0,0]=4 7205 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 7206 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [1,1,0,0,0,0|2,0,0]=4 7207 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 7208 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 7209 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 7210 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [1,1,0,0,0,0|2,0,0]=4 7211 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [1,1,0,0,0,0|2,0,0]=4 7212 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [1,1,0,0,0,0|1,0,0]=3 7213 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [1,1,0,0,0,0|2,0,0]=4 7214 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 7215 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [1,1,0,0,0,0|2,0,0]=4 7216 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 7217 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [1,1,0,0,0,0|1,0,0]=3 7218 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [1,1,0,0,0,0|1,0,0]=3 7219 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [1,1,0,0,0,0|2,0,0]=4 7220 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [1,1,0,0,0,0|2,0,0]=4 7221 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [1,1,0,0,0,0|2,0,0]=4 7222 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [1,1,0,0,0,0|2,0,0]=4 7223 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [1,1,0,0,0,0|1,0,0]=3 7224 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [1,1,0,0,0,0|1,0,0]=3 7225 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [1,1,0,0,0,0|2,0,0]=4 7226 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [1,1,0,0,0,0|2,0,0]=4 7227 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [1,1,0,0,0,0|1,0,0]=3 7228 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [1,1,0,0,0,0|1,0,0]=3 7229 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [1,1,0,0,0,0|2,0,0]=4 7230 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [1,1,0,0,0,0|2,0,0]=4 7231 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [1,1,0,0,0,0|2,0,0]=4 7232 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [1,1,0,0,0,0|2,0,0]=4 7233 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [1,1,0,0,0,0|1,0,0]=3 7234 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 7235 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 7236 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [1,1,0,0,0,0|2,0,0]=4 7237 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [1,1,0,0,0,0|1,0,0]=3 7238 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [1,1,0,0,0,0|1,0,0]=3 7239 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [1,1,0,0,0,0|2,0,0]=4 7240 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [1,1,0,0,0,0|2,0,0]=4 7241 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [1,1,0,0,0,0|2,0,0]=4 7242 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [1,1,0,0,0,0|2,0,0]=4 7243 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [1,1,0,0,0,0|1,0,0]=3 7244 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [1,1,0,0,0,0|1,0,0]=3 7245 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [1,1,0,0,0,0|1,0,0]=3 7246 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [1,1,0,0,0,0|2,0,0]=4 7247 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 7248 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 7249 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 7250 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 7251 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 7252 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 7253 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 7254 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 7255 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [1,1,0,0,0,0|1,0,0]=3 7256 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [1,1,0,0,0,0|1,0,0]=3 7257 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [1,1,0,0,0,0|2,0,0]=4 7258 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [1,1,0,0,0,0|2,0,0]=4 7259 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [1,1,0,0,0,0|1,0,0]=3 7260 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [1,1,0,0,0,0|2,0,0]=4 7261 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [1,1,0,0,0,0|1,0,0]=3 7262 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 7263 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [1,1,0,0,0,0|1,0,0]=3 7264 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 7265 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [1,1,0,0,0,0|2,0,0]=4 7266 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [1,1,0,0,0,0|2,0,0]=4 7267 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [1,1,0,0,0,0|1,0,0]=3 7268 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [1,1,0,0,0,0|1,0,0]=3 7269 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [1,1,0,0,0,0|1,0,0]=3 7270 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [1,1,0,0,0,0|1,0,0]=3 7271 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [1,1,0,0,0,0|2,0,0]=4 7272 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 7273 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [1,1,0,0,0,0|1,0,0]=3 7274 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 7275 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [1,1,0,0,0,0|1,0,0]=3 7276 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 7277 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 7278 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [1,1,0,0,0,0|2,0,0]=4 7279 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [1,1,0,0,0,0|2,0,0]=4 7280 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [1,1,0,0,0,0|2,0,0]=4 7281 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [1,1,0,0,0,0|2,0,0]=4 7282 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [1,1,0,0,0,0|2,0,0]=4 7283 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [1,1,0,0,0,0|2,0,0]=4 7284 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [1,1,0,0,0,0|2,0,0]=4 7285 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [1,1,0,0,0,0|2,0,0]=4 7286 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [1,1,0,0,0,0|2,0,0]=4 7287 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [1,1,0,0,0,0|2,0,0]=4 7288 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [1,1,0,0,0,0|2,0,0]=4 7289 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [1,1,0,0,0,0|1,0,0]=3 7290 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [1,1,0,0,0,0|1,0,0]=3 7291 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [1,1,0,0,0,0|2,0,0]=4 7292 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [1,1,0,0,0,0|2,0,0]=4 7293 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [1,1,0,0,0,0|2,0,0]=4 7294 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [1,1,0,0,0,0|1,0,0]=3 7295 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 7296 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 7297 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [1,1,0,0,0,0|2,0,0]=4 7298 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [1,1,0,0,0,0|2,0,0]=4 7299 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 7300 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 7301 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 7302 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 7303 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 7304 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 7305 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [1,1,0,0,0,0|2,0,0]=4 7306 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [1,1,0,0,0,0|2,0,0]=4 7307 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [1,1,0,0,0,0|1,0,0]=3 7308 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [1,1,0,0,0,0|1,0,0]=3 7309 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [1,1,0,0,0,0|2,0,0]=4 7310 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 7311 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 7312 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [1,1,0,0,0,0|1,0,0]=3 7313 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 7314 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [1,1,0,0,0,0|1,0,0]=3 7315 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 7316 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 7317 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 7318 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 7319 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 7320 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 7321 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 7322 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [1,1,0,0,0,0|2,0,0]=4 7323 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [1,1,0,0,0,0|2,0,0]=4 7324 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 7325 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 7326 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [1,1,0,0,0,0|2,0,0]=4 7327 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 7328 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [1,1,0,0,0,0|2,0,0]=4 7329 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 7330 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [1,1,0,0,0,0|2,0,0]=4 7331 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [1,1,0,0,0,0|2,0,0]=4 7332 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [1,1,0,0,0,0|2,0,0]=4 7333 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [1,1,0,0,0,0|2,0,0]=4 7334 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [1,1,0,0,0,0|1,0,0]=3 7335 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [1,1,0,0,0,0|1,0,0]=3 7336 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 7337 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 7338 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [1,1,0,0,0,0|2,0,0]=4 7339 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 7340 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 7341 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 7342 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 7343 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [1,1,0,0,0,0|2,0,0]=4 7344 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [1,1,0,0,0,0|2,0,0]=4 7345 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [1,1,0,0,0,0|2,0,0]=4 7346 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 7347 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [1,1,0,0,0,0|1,0,0]=3 7348 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 7349 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [1,1,0,0,0,0|2,0,0]=4 7350 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [1,1,0,0,0,0|2,0,0]=4 7351 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [1,1,0,0,0,0|1,0,0]=3 7352 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [1,1,0,0,0,0|1,0,0]=3 7353 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [1,1,0,0,0,0|2,0,0]=4 7354 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [1,1,0,0,0,0|2,0,0]=4 7355 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [1,1,0,0,0,0|2,0,0]=4 7356 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [1,1,0,0,0,0|2,0,0]=4 7357 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [1,1,0,0,0,0|2,0,0]=4 7358 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [1,1,0,0,0,0|2,0,0]=4 7359 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [1,1,0,0,0,0|2,0,0]=4 7360 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [1,1,0,0,0,0|2,0,0]=4 7361 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [1,1,0,0,0,0|2,0,0]=4 7362 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [1,1,0,0,0,0|2,0,0]=4 7363 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [1,1,0,0,0,0|2,0,0]=4 7364 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [1,1,0,0,0,0|2,0,0]=4 7365 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [1,1,0,0,0,0|2,0,0]=4 7366 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [1,1,0,0,0,0|2,0,0]=4 7367 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [1,1,0,0,0,0|2,0,0]=4 7368 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [1,1,0,0,0,0|2,0,0]=4 7369 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [1,1,0,0,0,0|2,0,0]=4 7370 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [1,1,0,0,0,0|2,0,0]=4 7371 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [1,1,0,0,0,0|2,0,0]=4 7372 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [1,1,0,0,0,0|2,0,0]=4 7373 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [1,1,0,0,0,0|2,0,0]=4 7374 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [1,1,0,0,0,0|2,0,0]=4 7375 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [1,1,0,0,0,0|2,0,0]=4 7376 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [1,1,0,0,0,0|2,0,0]=4 7377 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [1,1,0,0,0,0|2,0,0]=4 7378 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [1,1,0,0,0,0|2,0,0]=4 7379 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [1,1,0,0,0,0|2,0,0]=4 7380 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [1,1,0,0,0,0|2,0,0]=4 7381 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [1,1,0,0,0,0|2,0,0]=4 7382 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [1,1,0,0,0,0|2,0,0]=4 7383 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [1,1,0,0,0,0|2,0,0]=4 7384 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 7385 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 7386 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 7387 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 7388 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [1,1,0,0,0,0|2,0,0]=4 7389 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [1,1,0,0,0,0|2,0,0]=4 7390 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [1,1,0,0,0,0|2,0,0]=4 7391 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [1,1,0,0,0,0|2,0,0]=4 7392 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [1,1,0,0,0,0|2,0,0]=4 7393 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [1,1,0,0,0,0|2,0,0]=4 7394 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 7395 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 7396 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [1,1,0,0,0,0|2,0,0]=4 7397 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [1,1,0,0,0,0|2,0,0]=4 7398 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 7399 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 7400 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [1,1,0,0,0,0|2,0,0]=4 7401 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [1,1,0,0,0,0|2,0,0]=4 7402 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [1,1,0,0,0,0|2,0,0]=4 7403 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [1,1,0,0,0,0|2,0,0]=4 7404 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [1,1,0,0,0,0|2,0,0]=4 7405 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 7406 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [1,1,0,0,0,0|2,0,0]=4 7407 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [1,1,0,0,0,0|2,0,0]=4 7408 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 7409 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 7410 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [1,1,0,0,0,0|2,0,0]=4 7411 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [1,1,0,0,0,0|2,0,0]=4 7412 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 7413 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [1,1,0,0,0,0|2,0,0]=4 7414 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 7415 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 7416 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [1,1,0,0,0,0|2,0,0]=4 7417 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [1,1,0,0,0,0|2,0,0]=4 7418 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 7419 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 7420 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [1,1,0,0,0,0|2,0,0]=4 7421 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [1,1,0,0,0,0|2,0,0]=4 7422 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [1,1,0,0,0,0|2,0,0]=4 7423 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [1,1,0,0,0,0|2,0,0]=4 7424 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 7425 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [1,1,0,0,0,0|2,0,0]=4 7426 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [1,1,0,0,0,0|2,0,0]=4 7427 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 7428 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 7429 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [1,1,0,0,0,0|2,0,0]=4 7430 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [1,1,0,0,0,0|2,0,0]=4 7431 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [1,1,0,0,0,0|2,0,0]=4 7432 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 7433 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [1,1,0,0,0,0|2,0,0]=4 7434 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 7435 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [1,1,0,0,0,0|2,0,0]=4 7436 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [1,1,0,0,0,0|2,0,0]=4 7437 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [1,1,0,0,0,0|2,0,0]=4 7438 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [1,1,0,0,0,0|2,0,0]=4 7439 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [1,1,0,0,0,0|2,0,0]=4 7440 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [1,1,0,0,0,0|2,0,0]=4 7441 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 7442 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [1,1,0,0,0,0|2,0,0]=4 7443 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [1,1,0,0,0,0|2,0,0]=4 7444 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [1,1,0,0,0,0|2,0,0]=4 7445 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [1,1,0,0,0,0|2,0,0]=4 7446 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [1,1,0,0,0,0|2,0,0]=4 7447 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 7448 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [1,1,0,0,0,0|2,0,0]=4 7449 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [1,1,0,0,0,0|2,0,0]=4 7450 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 7451 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [1,1,0,0,0,0|2,0,0]=4 7452 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [1,1,0,0,0,0|2,0,0]=4 7453 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 7454 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 7455 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [1,1,0,0,0,0|2,0,0]=4 7456 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [1,1,0,0,0,0|2,0,0]=4 7457 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 7458 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 7459 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 7460 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 7461 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [1,1,0,0,0,0|2,0,0]=4 7462 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [1,1,0,0,0,0|1,0,0]=3 7463 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [1,1,0,0,0,0|2,0,0]=4 7464 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [1,1,0,0,0,0|2,0,0]=4 7465 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [1,1,0,0,0,0|2,0,0]=4 7466 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [1,1,0,0,0,0|2,0,0]=4 7467 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [1,1,0,0,0,0|2,0,0]=4 7468 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [1,1,0,0,0,0|2,0,0]=4 7469 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [1,1,0,0,0,0|2,0,0]=4 7470 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [1,1,0,0,0,0|2,0,0]=4 7471 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [1,1,0,0,0,0|2,0,0]=4 7472 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [1,1,0,0,0,0|2,0,0]=4 7473 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [1,1,0,0,0,0|2,0,0]=4 7474 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [1,1,0,0,0,0|2,0,0]=4 7475 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 7476 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [1,1,0,0,0,0|2,0,0]=4 7477 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 7478 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [1,1,0,0,0,0|2,0,0]=4 7479 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [1,1,0,0,0,0|2,0,0]=4 7480 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [1,1,0,0,0,0|2,0,0]=4 7481 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [1,1,0,0,0,0|2,0,0]=4 7482 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [1,1,0,0,0,0|2,0,0]=4 7483 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [1,1,0,0,0,0|2,0,0]=4 7484 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [1,1,0,0,0,0|2,0,0]=4 7485 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [1,1,0,0,0,0|2,0,0]=4 7486 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [1,1,0,0,0,0|2,0,0]=4 7487 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [1,1,0,0,0,0|2,0,0]=4 7488 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [1,1,0,0,0,0|1,0,0]=3 7489 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [1,1,0,0,0,0|2,0,0]=4 7490 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [1,1,0,0,0,0|2,0,0]=4 7491 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 7492 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 7493 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 7494 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [1,1,0,0,0,0|2,0,0]=4 7495 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [1,1,0,0,0,0|2,0,0]=4 7496 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 7497 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 7498 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 7499 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 7500 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [1,1,0,0,0,0|1,0,1]=4 7501 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [1,1,0,0,0,0|1,0,0]=3 7502 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 7503 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 7504 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [1,1,0,0,0,0|2,0,0]=4 7505 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [1,1,0,0,0,0|2,0,0]=4 7506 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 7507 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 7508 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 7509 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 7510 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [1,1,0,0,0,0|1,0,1]=4 7511 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [1,1,0,0,0,0|1,0,1]=4 7512 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [1,1,0,0,0,0|2,0,0]=4 7513 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [1,1,0,0,0,0|2,0,0]=4 7514 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [1,1,0,0,0,0|2,0,0]=4 7515 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [1,1,0,0,0,0|2,0,0]=4 7516 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [1,1,0,0,0,0|2,0,0]=4 7517 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [1,1,0,0,0,0|1,0,1]=4 7518 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [1,1,0,0,0,0|1,0,0]=3 7519 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [1,1,0,0,0,0|1,0,0]=3 7520 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 7521 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 7522 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [1,1,0,0,0,0|2,0,0]=4 7523 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [1,1,0,0,0,0|2,0,0]=4 7524 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [1,1,0,0,0,0|2,0,0]=4 7525 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [1,1,0,0,0,0|2,0,0]=4 7526 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [1,1,0,0,0,0|2,0,0]=4 7527 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [1,1,0,0,0,0|1,0,1]=4 7528 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 7529 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 7530 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [1,1,0,0,0,0|1,0,1]=4 7531 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [1,1,0,0,0,0|2,0,0]=4 7532 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 7533 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [1,1,0,0,0,0|2,0,0]=4 7534 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 7535 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [1,1,0,0,0,0|1,0,1]=4 7536 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [1,1,0,0,0,0|1,0,1]=4 7537 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [1,1,0,0,0,0|0,0,2]=4 7538 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [1,1,0,0,0,0|2,0,0]=4 7539 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [1,1,0,0,0,0|2,0,0]=4 7540 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [1,1,0,0,0,0|2,0,0]=4 7541 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [1,1,0,0,0,0|1,0,0]=3 7542 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [1,1,0,0,0,0|1,0,1]=4 7543 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [1,1,0,0,0,0|1,0,0]=3 7544 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [1,1,0,0,0,0|2,0,0]=4 7545 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [1,1,0,0,0,0|2,0,0]=4 7546 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [1,1,0,0,0,0|2,0,0]=4 7547 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [1,1,0,0,0,0|2,0,0]=4 7548 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [1,1,0,0,0,0|2,0,0]=4 7549 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [1,1,0,0,0,0|2,0,0]=4 7550 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [1,1,0,0,0,0|2,0,0]=4 7551 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [1,1,0,0,0,0|2,0,0]=4 7552 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [1,1,0,0,0,0|2,0,0]=4 7553 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [1,1,0,0,0,0|2,0,0]=4 7554 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [1,1,0,0,0,0|2,0,0]=4 7555 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [1,1,0,0,0,0|2,0,0]=4 7556 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [1,1,0,0,0,0|2,0,0]=4 7557 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [1,1,0,0,0,0|2,0,0]=4 7558 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [1,1,0,0,0,0|1,0,1]=4 7559 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [1,1,0,0,0,0|2,0,0]=4 7560 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [1,1,0,0,0,0|2,0,0]=4 7561 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [1,1,0,0,0,0|2,0,0]=4 7562 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [1,1,0,0,0,0|2,0,0]=4 7563 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [1,1,0,0,0,0|1,0,1]=4 7564 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 7565 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 7566 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [1,1,0,0,0,0|1,0,1]=4 7567 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [1,1,0,0,0,0|2,0,0]=4 7568 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [1,1,0,0,0,0|2,0,0]=4 7569 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [1,1,0,0,0,0|2,0,0]=4 7570 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [1,1,0,0,0,0|2,0,0]=4 7571 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 7572 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [1,1,0,0,0,0|2,0,0]=4 7573 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 7574 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 7575 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 7576 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [1,1,0,0,0,0|2,0,0]=4 7577 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [1,1,0,0,0,0|2,0,0]=4 7578 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [1,1,0,0,0,0|2,0,0]=4 7579 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [1,1,0,0,0,0|2,0,0]=4 7580 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [1,1,0,0,0,0|2,0,0]=4 7581 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100000211969_100011215482 [1,1,0,0,0,0|1,0,1]=4 7582 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100011215552_100000210614 [1,1,0,0,0,0|1,0,1]=4 7583 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100011934241_100000210757 [1,1,0,0,0,0|1,0,1]=4 7584 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100102632555_100000700193 [1,1,0,0,0,0|1,0,1]=4 7585 B14R0.145 C=CCCCCCN(C)CCCCCC 2230a_106256046315_100000700193 [1,1,0,0,0,0|2,0,0]=4 7586 B14R0.145 C=CCCCCCN(C)CCCCCC 269982a_106256046315_100000700193 [1,1,0,0,0,0|2,0,0]=4 7587 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100000228206_100011215482 [1,1,0,0,0,0|2,0,0]=4 7588 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100012000471_100000210681 [1,1,0,0,0,0|2,0,0]=4 7589 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100000228206_100011215482 [1,1,0,0,0,0|2,0,0]=4 7590 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100012000471_100000210681 [1,1,0,0,0,0|2,0,0]=4 7591 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000210919_100011215482 [1,1,0,0,0,0|2,0,0]=4 7592 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000703577_100011215978 [1,1,0,0,0,0|2,0,0]=4 7593 B14R0.145 C=CCCCCNC(C)CCCCCC 270004a_100000703577_100000210826 [1,1,0,0,0,0|2,0,0]=4 7594 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000210919_100011215482 [1,1,0,0,0,0|2,0,0]=4 7595 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000703577_100011215978 [1,1,0,0,0,0|2,0,0]=4 7596 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000210265_100011215482 [1,1,0,0,0,0|2,0,0]=4 7597 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000766645_100011215978 [1,1,0,0,0,0|2,0,0]=4 7598 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000210265_100011215482 [1,1,0,0,0,0|2,0,0]=4 7599 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000766645_100011215978 [1,1,0,0,0,0|2,0,0]=4 7600 B14R0.145 C=CCCCNC(C)CCCCCCC 2230a_100000700776_200011218727 [1,1,0,0,0,0|2,0,0]=4 7601 B14R0.145 C=CCCCNC(C)CCCCCCC 270004a_100000700776_100000210596 [1,1,0,0,0,0|2,0,0]=4 7602 B14R0.145 C=CCCCNC(C)CCCCCCC 34a_100000700776_200011218727 [1,1,0,0,0,0|2,0,0]=4 7603 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_100000758997_200011218727 [1,1,0,0,0,0|2,0,0]=4 7604 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_200011215852_100000757094 [1,1,0,0,0,0|2,0,0]=4 7605 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_100000758997_200011218727 [1,1,0,0,0,0|2,0,0]=4 7606 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_200011215852_100000757094 [1,1,0,0,0,0|2,0,0]=4 7607 B14R0.145 C=CCCOCCC(C)CCCCCC 34a_200011024964_100000754431 [1,1,0,0,0,0|2,0,0]=4 7608 B14R0.145 C=CCCOCCC(C)CCCCCC 7a_200011024964_100000754431 [1,1,0,0,0,0|2,0,0]=4 7609 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210757 [1,1,0,0,0,0|0,0,2]=4 7610 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100102632555_100000766143 [1,1,0,0,0,0|0,0,2]=4 7611 B14R0.145 CCCCCCC(C)CCOCCCO 34a_200011024964_100000230001 [1,1,0,0,0,0|1,0,1]=4 7612 B14R0.145 CCCCCCC(C)CCOCCCO 7a_200011024964_100011215043 [1,1,0,0,0,0|1,0,1]=4 7613 B14R0.145 CCCCCCC(C)NCCCCC=O 2230a_100000210919_100000139335 [1,1,0,0,0,0|1,0,0]=3 7614 B14R0.145 CCCCCCC(C)NCCCCCO 2230a_100000210919_100000746330 [1,1,0,0,0,0|1,0,1]=4 7615 B14R0.145 CCCCCCC(C)NCCCCCO 2230a_100000762737_100011215978 [1,1,0,0,0,0|1,0,1]=4 7616 B14R0.145 CCCCCCC(C)NCCCCCO 270004a_100000762737_100000210826 [1,1,0,0,0,0|1,0,1]=4 7617 B14R0.145 CCCCCCC(C)NCCCCCO 34a_100000210919_100000746330 [1,1,0,0,0,0|1,0,1]=4 7618 B14R0.145 CCCCCCC(C)NCCCCCO 34a_100000762737_100011215978 [1,1,0,0,0,0|1,0,1]=4 7619 B14R0.145 CCCCCCC(C)OCCCCC=O 7a_100000210265_100000139335 [1,1,0,0,0,0|1,0,0]=3 7620 B14R0.145 CCCCCCC(C)OCCCCCO 34a_100000210265_100000746330 [1,1,0,0,0,0|1,0,1]=4 7621 B14R0.145 CCCCCCC(C)OCCCCCO 7a_100000210265_100000746330 [1,1,0,0,0,0|1,0,1]=4 7622 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100000139335_100011215978 [1,1,0,0,0,0|1,0,0]=3 7623 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100011215978_100000139335 [1,1,0,0,0,0|1,0,0]=3 7624 B14R0.145 CCCCCCC(C)SCCCCCO 62a_100000746330_100011215978 [1,1,0,0,0,0|1,0,1]=4 7625 B14R0.145 CCCCCCC(C)SCCCCCO 62a_100011215978_100000746330 [1,1,0,0,0,0|1,0,1]=4 7626 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100000211969_100000746330 [1,1,0,0,0,0|0,0,2]=4 7627 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210614 [1,1,0,0,0,0|0,0,2]=4 7628 B14R0.145 CCCCCCCC(C)NCCCCO 2230a_100000750430_200011218727 [1,1,0,0,0,0|1,0,1]=4 7629 B14R0.145 CCCCCCCC(C)NCCCCO 270004a_100000750430_100000210596 [1,1,0,0,0,0|1,0,1]=4 7630 B14R0.145 CCCCCCCC(C)NCCCCO 34a_100000750430_200011218727 [1,1,0,0,0,0|1,0,1]=4 7631 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [1,1,0,0,0,0|1,0,0]=3 7632 B14R0.145 CCCCCCCC(C)OCCCCO 34a_200011215852_100011216708 [1,1,0,0,0,0|1,0,1]=4 7633 B14R0.145 CCCCCCCC(C)OCCCCO 7a_200011215852_100000210776 [1,1,0,0,0,0|1,0,1]=4 7634 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [1,1,0,0,0,0|1,0,0]=3 7635 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [1,1,0,0,0,0|1,0,0]=3 7636 B14R0.145 CCCCCCCC(C)SCCCCO 62a_100000210776_200011218727 [1,1,0,0,0,0|1,0,1]=4 7637 B14R0.145 CCCCCCCC(C)SCCCCO 62a_200011218727_100000210776 [1,1,0,0,0,0|1,0,1]=4 7638 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [1,1,0,0,0,0|1,0,0]=3 7639 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [1,1,0,0,0,0|1,0,0]=3 7640 B14R0.145 CCCCCCCN(C)CCCCCO 2230a_100000228206_100000746330 [1,1,0,0,0,0|1,0,1]=4 7641 B14R0.145 CCCCCCCN(C)CCCCCO 2230a_100000722520_100000210681 [1,1,0,0,0,0|1,0,1]=4 7642 B14R0.145 CCCCCCCN(C)CCCCCO 269982a_100000228206_100000746330 [1,1,0,0,0,0|1,0,1]=4 7643 B14R0.145 CCCCCCCN(C)CCCCCO 269982a_100000722520_100000210681 [1,1,0,0,0,0|1,0,1]=4 7644 B14R0.145 CCCCCCN(C)CCCCCC=O 2230a_106256046315_100000139337 [1,1,0,0,0,0|1,0,0]=3 7645 B14R0.145 CCCCCCN(C)CCCCCC=O 269982a_106256046315_100000139337 [1,1,0,0,0,0|1,0,0]=3 7646 B14R0.145 CCCCCCN(C)CCCCCCO 2230a_106256046315_100000766143 [1,1,0,0,0,0|1,0,1]=4 7647 B14R0.145 CCCCCCN(C)CCCCCCO 269982a_106256046315_100000766143 [1,1,0,0,0,0|1,0,1]=4 7648 B14R0.145 CCCCOCC(C)OCCCCC=O 7a_100011217071_100000139335 [1,1,0,0,0,0|2,0,0]=4 7649 B14R0.145 CN(CCCCCO)CCCCCC=O 2230a_100000722520_100000139337 [1,1,0,0,0,0|2,0,0]=4 7650 B14R0.145 CN(CCCCCO)CCCCCC=O 269982a_100000722520_100000139337 [1,1,0,0,0,0|2,0,0]=4 7651 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000210188_100000757094 [1,1,0,0,0,0|1,0,1]=4 7652 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000766728_100000210759 [1,1,0,0,0,0|1,0,1]=4 7653 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100000212188_100011215473 [1,1,0,0,0,0|1,0,1]=4 7654 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100011809334_100000210326 [1,1,0,0,0,0|1,0,1]=4 7655 B14R0.179 C=CCCCCCCN(C)CCCCC 2230a_100000223495_100011215473 [1,1,0,0,0,0|2,0,0]=4 7656 B14R0.179 C=CCCCCCCN(C)CCCCC 269982a_100000223495_100011215473 [1,1,0,0,0,0|2,0,0]=4 7657 B14R0.179 C=CCCCCCNC(C)CCCCC 2230a_100000211957_100000700193 [1,1,0,0,0,0|2,0,0]=4 7658 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011215632_100000700193 [1,1,0,0,0,0|2,0,0]=4 7659 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011216702_200011218191 [1,1,0,0,0,0|2,0,0]=4 7660 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011215632_100000700193 [1,1,0,0,0,0|2,0,0]=4 7661 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011216702_200011218191 [1,1,0,0,0,0|2,0,0]=4 7662 B14R0.179 C=CCCCN(C)CCCCCCCC 2230a_100000207567_100011713584 [1,1,0,0,0,0|2,0,0]=4 7663 B14R0.179 C=CCCCN(C)CCCCCCCC 269982a_100000207567_100000757094 [1,1,0,0,0,0|2,0,0]=4 7664 B14R0.179 C=CCCNC(C)CCCCCCCC 270004a_100015191253_100011216694 [1,1,0,0,0,0|2,0,0]=4 7665 B14R0.179 C=CCCOC(C)CCCCCCCC 34a_100000210740_100000754431 [1,1,0,0,0,0|2,0,0]=4 7666 B14R0.179 C=CCCOC(C)CCCCCCCC 7a_100000210740_100000754431 [1,1,0,0,0,0|2,0,0]=4 7667 B14R0.179 C=CCNCC(C)CCCCCCCC 270004a_100020586998_100011995885 [1,1,0,0,0,0|2,0,0]=4 7668 B14R0.179 C=CCOCC(C)CCCCCCCC 34a_200012125181_100015514636 [1,1,0,0,0,0|2,0,0]=4 7669 B14R0.179 C=CCOCC(C)CCCCCCCC 7a_200012125181_100015514636 [1,1,0,0,0,0|2,0,0]=4 7670 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100000212188_100000760002 [1,1,0,0,0,0|0,0,2]=4 7671 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210326 [1,1,0,0,0,0|0,0,2]=4 7672 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_100000139335_200012276598 [1,1,0,0,0,0|1,0,1]=4 7673 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_200012276598_100000139335 [1,1,0,0,0,0|1,0,1]=4 7674 B14R0.179 CCCCCC(C)NCCCCCC=O 2230a_100000211957_100000139337 [1,1,0,0,0,0|1,0,0]=3 7675 B14R0.179 CCCCCC(C)NCCCCCCO 2230a_100000211957_100000766143 [1,1,0,0,0,0|1,0,1]=4 7676 B14R0.179 CCCCCC(C)NCCCCCCO 2230a_100000686447_200011218191 [1,1,0,0,0,0|1,0,1]=4 7677 B14R0.179 CCCCCC(C)NCCCCCCO 270004a_100000686447_100000211708 [1,1,0,0,0,0|1,0,1]=4 7678 B14R0.179 CCCCCC(C)NCCCCCCO 34a_100000686447_200011218191 [1,1,0,0,0,0|1,0,1]=4 7679 B14R0.179 CCCCCC(C)OCCCCCC=O 7a_100011215632_100000139337 [1,1,0,0,0,0|1,0,0]=3 7680 B14R0.179 CCCCCC(C)OCCCCCCO 34a_100011215632_100000766143 [1,1,0,0,0,0|1,0,1]=4 7681 B14R0.179 CCCCCC(C)OCCCCCCO 7a_100011215632_100000766143 [1,1,0,0,0,0|1,0,1]=4 7682 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_100000139337_200011218191 [1,1,0,0,0,0|1,0,0]=3 7683 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_200011218191_100000139337 [1,1,0,0,0,0|1,0,0]=3 7684 B14R0.179 CCCCCC(C)SCCCCCCO 62a_100000766143_200011218191 [1,1,0,0,0,0|1,0,1]=4 7685 B14R0.179 CCCCCC(C)SCCCCCCO 62a_200011218191_100000766143 [1,1,0,0,0,0|1,0,1]=4 7686 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000210188_100000210776 [1,1,0,0,0,0|0,0,2]=4 7687 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210759 [1,1,0,0,0,0|0,0,2]=4 7688 B14R0.179 CCCCCCCCC(C)CNCCO 270004a_100000210304_100011995885 [1,1,0,0,0,0|1,0,1]=4 7689 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [1,1,0,0,0,0|1,0,0]=3 7690 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [1,1,0,0,0,0|1,0,0]=3 7691 B14R0.179 CCCCCCCCC(C)COCCO 34a_200012125181_100000211926 [1,1,0,0,0,0|1,0,1]=4 7692 B14R0.179 CCCCCCCCC(C)COCCO 7a_200012125181_100000211926 [1,1,0,0,0,0|1,0,1]=4 7693 B14R0.179 CCCCCCCCC(C)NCCCO 270004a_100000182051_100011216694 [1,1,0,0,0,0|1,0,1]=4 7694 B14R0.179 CCCCCCCCC(C)OCCCO 34a_100000210740_100000230001 [1,1,0,0,0,0|1,0,1]=4 7695 B14R0.179 CCCCCCCCC(C)OCCCO 7a_100000210740_100011215043 [1,1,0,0,0,0|1,0,1]=4 7696 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [1,1,0,0,0,0|1,0,0]=3 7697 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [1,1,0,0,0,0|1,0,0]=3 7698 B14R0.179 CCCCCCCCN(C)CCCCO 2230a_100000207567_100000210776 [1,1,0,0,0,0|1,0,1]=4 7699 B14R0.179 CCCCCCCCN(C)CCCCO 2230a_100000717598_100000210759 [1,1,0,0,0,0|1,0,1]=4 7700 B14R0.179 CCCCCCCCN(C)CCCCO 269982a_100000207567_100000210776 [1,1,0,0,0,0|1,0,1]=4 7701 B14R0.179 CCCCCCCCN(C)CCCCO 269982a_100000717598_100000210759 [1,1,0,0,0,0|1,0,1]=4 7702 B14R0.179 CCCCCN(C)CCCCCCCO 2230a_100000223495_100000760002 [1,1,0,0,0,0|1,0,1]=4 7703 B14R0.179 CCCCCN(C)CCCCCCCO 269982a_100000223495_100000760002 [1,1,0,0,0,0|1,0,1]=4 7704 B14R0.179 COCCCC(C)OCCCCCC=O 7a_200011539412_100000139337 [1,1,0,0,0,0|2,0,0]=4 7705 B14R0.392 C#CCCCCCCCCCCOCC 34a_100000054667_100000210202 [1,1,0,0,0,0|1,0,1]=4 7706 B14R0.392 C#CCCCCCCCCCCOCC 7a_100000054667_100000210202 [1,1,0,0,0,0|1,0,1]=4 7707 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [1,1,0,0,0,0|0,0,2]=4 7708 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [1,1,0,0,0,0|0,0,2]=4 7709 B14R0.392 C#CCCCCCCCCCOCCC 34a_100000034437_100000210303 [1,1,0,0,0,0|1,0,1]=4 7710 B14R0.392 C#CCCCCCCCCCOCCC 7a_100000034437_100000210303 [1,1,0,0,0,0|1,0,1]=4 7711 B14R0.392 C#CCCCCCCCCOCCCC 34a_100000065265_100000210210 [1,1,0,0,0,0|1,0,1]=4 7712 B14R0.392 C#CCCCCCCCCOCCCC 7a_100000065265_100000210211 [1,1,0,0,0,0|1,0,1]=4 7713 B14R0.392 C#CCCCCCCCNCCCCC 2230a_100000209983_100153394163 [1,1,0,0,0,0|1,0,1]=4 7714 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [1,1,0,0,0,0|0,0,2]=4 7715 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000054614_100000718602 [1,1,0,0,0,0|1,0,1]=4 7716 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000210253_100153394163 [1,1,0,0,0,0|1,0,1]=4 7717 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000054614_100000210326 [1,1,0,0,0,0|1,0,1]=4 7718 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000210253_100153394163 [1,1,0,0,0,0|1,0,1]=4 7719 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [1,1,0,0,0,0|0,0,2]=4 7720 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [1,1,0,0,0,0|0,0,2]=4 7721 B14R0.392 C#CCCCCCCCSCCCCC 62a_100000210326_100153394163 [1,1,0,0,0,0|1,0,1]=4 7722 B14R0.392 C#CCCCCCCCSCCCCC 62a_100153394163_100000210326 [1,1,0,0,0,0|1,0,1]=4 7723 B14R0.392 C#CCCCCCCNCCCCCC 2230a_100000210581_100012276617 [1,1,0,0,0,0|1,0,1]=4 7724 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [1,1,0,0,0,0|0,0,2]=4 7725 B14R0.392 C#CCCCCCCOCCCCCC 34a_100000210259_100012276617 [1,1,0,0,0,0|1,0,1]=4 7726 B14R0.392 C#CCCCCCCOCCCCCC 34a_100011217361_100000210314 [1,1,0,0,0,0|1,0,1]=4 7727 B14R0.392 C#CCCCCCCOCCCCCC 7a_100000210259_100012276617 [1,1,0,0,0,0|1,0,1]=4 7728 B14R0.392 C#CCCCCCCOCCCCCC 7a_100011217361_100000210314 [1,1,0,0,0,0|1,0,1]=4 7729 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [1,1,0,0,0,0|0,0,2]=4 7730 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [1,1,0,0,0,0|0,0,2]=4 7731 B14R0.392 C#CCCCCCCSCCCCCC 62a_100000210314_100012276617 [1,1,0,0,0,0|1,0,1]=4 7732 B14R0.392 C#CCCCCCCSCCCCCC 62a_100012276617_100000210757 [1,1,0,0,0,0|1,0,1]=4 7733 B14R0.392 C#CCCCCCNCCCCCCC 2230a_100000229938_100012094781 [1,1,0,0,0,0|1,0,1]=4 7734 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [1,1,0,0,0,0|0,0,2]=4 7735 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000210272_100012094781 [1,1,0,0,0,0|1,0,1]=4 7736 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000766912_100000210614 [1,1,0,0,0,0|1,0,1]=4 7737 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000210272_100012094781 [1,1,0,0,0,0|1,0,1]=4 7738 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000766912_100000210614 [1,1,0,0,0,0|1,0,1]=4 7739 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [1,1,0,0,0,0|0,0,2]=4 7740 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [1,1,0,0,0,0|0,0,2]=4 7741 B14R0.392 C#CCCCCCSCCCCCCC 62a_100000210614_100012094781 [1,1,0,0,0,0|1,0,1]=4 7742 B14R0.392 C#CCCCCCSCCCCCCC 62a_100012094781_100000210316 [1,1,0,0,0,0|1,0,1]=4 7743 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000229939_100010269958 [1,1,0,0,0,0|1,0,1]=4 7744 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000706060_100000210759 [1,1,0,0,0,0|1,0,1]=4 7745 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000229939_100010269958 [1,1,0,0,0,0|1,0,1]=4 7746 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000706060_100000210759 [1,1,0,0,0,0|1,0,1]=4 7747 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000210232_100010269958 [1,1,0,0,0,0|1,0,1]=4 7748 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000766709_100000210759 [1,1,0,0,0,0|1,0,1]=4 7749 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000210232_100010269958 [1,1,0,0,0,0|1,0,1]=4 7750 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000766709_100000210759 [1,1,0,0,0,0|1,0,1]=4 7751 B14R0.392 C#CCCCCSCCCCCCCC 62a_100000210759_100010269958 [1,1,0,0,0,0|1,0,1]=4 7752 B14R0.392 C#CCCCCSCCCCCCCC 62a_100010269958_100000210317 [1,1,0,0,0,0|1,0,1]=4 7753 B14R0.392 C#CCCCNCCCCCCCCC 2230a_100000212291_100000731252 [1,1,0,0,0,0|1,0,1]=4 7754 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000212291_100000695029 [1,1,0,0,0,0|1,0,1]=4 7755 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000718082_100011214924 [1,1,0,0,0,0|1,0,1]=4 7756 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000210712_100000695029 [1,1,0,0,0,0|1,0,1]=4 7757 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000215630_100011214924 [1,1,0,0,0,0|1,0,1]=4 7758 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000210712_100011215417 [1,1,0,0,0,0|1,0,1]=4 7759 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000215630_100000210328 [1,1,0,0,0,0|1,0,1]=4 7760 B14R0.392 C#CCCCSCCCCCCCCC 62a_100011215417_100000210670 [1,1,0,0,0,0|1,0,1]=4 7761 B14R0.392 C#CCCNCCCCCCCCCC 2230a_100000684558_100000688953 [1,1,0,0,0,0|1,0,1]=4 7762 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000684558_100000688953 [1,1,0,0,0,0|1,0,1]=4 7763 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000755551_100000210320 [1,1,0,0,0,0|1,0,1]=4 7764 B14R0.392 C#CCCOCCCCCCCCCC 34a_100000210711_100000688953 [1,1,0,0,0,0|1,0,1]=4 7765 B14R0.392 C#CCCOCCCCCCCCCC 34a_100011215631_100000210320 [1,1,0,0,0,0|1,0,1]=4 7766 B14R0.392 C#CCCOCCCCCCCCCC 7a_100000210711_100000688953 [1,1,0,0,0,0|1,0,1]=4 7767 B14R0.392 C#CCCSCCCCCCCCCC 62a_100000688953_100000210320 [1,1,0,0,0,0|1,0,1]=4 7768 B14R0.392 C#CCNCCCCCCCCCCC 2230a_200011215754_100000038162 [1,1,0,0,0,0|1,0,1]=4 7769 B14R0.392 C#CCNCCCCCCCCCCC 34a_100000212058_100011215454 [1,1,0,0,0,0|1,0,1]=4 7770 B14R0.392 C#CCNCCCCCCCCCCC 34a_200011215754_100000184674 [1,1,0,0,0,0|1,0,1]=4 7771 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210247_100011215454 [1,1,0,0,0,0|1,0,1]=4 7772 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210809_100000184674 [1,1,0,0,0,0|1,0,1]=4 7773 B14R0.392 C#CCOCCCCCCCCCCC 7a_100000210809_100000038162 [1,1,0,0,0,0|1,0,1]=4 7774 B14R0.392 C#CCSCCCCCCCCCCC 62a_100000038162_100011215454 [1,1,0,0,0,0|1,0,1]=4 7775 B14R0.392 C/C=C/CCOCCCCCCCCC 34a_100016278192_100011214924 [1,1,0,0,0,0|1,0,1]=4 7776 B14R0.392 C/C=C/CNCCCCCCCCCC 34a_100000684558_100102629194 [1,1,0,0,0,0|1,0,1]=4 7777 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100000210711_100102629194 [1,1,0,0,0,0|1,0,1]=4 7778 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100016270725_100000210320 [1,1,0,0,0,0|1,0,1]=4 7779 B14R0.392 C/C=C/COCCCCCCCCCC 7a_100000210711_100102629194 [1,1,0,0,0,0|1,0,1]=4 7780 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [1,1,0,0,0,0|1,0,0]=3 7781 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [1,1,0,0,0,0|1,0,0]=3 7782 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [1,1,0,0,0,0|1,0,0]=3 7783 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [1,1,0,0,0,0|1,0,0]=3 7784 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [1,1,0,0,0,0|1,0,0]=3 7785 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [1,1,0,0,0,0|1,0,0]=3 7786 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [1,1,0,0,0,0|0,0,2]=4 7787 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [1,1,0,0,0,0|0,0,2]=4 7788 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [1,1,0,0,0,0|1,0,0]=3 7789 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [1,1,0,0,0,0|1,0,0]=3 7790 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [1,1,0,0,0,0|2,0,0]=4 7791 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [1,1,0,0,0,0|2,0,0]=4 7792 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [1,1,0,0,0,0|2,0,0]=4 7793 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [1,1,0,0,0,0|2,0,0]=4 7794 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [1,1,0,0,0,0|2,0,0]=4 7795 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [1,1,0,0,0,0|2,0,0]=4 7796 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [1,1,0,0,0,0|2,0,0]=4 7797 B14R0.392 C=CCCCCCCCCCNCOC 2230a_100000081888_100000766300 [1,1,0,0,0,0|2,0,0]=4 7798 B14R0.392 C=CCCCCCCCCCNCSC 2230a_100000081888_100011218213 [1,1,0,0,0,0|2,0,0]=4 7799 B14R0.392 C=CCCCCCCCCCNCSC 34a_100000081888_100011218213 [1,1,0,0,0,0|2,0,0]=4 7800 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [1,1,0,0,0,0|0,0,2]=4 7801 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [1,1,0,0,0,0|0,0,2]=4 7802 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [1,1,0,0,0,0|2,0,0]=4 7803 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [1,1,0,0,0,0|1,0,0]=3 7804 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [1,1,0,0,0,0|1,0,0]=3 7805 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [1,1,0,0,0,0|1,0,0]=3 7806 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [1,1,0,0,0,0|2,0,0]=4 7807 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [1,1,0,0,0,0|2,0,0]=4 7808 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [1,1,0,0,0,0|2,0,0]=4 7809 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [1,1,0,0,0,0|2,0,0]=4 7810 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [1,1,0,0,0,0|2,0,0]=4 7811 B14R0.392 C=CCCCCCCCCCOCSC 34a_100000038209_100011218213 [1,1,0,0,0,0|2,0,0]=4 7812 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [1,1,0,0,0,0|0,0,2]=4 7813 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [1,1,0,0,0,0|0,0,2]=4 7814 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [1,1,0,0,0,0|2,0,0]=4 7815 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [1,1,0,0,0,0|2,0,0]=4 7816 B14R0.392 C=CCCCCCCCCCSCOC 62a_100000766300_100009814027 [1,1,0,0,0,0|2,0,0]=4 7817 B14R0.392 C=CCCCCCCCCCSCOC 62a_100009814027_100000766300 [1,1,0,0,0,0|2,0,0]=4 7818 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [1,1,0,0,0,0|1,0,0]=3 7819 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [1,1,0,0,0,0|1,0,0]=3 7820 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [1,1,0,0,0,0|2,0,0]=4 7821 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [1,1,0,0,0,0|2,0,0]=4 7822 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [1,1,0,0,0,0|2,0,0]=4 7823 B14R0.392 C=CCCCCCCCCNCCSC 2230a_100020590264_100011933949 [1,1,0,0,0,0|2,0,0]=4 7824 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [1,1,0,0,0,0|2,0,0]=4 7825 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [1,1,0,0,0,0|1,0,0]=3 7826 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [1,1,0,0,0,0|1,0,0]=3 7827 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [1,1,0,0,0,0|1,0,0]=3 7828 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [1,1,0,0,0,0|1,0,0]=3 7829 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [1,1,0,0,0,0|2,0,0]=4 7830 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [1,1,0,0,0,0|2,0,0]=4 7831 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [1,1,0,0,0,0|2,0,0]=4 7832 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [1,1,0,0,0,0|2,0,0]=4 7833 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [1,1,0,0,0,0|2,0,0]=4 7834 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [1,1,0,0,0,0|2,0,0]=4 7835 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [1,1,0,0,0,0|2,0,0]=4 7836 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [1,1,0,0,0,0|2,0,0]=4 7837 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [1,1,0,0,0,0|2,0,0]=4 7838 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [1,1,0,0,0,0|2,0,0]=4 7839 B14R0.392 C=CCCCCCCCCOCCSC 34a_100000230434_100011933949 [1,1,0,0,0,0|2,0,0]=4 7840 B14R0.392 C=CCCCCCCCCOCCSC 34a_100011215194_100000212216 [1,1,0,0,0,0|2,0,0]=4 7841 B14R0.392 C=CCCCCCCCCOCCSC 7a_100000230434_100011933949 [1,1,0,0,0,0|2,0,0]=4 7842 B14R0.392 C=CCCCCCCCCOCCSC 7a_100011215194_100000212216 [1,1,0,0,0,0|2,0,0]=4 7843 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [1,1,0,0,0,0|2,0,0]=4 7844 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [1,1,0,0,0,0|2,0,0]=4 7845 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [1,1,0,0,0,0|2,0,0]=4 7846 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [1,1,0,0,0,0|2,0,0]=4 7847 B14R0.392 C=CCCCCCCCCSCOCC 62a_100000739092_100011933949 [1,1,0,0,0,0|2,0,0]=4 7848 B14R0.392 C=CCCCCCCCCSCOCC 62a_100011933949_100000739092 [1,1,0,0,0,0|2,0,0]=4 7849 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [1,1,0,0,0,0|1,0,0]=3 7850 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 7851 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 7852 B14R0.392 C=CCCCCCCCNCCCOC 34a_100150723488_100012355270 [1,1,0,0,0,0|2,0,0]=4 7853 B14R0.392 C=CCCCCCCCNCCCSC 2230a_100000749238_100012355270 [1,1,0,0,0,0|2,0,0]=4 7854 B14R0.392 C=CCCCCCCCNCCOCC 2230a_102516460346_100012355270 [1,1,0,0,0,0|2,0,0]=4 7855 B14R0.392 C=CCCCCCCCNCCOCC 34a_102516460346_100012355270 [1,1,0,0,0,0|2,0,0]=4 7856 B14R0.392 C=CCCCCCCCNCCSCC 2230a_100000106463_100012355270 [1,1,0,0,0,0|2,0,0]=4 7857 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [1,1,0,0,0,0|0,0,2]=4 7858 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [1,1,0,0,0,0|2,0,0]=4 7859 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [1,1,0,0,0,0|1,0,0]=3 7860 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [1,1,0,0,0,0|1,0,0]=3 7861 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [1,1,0,0,0,0|1,0,0]=3 7862 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [1,1,0,0,0,0|1,0,0]=3 7863 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [1,1,0,0,0,0|2,0,0]=4 7864 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [1,1,0,0,0,0|2,0,0]=4 7865 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [1,1,0,0,0,0|2,0,0]=4 7866 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [1,1,0,0,0,0|2,0,0]=4 7867 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [1,1,0,0,0,0|2,0,0]=4 7868 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [1,1,0,0,0,0|2,0,0]=4 7869 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [1,1,0,0,0,0|2,0,0]=4 7870 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 7871 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [1,1,0,0,0,0|2,0,0]=4 7872 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [1,1,0,0,0,0|2,0,0]=4 7873 B14R0.392 C=CCCCCCCCOCCCNC 34a_100000213112_100012355270 [1,1,0,0,0,0|2,0,0]=4 7874 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000730831_100000740836 [1,1,0,0,0,0|2,0,0]=4 7875 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000740835_100012355270 [1,1,0,0,0,0|2,0,0]=4 7876 B14R0.392 C=CCCCCCCCOCCCOC 7a_100000730831_100000740836 [1,1,0,0,0,0|2,0,0]=4 7877 B14R0.392 C=CCCCCCCCOCCCSC 34a_100000690336_100012355270 [1,1,0,0,0,0|2,0,0]=4 7878 B14R0.392 C=CCCCCCCCOCCCSC 7a_100000690336_100012355270 [1,1,0,0,0,0|2,0,0]=4 7879 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000210136_100012355270 [1,1,0,0,0,0|2,0,0]=4 7880 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000730831_100000210147 [1,1,0,0,0,0|2,0,0]=4 7881 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000210136_100012355270 [1,1,0,0,0,0|2,0,0]=4 7882 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000730831_100011215890 [1,1,0,0,0,0|2,0,0]=4 7883 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000212035_100012355270 [1,1,0,0,0,0|2,0,0]=4 7884 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000730831_100000757381 [1,1,0,0,0,0|2,0,0]=4 7885 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000212035_100012355270 [1,1,0,0,0,0|2,0,0]=4 7886 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000730831_100000757381 [1,1,0,0,0,0|2,0,0]=4 7887 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [1,1,0,0,0,0|0,0,2]=4 7888 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [1,1,0,0,0,0|0,0,2]=4 7889 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [1,1,0,0,0,0|2,0,0]=4 7890 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [1,1,0,0,0,0|2,0,0]=4 7891 B14R0.392 C=CCCCCCCCSCCCOC 62a_100000709357_100012355270 [1,1,0,0,0,0|2,0,0]=4 7892 B14R0.392 C=CCCCCCCCSCCCOC 62a_100012355270_100000709357 [1,1,0,0,0,0|2,0,0]=4 7893 B14R0.392 C=CCCCCCCCSCCOCC 62a_100000210147_100012355270 [1,1,0,0,0,0|2,0,0]=4 7894 B14R0.392 C=CCCCCCCCSCCOCC 62a_100012355270_100011215890 [1,1,0,0,0,0|2,0,0]=4 7895 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [1,1,0,0,0,0|1,0,0]=3 7896 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 7897 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 7898 B14R0.392 C=CCCCCCCNCCCOCC 2230a_100000210961_100011215473 [1,1,0,0,0,0|2,0,0]=4 7899 B14R0.392 C=CCCCCCCNCCCOCC 34a_100000210961_100011215473 [1,1,0,0,0,0|2,0,0]=4 7900 B14R0.392 C=CCCCCCCNCCOCCC 2230a_100161115042_100011215473 [1,1,0,0,0,0|2,0,0]=4 7901 B14R0.392 C=CCCCCCCNCCOCCC 34a_100161115042_100011215473 [1,1,0,0,0,0|2,0,0]=4 7902 B14R0.392 C=CCCCCCCNCCSCCC 2230a_100020603323_100011215473 [1,1,0,0,0,0|2,0,0]=4 7903 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [1,1,0,0,0,0|0,0,2]=4 7904 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [1,1,0,0,0,0|2,0,0]=4 7905 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [1,1,0,0,0,0|2,0,0]=4 7906 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [1,1,0,0,0,0|1,0,0]=3 7907 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [1,1,0,0,0,0|1,0,0]=3 7908 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [1,1,0,0,0,0|1,0,0]=3 7909 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [1,1,0,0,0,0|1,0,0]=3 7910 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [1,1,0,0,0,0|2,0,0]=4 7911 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [1,1,0,0,0,0|2,0,0]=4 7912 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [1,1,0,0,0,0|2,0,0]=4 7913 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [1,1,0,0,0,0|2,0,0]=4 7914 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [1,1,0,0,0,0|2,0,0]=4 7915 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [1,1,0,0,0,0|2,0,0]=4 7916 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 7917 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [1,1,0,0,0,0|2,0,0]=4 7918 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [1,1,0,0,0,0|2,0,0]=4 7919 B14R0.392 C=CCCCCCCOCCCCOC 34a_100000740925_100011215473 [1,1,0,0,0,0|2,0,0]=4 7920 B14R0.392 C=CCCCCCCOCCCCOC 34a_200011216477_100000755781 [1,1,0,0,0,0|2,0,0]=4 7921 B14R0.392 C=CCCCCCCOCCCCOC 7a_200011216477_100000730899 [1,1,0,0,0,0|2,0,0]=4 7922 B14R0.392 C=CCCCCCCOCCCCSC 34a_100011217163_100011215473 [1,1,0,0,0,0|2,0,0]=4 7923 B14R0.392 C=CCCCCCCOCCCCSC 7a_100011217163_100011215473 [1,1,0,0,0,0|2,0,0]=4 7924 B14R0.392 C=CCCCCCCOCCCOCC 34a_100000757476_100011215473 [1,1,0,0,0,0|2,0,0]=4 7925 B14R0.392 C=CCCCCCCOCCCOCC 34a_200011216477_100012232248 [1,1,0,0,0,0|2,0,0]=4 7926 B14R0.392 C=CCCCCCCOCCCOCC 7a_100000757476_100011215473 [1,1,0,0,0,0|2,0,0]=4 7927 B14R0.392 C=CCCCCCCOCCCOCC 7a_200011216477_100012232248 [1,1,0,0,0,0|2,0,0]=4 7928 B14R0.392 C=CCCCCCCOCCCSCC 34a_100011216438_100011215473 [1,1,0,0,0,0|2,0,0]=4 7929 B14R0.392 C=CCCCCCCOCCCSCC 7a_100011216438_100011215473 [1,1,0,0,0,0|2,0,0]=4 7930 B14R0.392 C=CCCCCCCOCCOCCC 34a_100000752267_100011215473 [1,1,0,0,0,0|2,0,0]=4 7931 B14R0.392 C=CCCCCCCOCCOCCC 34a_200011216477_100011215938 [1,1,0,0,0,0|2,0,0]=4 7932 B14R0.392 C=CCCCCCCOCCOCCC 7a_100000752267_100011215473 [1,1,0,0,0,0|2,0,0]=4 7933 B14R0.392 C=CCCCCCCOCCOCCC 7a_200011216477_100011215938 [1,1,0,0,0,0|2,0,0]=4 7934 B14R0.392 C=CCCCCCCOCCSCCC 34a_200000230433_100011215473 [1,1,0,0,0,0|2,0,0]=4 7935 B14R0.392 C=CCCCCCCOCCSCCC 7a_200000230433_100011215473 [1,1,0,0,0,0|2,0,0]=4 7936 B14R0.392 C=CCCCCCCOCOCCCC 34a_200011216477_100011995733 [1,1,0,0,0,0|2,0,0]=4 7937 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [1,1,0,0,0,0|0,0,2]=4 7938 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [1,1,0,0,0,0|0,0,2]=4 7939 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [1,1,0,0,0,0|2,0,0]=4 7940 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [1,1,0,0,0,0|2,0,0]=4 7941 B14R0.392 C=CCCCCCCSCCCCOC 62a_100000730899_100011215473 [1,1,0,0,0,0|2,0,0]=4 7942 B14R0.392 C=CCCCCCCSCCCCOC 62a_100011215473_100000730899 [1,1,0,0,0,0|2,0,0]=4 7943 B14R0.392 C=CCCCCCCSCCCOCC 62a_100011215473_100012232248 [1,1,0,0,0,0|2,0,0]=4 7944 B14R0.392 C=CCCCCCCSCCCOCC 62a_100012232248_100011215473 [1,1,0,0,0,0|2,0,0]=4 7945 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215473_100011215938 [1,1,0,0,0,0|2,0,0]=4 7946 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215938_100011215473 [1,1,0,0,0,0|2,0,0]=4 7947 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011215473_100011995733 [1,1,0,0,0,0|2,0,0]=4 7948 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011995733_100011215473 [1,1,0,0,0,0|2,0,0]=4 7949 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [1,1,0,0,0,0|1,0,0]=3 7950 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 7951 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 7952 B14R0.392 C=CCCCCCNCCCCCOC 2230a_100000747528_100000700193 [1,1,0,0,0,0|2,0,0]=4 7953 B14R0.392 C=CCCCCCNCCCCCOC 34a_100000747528_100000700193 [1,1,0,0,0,0|2,0,0]=4 7954 B14R0.392 C=CCCCCCNCCCOCCC 2230a_100011217757_100000700193 [1,1,0,0,0,0|2,0,0]=4 7955 B14R0.392 C=CCCCCCNCCCOCCC 34a_100011217757_100000700193 [1,1,0,0,0,0|2,0,0]=4 7956 B14R0.392 C=CCCCCCNCCSCCCC 2230a_100025743550_100000700193 [1,1,0,0,0,0|2,0,0]=4 7957 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [1,1,0,0,0,0|0,0,2]=4 7958 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [1,1,0,0,0,0|2,0,0]=4 7959 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [1,1,0,0,0,0|2,0,0]=4 7960 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [1,1,0,0,0,0|1,0,0]=3 7961 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [1,1,0,0,0,0|1,0,0]=3 7962 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [1,1,0,0,0,0|1,0,0]=3 7963 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [1,1,0,0,0,0|1,0,0]=3 7964 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [1,1,0,0,0,0|2,0,0]=4 7965 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [1,1,0,0,0,0|2,0,0]=4 7966 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [1,1,0,0,0,0|2,0,0]=4 7967 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [1,1,0,0,0,0|2,0,0]=4 7968 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [1,1,0,0,0,0|2,0,0]=4 7969 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [1,1,0,0,0,0|2,0,0]=4 7970 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 7971 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [1,1,0,0,0,0|2,0,0]=4 7972 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [1,1,0,0,0,0|2,0,0]=4 7973 B14R0.392 C=CCCCCCOCCCCCNC 34a_100000722520_100000700193 [1,1,0,0,0,0|2,0,0]=4 7974 B14R0.392 C=CCCCCCOCCOCCCC 34a_100000210238_100000700193 [1,1,0,0,0,0|2,0,0]=4 7975 B14R0.392 C=CCCCCCOCCOCCCC 34a_100011216702_100000743108 [1,1,0,0,0,0|2,0,0]=4 7976 B14R0.392 C=CCCCCCOCCOCCCC 7a_100000210238_100000700193 [1,1,0,0,0,0|2,0,0]=4 7977 B14R0.392 C=CCCCCCOCCOCCCC 7a_100011216702_100000743108 [1,1,0,0,0,0|2,0,0]=4 7978 B14R0.392 C=CCCCCCOCCSCCCC 34a_200000230436_100000700193 [1,1,0,0,0,0|2,0,0]=4 7979 B14R0.392 C=CCCCCCOCCSCCCC 7a_200000230436_100000700193 [1,1,0,0,0,0|2,0,0]=4 7980 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [1,1,0,0,0,0|0,0,2]=4 7981 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [1,1,0,0,0,0|0,0,2]=4 7982 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [1,1,0,0,0,0|2,0,0]=4 7983 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [1,1,0,0,0,0|2,0,0]=4 7984 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000700193_100000743108 [1,1,0,0,0,0|2,0,0]=4 7985 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000743108_100000700193 [1,1,0,0,0,0|2,0,0]=4 7986 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [1,1,0,0,0,0|1,0,0]=3 7987 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [1,1,0,0,0,0|1,0,0]=3 7988 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [1,1,0,0,0,0|1,0,0]=3 7989 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [1,1,0,0,0,0|1,0,0]=3 7990 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [1,1,0,0,0,0|2,0,0]=4 7991 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 7992 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [1,1,0,0,0,0|2,0,0]=4 7993 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 7994 B14R0.392 C=CCCCCNCCCCCCOC 2230a_100000703577_100011998445 [1,1,0,0,0,0|2,0,0]=4 7995 B14R0.392 C=CCCCCNCCCCCCOC 34a_100000703577_100011998445 [1,1,0,0,0,0|2,0,0]=4 7996 B14R0.392 C=CCCCCNCCCOCCCC 2230a_200000211371_100011215482 [1,1,0,0,0,0|2,0,0]=4 7997 B14R0.392 C=CCCCCNCCCOCCCC 34a_200000211371_100011215482 [1,1,0,0,0,0|2,0,0]=4 7998 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [1,1,0,0,0,0|2,0,0]=4 7999 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [1,1,0,0,0,0|2,0,0]=4 8000 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [1,1,0,0,0,0|1,0,0]=3 8001 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [1,1,0,0,0,0|1,0,0]=3 8002 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [1,1,0,0,0,0|1,0,0]=3 8003 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [1,1,0,0,0,0|1,0,0]=3 8004 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 8005 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [1,1,0,0,0,0|2,0,0]=4 8006 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [1,1,0,0,0,0|2,0,0]=4 8007 B14R0.392 C=CCCCCOCCCCCCOC 34a_100000766645_100011998445 [1,1,0,0,0,0|2,0,0]=4 8008 B14R0.392 C=CCCCCOCCCCCCOC 34a_200012092642_100011215482 [1,1,0,0,0,0|2,0,0]=4 8009 B14R0.392 C=CCCCCOCCCCCCOC 7a_100000766645_100011998445 [1,1,0,0,0,0|2,0,0]=4 8010 B14R0.392 C=CCCCCOCCCCCCOC 7a_200012092642_100011215482 [1,1,0,0,0,0|2,0,0]=4 8011 B14R0.392 C=CCCCCOCCCOCCCC 34a_200011215613_100011215482 [1,1,0,0,0,0|2,0,0]=4 8012 B14R0.392 C=CCCCCOCCCOCCCC 7a_200011215613_100011215482 [1,1,0,0,0,0|2,0,0]=4 8013 B14R0.392 C=CCCCCOCCNCCCCC 34a_100000224656_100011215482 [1,1,0,0,0,0|2,0,0]=4 8014 B14R0.392 C=CCCCCOCCOCCCCC 34a_100011215259_100011215482 [1,1,0,0,0,0|2,0,0]=4 8015 B14R0.392 C=CCCCCOCCOCCCCC 7a_100011215259_100011215482 [1,1,0,0,0,0|2,0,0]=4 8016 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [1,1,0,0,0,0|2,0,0]=4 8017 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [1,1,0,0,0,0|2,0,0]=4 8018 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011215482_100011998445 [1,1,0,0,0,0|2,0,0]=4 8019 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011998445_100011215482 [1,1,0,0,0,0|2,0,0]=4 8020 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [1,1,0,0,0,0|1,0,0]=3 8021 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [1,1,0,0,0,0|1,0,0]=3 8022 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [1,1,0,0,0,0|1,0,0]=3 8023 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [1,1,0,0,0,0|1,0,0]=3 8024 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [1,1,0,0,0,0|2,0,0]=4 8025 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [1,1,0,0,0,0|2,0,0]=4 8026 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [1,1,0,0,0,0|2,0,0]=4 8027 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [1,1,0,0,0,0|2,0,0]=4 8028 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [1,1,0,0,0,0|2,0,0]=4 8029 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [1,1,0,0,0,0|2,0,0]=4 8030 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [1,1,0,0,0,0|1,0,0]=3 8031 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [1,1,0,0,0,0|1,0,0]=3 8032 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [1,1,0,0,0,0|1,0,0]=3 8033 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [1,1,0,0,0,0|1,0,0]=3 8034 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [1,1,0,0,0,0|2,0,0]=4 8035 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [1,1,0,0,0,0|2,0,0]=4 8036 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [1,1,0,0,0,0|2,0,0]=4 8037 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [1,1,0,0,0,0|2,0,0]=4 8038 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [1,1,0,0,0,0|2,0,0]=4 8039 B14R0.392 C=CCCCOCCCCNCCCC 34a_200011216965_100000757094 [1,1,0,0,0,0|2,0,0]=4 8040 B14R0.392 C=CCCCOCCCCOCCCC 34a_200000760531_100000757094 [1,1,0,0,0,0|2,0,0]=4 8041 B14R0.392 C=CCCCOCCCCOCCCC 7a_200000760531_100000757094 [1,1,0,0,0,0|2,0,0]=4 8042 B14R0.392 C=CCCCOCCOCCCCCC 34a_100000691444_100000757094 [1,1,0,0,0,0|2,0,0]=4 8043 B14R0.392 C=CCCCOCCOCCCCCC 7a_100000691444_100000757094 [1,1,0,0,0,0|2,0,0]=4 8044 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [1,1,0,0,0,0|2,0,0]=4 8045 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [1,1,0,0,0,0|2,0,0]=4 8046 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [1,1,0,0,0,0|1,0,0]=3 8047 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [1,1,0,0,0,0|1,0,0]=3 8048 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [1,1,0,0,0,0|1,0,0]=3 8049 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 8050 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [1,1,0,0,0,0|2,0,0]=4 8051 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 8052 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [1,1,0,0,0,0|2,0,0]=4 8053 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [1,1,0,0,0,0|2,0,0]=4 8054 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [1,1,0,0,0,0|1,0,0]=3 8055 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [1,1,0,0,0,0|1,0,0]=3 8056 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [1,1,0,0,0,0|1,0,0]=3 8057 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [1,1,0,0,0,0|2,0,0]=4 8058 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [1,1,0,0,0,0|2,0,0]=4 8059 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 8060 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [1,1,0,0,0,0|2,0,0]=4 8061 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [1,1,0,0,0,0|2,0,0]=4 8062 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [1,1,0,0,0,0|2,0,0]=4 8063 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [1,1,0,0,0,0|1,0,0]=3 8064 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [1,1,0,0,0,0|1,0,0]=3 8065 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [1,1,0,0,0,0|1,0,0]=3 8066 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [1,1,0,0,0,0|2,0,0]=4 8067 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [1,1,0,0,0,0|2,0,0]=4 8068 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [1,1,0,0,0,0|2,0,0]=4 8069 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [1,1,0,0,0,0|2,0,0]=4 8070 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [1,1,0,0,0,0|2,0,0]=4 8071 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [1,1,0,0,0,0|1,0,0]=3 8072 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [1,1,0,0,0,0|1,0,0]=3 8073 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [1,1,0,0,0,0|1,0,0]=3 8074 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [1,1,0,0,0,0|2,0,0]=4 8075 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [1,1,0,0,0,0|2,0,0]=4 8076 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [1,1,0,0,0,0|2,0,0]=4 8077 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [1,1,0,0,0,0|2,0,0]=4 8078 B14R0.392 C=CCOCCOCCCCCCCC 34a_100000037705_100000210759 [1,1,0,0,0,0|2,0,0]=4 8079 B14R0.392 C=CCOCCOCCCCCCCC 7a_100000037705_100000210759 [1,1,0,0,0,0|2,0,0]=4 8080 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [1,1,0,0,0,0|2,0,0]=4 8081 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [1,1,0,0,0,0|2,0,0]=4 8082 B14R0.392 C=COCCCCOCCCCCCC 34a_100000031558_100000210614 [1,1,0,0,0,0|2,0,0]=4 8083 B14R0.392 C=COCCCCOCCCCCCC 7a_100000031558_100000210614 [1,1,0,0,0,0|2,0,0]=4 8084 B14R0.392 C=COCCCNCCCCCCCC 2230a_100000210767_100000210759 [1,1,0,0,0,0|2,0,0]=4 8085 B14R0.392 C=COCCCNCCCCCCCC 34a_100000210767_100000210759 [1,1,0,0,0,0|2,0,0]=4 8086 B14R0.392 C=COCCNCCCCCCCCC 2230a_100000212291_100000039644 [1,1,0,0,0,0|2,0,0]=4 8087 B14R0.392 C=COCCNCCCCCCCCC 34a_100000212291_100000039644 [1,1,0,0,0,0|2,0,0]=4 8088 B14R0.392 C=COCCOCCCCCCCCC 34a_100000033082_100011214924 [1,1,0,0,0,0|2,0,0]=4 8089 B14R0.392 C=COCCOCCCCCCCCC 34a_100000210712_100000039644 [1,1,0,0,0,0|2,0,0]=4 8090 B14R0.392 C=COCCOCCCCCCCCC 7a_100000210712_100000039644 [1,1,0,0,0,0|2,0,0]=4 8091 B14R0.392 C=COCCSCCCCCCCCC 62a_100000039644_100000210670 [1,1,0,0,0,0|2,0,0]=4 8092 B14R0.392 CC/C=C/CCCOCCCCCC=O 7a_100016287902_100000139337 [1,1,0,0,0,0|0,0,2]=4 8093 B14R0.392 CC/C=C\CCCCCOCCCC=O 7a_100016268722_200011292268 [1,1,0,0,0,0|0,0,2]=4 8094 B14R0.392 CC/C=C\CCCCOCCCCC=O 7a_100016287862_100000139335 [1,1,0,0,0,0|0,0,2]=4 8095 B14R0.392 CC=CCCCOCCCCCCCC 34a_100020645299_100000210759 [1,1,0,0,0,0|1,0,1]=4 8096 B14R0.392 CC=CCNCCCCCCCCCC 2230a_100000684558_100000070051 [1,1,0,0,0,0|1,0,1]=4 8097 B14R0.392 CC=CCNCCCCCCCCCC 34a_100000684558_100000070051 [1,1,0,0,0,0|1,0,1]=4 8098 B14R0.392 CC=CCOCCCCCCCCCC 34a_100000210711_100000070051 [1,1,0,0,0,0|1,0,1]=4 8099 B14R0.392 CC=CCOCCCCCCCCCC 7a_100000210711_100000070051 [1,1,0,0,0,0|1,0,1]=4 8100 B14R0.392 CCCC#CCCOCCCCCC=O 7a_100000042726_100000139337 [1,1,0,0,0,0|0,0,2]=4 8101 B14R0.392 CCCC/C=C/COCCCCCC=O 7a_200016272032_100000139337 [1,1,0,0,0,0|0,0,2]=4 8102 B14R0.392 CCCC/C=C\CCOCCCCC=O 7a_200016286491_100000139335 [1,1,0,0,0,0|0,0,2]=4 8103 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200000047210_200011292268 [1,1,0,0,0,0|0,0,2]=4 8104 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200011292268_200000047210 [1,1,0,0,0,0|0,0,2]=4 8105 B14R0.392 CCCCC#CCCOCCCCC=O 7a_100000037610_100000139335 [1,1,0,0,0,0|0,0,2]=4 8106 B14R0.392 CCCCC#CCOCCCCCC=O 7a_200000034558_100000139337 [1,1,0,0,0,0|0,0,2]=4 8107 B14R0.392 CCCCC/C=C/COCCCCC=O 7a_100016258190_100000139335 [1,1,0,0,0,0|0,0,2]=4 8108 B14R0.392 CCCCC/C=C\CCOCCCC=O 7a_100016277358_200011292268 [1,1,0,0,0,0|0,0,2]=4 8109 B14R0.392 CCCCCC#CCCOCCCC=O 7a_200000042877_200011292268 [1,1,0,0,0,0|0,0,2]=4 8110 B14R0.392 CCCCCC#CCOCCCCC=O 7a_200000033628_100000139335 [1,1,0,0,0,0|0,0,2]=4 8111 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100000139335_100009816472 [1,1,0,0,0,0|0,0,2]=4 8112 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100009816472_100000139335 [1,1,0,0,0,0|0,0,2]=4 8113 B14R0.392 CCCCCC/C=C/COCCCC=O 7a_200016276170_200011292268 [1,1,0,0,0,0|0,0,2]=4 8114 B14R0.392 CCCCCCC#CCOCCCC=O 7a_200000037284_200011292268 [1,1,0,0,0,0|0,0,2]=4 8115 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [1,1,0,0,0,0|0,0,2]=4 8116 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [1,1,0,0,0,0|0,0,2]=4 8117 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [1,1,0,0,0,0|1,0,1]=4 8118 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [1,1,0,0,0,0|1,0,1]=4 8119 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [1,1,0,0,0,0|1,0,1]=4 8120 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [1,1,0,0,0,0|1,0,1]=4 8121 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [1,1,0,0,0,0|1,0,1]=4 8122 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [1,1,0,0,0,0|1,0,1]=4 8123 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [1,1,0,0,0,0|1,0,1]=4 8124 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [1,1,0,0,0,0|1,0,1]=4 8125 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [1,1,0,0,0,0|0,0,1]=3 8126 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [1,1,0,0,0,0|0,0,1]=3 8127 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [1,1,0,0,0,0|0,0,1]=3 8128 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [1,1,0,0,0,0|0,0,1]=3 8129 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [1,1,0,0,0,0|0,0,1]=3 8130 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [1,1,0,0,0,0|1,0,1]=4 8131 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [1,1,0,0,0,0|1,0,1]=4 8132 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [1,1,0,0,0,0|1,0,1]=4 8133 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [1,1,0,0,0,0|1,0,1]=4 8134 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [1,1,0,0,0,0|1,0,1]=4 8135 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [1,1,0,0,0,0|1,0,1]=4 8136 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [1,1,0,0,0,0|1,0,1]=4 8137 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [1,1,0,0,0,0|1,0,1]=4 8138 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [1,1,0,0,0,0|1,0,1]=4 8139 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [1,1,0,0,0,0|1,0,1]=4 8140 B14R0.392 CCCCCCCCCCCNCC#N 2230a_200011215754_100011215382 [1,1,0,0,0,0|1,0,1]=4 8141 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [1,1,0,0,0,0|0,0,0]=2 8142 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [1,1,0,0,0,0|0,0,0]=2 8143 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [1,1,0,0,0,0|1,0,1]=4 8144 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [1,1,0,0,0,0|1,0,1]=4 8145 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [1,1,0,0,0,0|1,0,1]=4 8146 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [1,1,0,0,0,0|1,0,1]=4 8147 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [1,1,0,0,0,0|1,0,1]=4 8148 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [1,1,0,0,0,0|0,0,1]=3 8149 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [1,1,0,0,0,0|0,0,1]=3 8150 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [1,1,0,0,0,0|0,0,1]=3 8151 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [1,1,0,0,0,0|0,0,1]=3 8152 B14R0.392 CCCCCCCCCCCNCOC 2230a_200011215754_100000766300 [1,1,0,0,0,0|1,0,1]=4 8153 B14R0.392 CCCCCCCCCCCNCSC 2230a_200011215754_100011218213 [1,1,0,0,0,0|2,0,0]=4 8154 B14R0.392 CCCCCCCCCCCNCSC 34a_200011215754_100011218213 [1,1,0,0,0,0|2,0,0]=4 8155 B14R0.392 CCCCCCCCCCCOCC#N 7a_100000210809_100011215382 [1,1,0,0,0,0|1,0,1]=4 8156 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [1,1,0,0,0,0|0,0,0]=2 8157 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [1,1,0,0,0,0|0,0,0]=2 8158 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [1,1,0,0,0,0|1,0,1]=4 8159 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [1,1,0,0,0,0|1,0,1]=4 8160 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [1,1,0,0,0,0|1,0,1]=4 8161 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [1,1,0,0,0,0|1,0,1]=4 8162 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [1,1,0,0,0,0|1,0,1]=4 8163 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [1,1,0,0,0,0|1,0,1]=4 8164 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [1,1,0,0,0,0|1,0,1]=4 8165 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [1,1,0,0,0,0|0,0,1]=3 8166 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [1,1,0,0,0,0|0,0,1]=3 8167 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [1,1,0,0,0,0|2,0,0]=4 8168 B14R0.392 CCCCCCCCCCCSCC#N 62a_100011215382_100011215454 [1,1,0,0,0,0|1,0,1]=4 8169 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [1,1,0,0,0,0|0,0,0]=2 8170 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [1,1,0,0,0,0|0,0,1]=3 8171 B14R0.392 CCCCCCCCCCCSCOC 62a_100000766300_100011215454 [1,1,0,0,0,0|1,0,1]=4 8172 B14R0.392 CCCCCCCCCCNCCC#N 2230a_100000684558_100011215226 [1,1,0,0,0,0|1,0,1]=4 8173 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [1,1,0,0,0,0|1,0,1]=4 8174 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [1,1,0,0,0,0|1,0,1]=4 8175 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [1,1,0,0,0,0|1,0,1]=4 8176 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [1,1,0,0,0,0|1,0,1]=4 8177 B14R0.392 CCCCCCCCCCNCCCF 2230a_100000684558_100011934791 [1,1,0,0,0,0|1,0,1]=4 8178 B14R0.392 CCCCCCCCCCNCCCF 2230a_100015189416_100000210320 [1,1,0,0,0,0|1,0,1]=4 8179 B14R0.392 CCCCCCCCCCNCCCF 34a_100000684558_100011934791 [1,1,0,0,0,0|1,0,1]=4 8180 B14R0.392 CCCCCCCCCCNCCCF 34a_100015189416_100000210320 [1,1,0,0,0,0|1,0,1]=4 8181 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [1,1,0,0,0,0|0,0,1]=3 8182 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [1,1,0,0,0,0|0,0,1]=3 8183 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000209980_100000210320 [1,1,0,0,0,0|1,0,1]=4 8184 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000684558_100011201679 [1,1,0,0,0,0|1,0,1]=4 8185 B14R0.392 CCCCCCCCCCNCCOC 34a_100000684558_100011201679 [1,1,0,0,0,0|1,0,1]=4 8186 B14R0.392 CCCCCCCCCCNCCSC 2230a_100000684558_100000751147 [1,1,0,0,0,0|2,0,0]=4 8187 B14R0.392 CCCCCCCCCCNCCSC 2230a_100020590264_100000210320 [1,1,0,0,0,0|2,0,0]=4 8188 B14R0.392 CCCCCCCCCCNCCSC 34a_100000684558_100000212216 [1,1,0,0,0,0|2,0,0]=4 8189 B14R0.392 CCCCCCCCCCOCCC#N 7a_100000210711_100000184422 [1,1,0,0,0,0|1,0,1]=4 8190 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [1,1,0,0,0,0|1,0,1]=4 8191 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [1,1,0,0,0,0|1,0,1]=4 8192 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [1,1,0,0,0,0|1,0,1]=4 8193 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [1,1,0,0,0,0|1,0,1]=4 8194 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [1,1,0,0,0,0|1,0,1]=4 8195 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [1,1,0,0,0,0|1,0,1]=4 8196 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [1,1,0,0,0,0|1,0,1]=4 8197 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [1,1,0,0,0,0|1,0,1]=4 8198 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [1,1,0,0,0,0|1,0,1]=4 8199 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [1,1,0,0,0,0|1,0,1]=4 8200 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [1,1,0,0,0,0|0,0,1]=3 8201 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [1,1,0,0,0,0|0,0,1]=3 8202 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210237_100000210320 [1,1,0,0,0,0|1,0,1]=4 8203 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210711_100011201679 [1,1,0,0,0,0|1,0,1]=4 8204 B14R0.392 CCCCCCCCCCOCCOC 7a_100000210711_100000233755 [1,1,0,0,0,0|1,0,1]=4 8205 B14R0.392 CCCCCCCCCCOCCON 34a_100000700252_100000210320 [1,1,0,0,0,0|1,0,1]=4 8206 B14R0.392 CCCCCCCCCCOCCSC 34a_100000210711_100000212216 [1,1,0,0,0,0|2,0,0]=4 8207 B14R0.392 CCCCCCCCCCOCCSC 34a_100000230434_100000210320 [1,1,0,0,0,0|2,0,0]=4 8208 B14R0.392 CCCCCCCCCCOCCSC 7a_100000210711_100000212216 [1,1,0,0,0,0|2,0,0]=4 8209 B14R0.392 CCCCCCCCCCOCCSC 7a_100000230434_100000210320 [1,1,0,0,0,0|2,0,0]=4 8210 B14R0.392 CCCCCCCCCCSCCC#N 62a_100011215226_100000210320 [1,1,0,0,0,0|1,0,1]=4 8211 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [1,1,0,0,0,0|0,0,1]=3 8212 B14R0.392 CCCCCCCCCCSCCOC 34a_100011628728_200000210301 [1,1,0,0,0,0|1,0,1]=4 8213 B14R0.392 CCCCCCCCCCSCCOC 62a_100000233755_100000210320 [1,1,0,0,0,0|1,0,1]=4 8214 B14R0.392 CCCCCCCCCCSCCOC 7a_100011628728_200000210301 [1,1,0,0,0,0|1,0,1]=4 8215 B14R0.392 CCCCCCCCCCSCCO[13CH3] 34a_100011628728_200025704644 [1,1,0,0,0,0|1,0,1]=4 8216 B14R0.392 CCCCCCCCCCSCCO[13CH3] 7a_100011628728_200025704644 [1,1,0,0,0,0|1,0,1]=4 8217 B14R0.392 CCCCCCCCCNCCCC#N 2230a_100000212291_100000687738 [1,1,0,0,0,0|1,0,1]=4 8218 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [1,1,0,0,0,0|0,0,0]=2 8219 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [1,1,0,0,0,0|1,0,1]=4 8220 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [1,1,0,0,0,0|1,0,1]=4 8221 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [1,1,0,0,0,0|1,0,1]=4 8222 B14R0.392 CCCCCCCCCNCCCCF 2230a_100000212291_100000729493 [1,1,0,0,0,0|1,0,1]=4 8223 B14R0.392 CCCCCCCCCNCCCCF 34a_100000212291_100000729493 [1,1,0,0,0,0|1,0,1]=4 8224 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [1,1,0,0,0,0|0,0,1]=3 8225 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [1,1,0,0,0,0|0,0,1]=3 8226 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [1,1,0,0,0,0|0,0,1]=3 8227 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [1,1,0,0,0,0|0,0,1]=3 8228 B14R0.392 CCCCCCCCCNCCCOC 2230a_100000212291_100000740836 [1,1,0,0,0,0|1,0,1]=4 8229 B14R0.392 CCCCCCCCCNCCCOC 34a_100000212291_100000740836 [1,1,0,0,0,0|1,0,1]=4 8230 B14R0.392 CCCCCCCCCNCCCOC 34a_100150723488_100011214924 [1,1,0,0,0,0|1,0,1]=4 8231 B14R0.392 CCCCCCCCCNCCCSC 2230a_100000749238_100011214924 [1,1,0,0,0,0|2,0,0]=4 8232 B14R0.392 CCCCCCCCCOCCCC#N 7a_100000210712_100000687738 [1,1,0,0,0,0|1,0,1]=4 8233 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [1,1,0,0,0,0|0,0,0]=2 8234 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [1,1,0,0,0,0|1,0,1]=4 8235 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [1,1,0,0,0,0|1,0,1]=4 8236 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [1,1,0,0,0,0|1,0,1]=4 8237 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [1,1,0,0,0,0|1,0,1]=4 8238 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [1,1,0,0,0,0|1,0,1]=4 8239 B14R0.392 CCCCCCCCCOCCCCCl 34a_100000210776_100011214924 [1,1,0,0,0,0|1,0,1]=4 8240 B14R0.392 CCCCCCCCCOCCCCCl 7a_100000210776_100000210328 [1,1,0,0,0,0|1,0,1]=4 8241 B14R0.392 CCCCCCCCCOCCCCF 34a_100000210712_100000729493 [1,1,0,0,0,0|1,0,1]=4 8242 B14R0.392 CCCCCCCCCOCCCCF 34a_100011995726_100011214924 [1,1,0,0,0,0|1,0,1]=4 8243 B14R0.392 CCCCCCCCCOCCCCF 7a_100000210712_100000729493 [1,1,0,0,0,0|1,0,1]=4 8244 B14R0.392 CCCCCCCCCOCCCCF 7a_100011995726_100000210328 [1,1,0,0,0,0|1,0,1]=4 8245 B14R0.392 CCCCCCCCCOCCCCI 34a_200012148704_100011214924 [1,1,0,0,0,0|1,0,1]=4 8246 B14R0.392 CCCCCCCCCOCCCCN 34a_100000750430_100011214924 [1,1,0,0,0,0|1,0,1]=4 8247 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [1,1,0,0,0,0|0,0,1]=3 8248 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [1,1,0,0,0,0|0,0,1]=3 8249 B14R0.392 CCCCCCCCCOCCCNC 34a_100000213112_100011214924 [1,1,0,0,0,0|2,0,0]=4 8250 B14R0.392 CCCCCCCCCOCCCOC 34a_100000210712_100000740836 [1,1,0,0,0,0|1,0,1]=4 8251 B14R0.392 CCCCCCCCCOCCCOC 34a_100000740835_100011214924 [1,1,0,0,0,0|1,0,1]=4 8252 B14R0.392 CCCCCCCCCOCCCOC 7a_100000210712_100000740836 [1,1,0,0,0,0|1,0,1]=4 8253 B14R0.392 CCCCCCCCCOCCCSC 34a_100000690336_100011214924 [1,1,0,0,0,0|2,0,0]=4 8254 B14R0.392 CCCCCCCCCOCCCSC 7a_100000690336_100000210328 [1,1,0,0,0,0|2,0,0]=4 8255 B14R0.392 CCCCCCCCCSCCCC#N 62a_100000687738_100000210670 [1,1,0,0,0,0|1,0,1]=4 8256 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [1,1,0,0,0,0|0,0,0]=2 8257 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [1,1,0,0,0,0|0,0,1]=3 8258 B14R0.392 CCCCCCCCCSCCCOC 62a_100000709357_100000210670 [1,1,0,0,0,0|1,0,1]=4 8259 B14R0.392 CCCCCCCCNCCCCC#N 2230a_100000229939_100000211819 [1,1,0,0,0,0|1,0,1]=4 8260 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [1,1,0,0,0,0|0,0,0]=2 8261 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [1,1,0,0,0,0|1,0,1]=4 8262 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [1,1,0,0,0,0|1,0,1]=4 8263 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [1,1,0,0,0,0|1,0,1]=4 8264 B14R0.392 CCCCCCCCNCCCCCF 2230a_100000229939_100000729378 [1,1,0,0,0,0|1,0,1]=4 8265 B14R0.392 CCCCCCCCNCCCCCF 34a_100000229939_100000729378 [1,1,0,0,0,0|1,0,1]=4 8266 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [1,1,0,0,0,0|0,0,1]=3 8267 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [1,1,0,0,0,0|0,0,1]=3 8268 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [1,1,0,0,0,0|0,0,1]=3 8269 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [1,1,0,0,0,0|0,0,1]=3 8270 B14R0.392 CCCCCCCCNCCCCOC 2230a_100000229939_100000730899 [1,1,0,0,0,0|1,0,1]=4 8271 B14R0.392 CCCCCCCCNCCCCOC 34a_100000229939_100000755781 [1,1,0,0,0,0|1,0,1]=4 8272 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000211614_100000210759 [1,1,0,0,0,0|1,0,1]=4 8273 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000229939_100011215305 [1,1,0,0,0,0|1,0,1]=4 8274 B14R0.392 CCCCCCCCNCCOCCO 34a_100000211614_100000210759 [1,1,0,0,0,0|1,0,1]=4 8275 B14R0.392 CCCCCCCCNCCOCCO 34a_100000229939_100000692535 [1,1,0,0,0,0|1,0,1]=4 8276 B14R0.392 CCCCCCCCNCCSCCO 2230a_100011219999_100000210759 [1,1,0,0,0,0|1,0,1]=4 8277 B14R0.392 CCCCCCCCOCCCCC#N 7a_100000210232_100000211819 [1,1,0,0,0,0|1,0,1]=4 8278 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [1,1,0,0,0,0|0,0,0]=2 8279 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [1,1,0,0,0,0|1,0,1]=4 8280 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [1,1,0,0,0,0|1,0,1]=4 8281 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [1,1,0,0,0,0|1,0,1]=4 8282 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [1,1,0,0,0,0|1,0,1]=4 8283 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [1,1,0,0,0,0|1,0,1]=4 8284 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [1,1,0,0,0,0|1,0,1]=4 8285 B14R0.392 CCCCCCCCOCCCCCCl 34a_100000746330_100000210759 [1,1,0,0,0,0|1,0,1]=4 8286 B14R0.392 CCCCCCCCOCCCCCCl 7a_100000746330_100000210759 [1,1,0,0,0,0|1,0,1]=4 8287 B14R0.392 CCCCCCCCOCCCCCF 34a_100000210232_100000729378 [1,1,0,0,0,0|1,0,1]=4 8288 B14R0.392 CCCCCCCCOCCCCCF 7a_100000210232_100000729378 [1,1,0,0,0,0|1,0,1]=4 8289 B14R0.392 CCCCCCCCOCCCCCI 34a_200012148887_100000210759 [1,1,0,0,0,0|1,0,1]=4 8290 B14R0.392 CCCCCCCCOCCCCCI 7a_200012148887_100000210759 [1,1,0,0,0,0|1,0,1]=4 8291 B14R0.392 CCCCCCCCOCCCCCN 34a_100000762737_100000210759 [1,1,0,0,0,0|1,0,1]=4 8292 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [1,1,0,0,0,0|0,0,1]=3 8293 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [1,1,0,0,0,0|0,0,1]=3 8294 B14R0.392 CCCCCCCCOCCCCOC 34a_100000210232_100000755781 [1,1,0,0,0,0|1,0,1]=4 8295 B14R0.392 CCCCCCCCOCCCCOC 34a_100000740925_100000210759 [1,1,0,0,0,0|1,0,1]=4 8296 B14R0.392 CCCCCCCCOCCCCOC 7a_100000210232_100000730899 [1,1,0,0,0,0|1,0,1]=4 8297 B14R0.392 CCCCCCCCOCCCCSC 34a_100011217163_100000210759 [1,1,0,0,0,0|2,0,0]=4 8298 B14R0.392 CCCCCCCCOCCCCSC 7a_100011217163_100000210759 [1,1,0,0,0,0|2,0,0]=4 8299 B14R0.392 CCCCCCCCOCCOCCO 34a_100000210232_100000692535 [1,1,0,0,0,0|1,0,1]=4 8300 B14R0.392 CCCCCCCCOCCOCCO 7a_100000210232_100011215305 [1,1,0,0,0,0|1,0,1]=4 8301 B14R0.392 CCCCCCCCSCCCCC#N 62a_100000210759_100000211819 [1,1,0,0,0,0|1,0,1]=4 8302 B14R0.392 CCCCCCCCSCCCCC#N 62a_100011219923_100000210317 [1,1,0,0,0,0|1,0,1]=4 8303 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [1,1,0,0,0,0|0,0,0]=2 8304 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [1,1,0,0,0,0|0,0,0]=2 8305 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [1,1,0,0,0,0|0,0,1]=3 8306 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [1,1,0,0,0,0|0,0,1]=3 8307 B14R0.392 CCCCCCCCSCCCCOC 62a_100000210759_100000730899 [1,1,0,0,0,0|1,0,1]=4 8308 B14R0.392 CCCCCCCCSCCCCOC 62a_100000730899_100000210317 [1,1,0,0,0,0|1,0,1]=4 8309 B14R0.392 CCCCCCCCSCCOCCO 62a_100000210759_100011215305 [1,1,0,0,0,0|1,0,1]=4 8310 B14R0.392 CCCCCCCCSCCOCCO 62a_100011215305_100000210317 [1,1,0,0,0,0|1,0,1]=4 8311 B14R0.392 CCCCCCCNCCCCCC#N 2230a_100000229938_100009813376 [1,1,0,0,0,0|1,0,1]=4 8312 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [1,1,0,0,0,0|0,0,0]=2 8313 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [1,1,0,0,0,0|1,0,1]=4 8314 B14R0.392 CCCCCCCNCCCCCCF 2230a_100000229938_100015922095 [1,1,0,0,0,0|1,0,1]=4 8315 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [1,1,0,0,0,0|0,0,1]=3 8316 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [1,1,0,0,0,0|0,0,1]=3 8317 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [1,1,0,0,0,0|0,0,1]=3 8318 B14R0.392 CCCCCCCNCCCCCOC 2230a_100000747528_100000210681 [1,1,0,0,0,0|1,0,1]=4 8319 B14R0.392 CCCCCCCNCCCCCOC 34a_100000747528_100000210614 [1,1,0,0,0,0|1,0,1]=4 8320 B14R0.392 CCCCCCCOCCCCCC#N 7a_100000210272_100009813376 [1,1,0,0,0,0|1,0,1]=4 8321 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [1,1,0,0,0,0|0,0,0]=2 8322 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [1,1,0,0,0,0|1,0,1]=4 8323 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [1,1,0,0,0,0|1,0,1]=4 8324 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [1,1,0,0,0,0|1,0,1]=4 8325 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [1,1,0,0,0,0|1,0,1]=4 8326 B14R0.392 CCCCCCCOCCCCCCCl 34a_100000766143_100000210614 [1,1,0,0,0,0|1,0,1]=4 8327 B14R0.392 CCCCCCCOCCCCCCCl 7a_100000766143_100000210614 [1,1,0,0,0,0|1,0,1]=4 8328 B14R0.392 CCCCCCCOCCCCCCF 34a_100000210272_100015922095 [1,1,0,0,0,0|1,0,1]=4 8329 B14R0.392 CCCCCCCOCCCCCCF 34a_100000732779_100000210614 [1,1,0,0,0,0|1,0,1]=4 8330 B14R0.392 CCCCCCCOCCCCCCF 7a_100000210272_100015922095 [1,1,0,0,0,0|1,0,1]=4 8331 B14R0.392 CCCCCCCOCCCCCCF 7a_100000732779_100000210614 [1,1,0,0,0,0|1,0,1]=4 8332 B14R0.392 CCCCCCCOCCCCCCN 34a_100000686447_100000210614 [1,1,0,0,0,0|1,0,1]=4 8333 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [1,1,0,0,0,0|0,0,1]=3 8334 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [1,1,0,0,0,0|0,0,1]=3 8335 B14R0.392 CCCCCCCOCCCCCNC 34a_100000722520_100000210614 [1,1,0,0,0,0|2,0,0]=4 8336 B14R0.392 CCCCCCCSCCCCCC#N 62a_100000210614_100009813376 [1,1,0,0,0,0|1,0,1]=4 8337 B14R0.392 CCCCCCCSCCCCCC#N 62a_100009813376_100000210316 [1,1,0,0,0,0|1,0,1]=4 8338 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [1,1,0,0,0,0|0,0,0]=2 8339 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [1,1,0,0,0,0|0,0,0]=2 8340 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [1,1,0,0,0,0|0,0,1]=3 8341 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [1,1,0,0,0,0|0,0,1]=3 8342 B14R0.392 CCCCCCNCCCCCCC#N 2230a_100000210581_100009813337 [1,1,0,0,0,0|1,0,1]=4 8343 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [1,1,0,0,0,0|0,0,1]=3 8344 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [1,1,0,0,0,0|0,0,1]=3 8345 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [1,1,0,0,0,0|0,0,1]=3 8346 B14R0.392 CCCCCCNCCCCCCOC 2230a_100000210581_100011998445 [1,1,0,0,0,0|1,0,1]=4 8347 B14R0.392 CCCCCCNCCCOCCCO 2230a_100011310245_100000210314 [1,1,0,0,0,0|1,0,1]=4 8348 B14R0.392 CCCCCCNCCCOCCCO 34a_100011310245_100000210314 [1,1,0,0,0,0|1,0,1]=4 8349 B14R0.392 CCCCCCOCCCCCCC#N 7a_100000210259_100009813337 [1,1,0,0,0,0|1,0,1]=4 8350 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [1,1,0,0,0,0|1,0,1]=4 8351 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [1,1,0,0,0,0|1,0,1]=4 8352 B14R0.392 CCCCCCOCCCCCCCN 34a_100011996573_100000210314 [1,1,0,0,0,0|1,0,1]=4 8353 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [1,1,0,0,0,0|0,0,1]=3 8354 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [1,1,0,0,0,0|0,0,1]=3 8355 B14R0.392 CCCCCCOCCCCCCOC 34a_100000210259_100011998445 [1,1,0,0,0,0|1,0,1]=4 8356 B14R0.392 CCCCCCOCCCCCCOC 34a_200012092642_100000210314 [1,1,0,0,0,0|1,0,1]=4 8357 B14R0.392 CCCCCCOCCCCCCOC 7a_100000210259_100011998445 [1,1,0,0,0,0|1,0,1]=4 8358 B14R0.392 CCCCCCOCCCCCCOC 7a_200012092642_100000210314 [1,1,0,0,0,0|1,0,1]=4 8359 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [1,1,0,0,0,0|1,0,0]=3 8360 B14R0.392 CCCCCCOCCOCCCCO 34a_100000691444_100011216708 [1,1,0,0,0,0|1,0,1]=4 8361 B14R0.392 CCCCCCOCCOCCCCO 7a_100000691444_100000210776 [1,1,0,0,0,0|1,0,1]=4 8362 B14R0.392 CCCCCCSCCCCCCC#N 62a_100000210314_100009813337 [1,1,0,0,0,0|1,0,1]=4 8363 B14R0.392 CCCCCCSCCCCCCC#N 62a_100009813337_100000210757 [1,1,0,0,0,0|1,0,1]=4 8364 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [1,1,0,0,0,0|0,0,1]=3 8365 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [1,1,0,0,0,0|0,0,1]=3 8366 B14R0.392 CCCCCCSCCCCCCOC 62a_100000210314_100011998445 [1,1,0,0,0,0|1,0,1]=4 8367 B14R0.392 CCCCCCSCCCCCCOC 62a_100011998445_100000210757 [1,1,0,0,0,0|1,0,1]=4 8368 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [1,1,0,0,0,0|0,0,1]=3 8369 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [1,1,0,0,0,0|0,0,1]=3 8370 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [1,1,0,0,0,0|0,0,1]=3 8371 B14R0.392 CCCCCNCCOCCCCCO 34a_100000224656_100000746330 [1,1,0,0,0,0|1,0,1]=4 8372 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [1,1,0,0,0,0|1,0,1]=4 8373 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [1,1,0,0,0,0|1,0,1]=4 8374 B14R0.392 CCCCCOCCCCCCCCCl 34a_100000033203_100000718602 [1,1,0,0,0,0|1,0,1]=4 8375 B14R0.392 CCCCCOCCCCCCCCCl 7a_100000033203_100000210326 [1,1,0,0,0,0|1,0,1]=4 8376 B14R0.392 CCCCCOCCCCCCCCN 34a_102515433106_100000718602 [1,1,0,0,0,0|1,0,1]=4 8377 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [1,1,0,0,0,0|0,0,1]=3 8378 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [1,1,0,0,0,0|0,0,1]=3 8379 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [1,1,0,0,0,0|1,0,0]=3 8380 B14R0.392 CCCCCOCCOCCCCCO 34a_100011215259_100000746330 [1,1,0,0,0,0|1,0,1]=4 8381 B14R0.392 CCCCCOCCOCCCCCO 7a_100011215259_100000746330 [1,1,0,0,0,0|1,0,1]=4 8382 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [1,1,0,0,0,0|0,0,1]=3 8383 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [1,1,0,0,0,0|0,0,1]=3 8384 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [1,1,0,0,0,0|0,0,1]=3 8385 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [1,1,0,0,0,0|0,0,1]=3 8386 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [1,1,0,0,0,0|0,0,1]=3 8387 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [1,1,0,0,0,0|0,0,1]=3 8388 B14R0.392 CCCCNCCCCOCCCCO 34a_200011216965_100011216708 [1,1,0,0,0,0|1,0,1]=4 8389 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [1,1,0,0,0,0|1,0,1]=4 8390 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [1,1,0,0,0,0|1,0,1]=4 8391 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [1,1,0,0,0,0|1,0,1]=4 8392 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [1,1,0,0,0,0|1,0,1]=4 8393 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [1,1,0,0,0,0|1,0,1]=4 8394 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [1,1,0,0,0,0|0,0,1]=3 8395 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [1,1,0,0,0,0|0,0,1]=3 8396 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [1,1,0,0,0,0|1,0,0]=3 8397 B14R0.392 CCCCOCCCCOCCCCO 34a_200000760531_100011216708 [1,1,0,0,0,0|1,0,1]=4 8398 B14R0.392 CCCCOCCCCOCCCCO 7a_200000760531_100000210776 [1,1,0,0,0,0|1,0,1]=4 8399 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [1,1,0,0,0,0|1,0,0]=3 8400 B14R0.392 CCCCOCCCNCCCCCO 2230a_200000211371_100000746330 [1,1,0,0,0,0|1,0,1]=4 8401 B14R0.392 CCCCOCCCNCCCCCO 34a_200000211371_100000746330 [1,1,0,0,0,0|1,0,1]=4 8402 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [1,1,0,0,0,0|1,0,0]=3 8403 B14R0.392 CCCCOCCCOCCCCCO 34a_200011215613_100000746330 [1,1,0,0,0,0|1,0,1]=4 8404 B14R0.392 CCCCOCCCOCCCCCO 7a_200011215613_100000746330 [1,1,0,0,0,0|1,0,1]=4 8405 B14R0.392 CCCCOCCNCCCCCCO 2230a_100000686447_100000743108 [1,1,0,0,0,0|1,0,1]=4 8406 B14R0.392 CCCCOCCNCCCCCCO 34a_100000686447_100000743108 [1,1,0,0,0,0|1,0,1]=4 8407 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [1,1,0,0,0,0|1,0,0]=3 8408 B14R0.392 CCCCOCCOCCCCCCO 34a_100000210238_100000766143 [1,1,0,0,0,0|1,0,1]=4 8409 B14R0.392 CCCCOCCOCCCCCCO 7a_100000210238_100000766143 [1,1,0,0,0,0|1,0,1]=4 8410 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [1,1,0,0,0,0|1,0,0]=3 8411 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [1,1,0,0,0,0|1,0,0]=3 8412 B14R0.392 CCCCOCCSCCCCCCO 62a_100000743108_100000766143 [1,1,0,0,0,0|1,0,1]=4 8413 B14R0.392 CCCCOCCSCCCCCCO 62a_100000766143_100000743108 [1,1,0,0,0,0|1,0,1]=4 8414 B14R0.392 CCCCOCNCCCCCCCO 2230a_100011996573_100011995733 [1,1,0,0,0,0|1,0,1]=4 8415 B14R0.392 CCCCOCNCCCCCCCO 34a_100011996573_100011995733 [1,1,0,0,0,0|1,0,1]=4 8416 B14R0.392 CCCCOCSCCCCCCCO 62a_100000760002_100011995733 [1,1,0,0,0,0|1,0,1]=4 8417 B14R0.392 CCCCOCSCCCCCCCO 62a_100011995733_100000760002 [1,1,0,0,0,0|1,0,1]=4 8418 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [1,1,0,0,0,0|0,0,1]=3 8419 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [1,1,0,0,0,0|0,0,1]=3 8420 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [1,1,0,0,0,0|1,0,0]=3 8421 B14R0.392 CCCCSCCNCCCCCCO 2230a_100025743550_100000766143 [1,1,0,0,0,0|1,0,1]=4 8422 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [1,1,0,0,0,0|1,0,0]=3 8423 B14R0.392 CCCCSCCOCCCCCCO 34a_200000230436_100000766143 [1,1,0,0,0,0|1,0,1]=4 8424 B14R0.392 CCCCSCCOCCCCCCO 7a_200000230436_100000766143 [1,1,0,0,0,0|1,0,1]=4 8425 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [1,1,0,0,0,0|0,0,1]=3 8426 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [1,1,0,0,0,0|0,0,1]=3 8427 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [1,1,0,0,0,0|1,0,1]=4 8428 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [1,1,0,0,0,0|1,0,1]=4 8429 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [1,1,0,0,0,0|1,0,1]=4 8430 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [1,1,0,0,0,0|1,0,1]=4 8431 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [1,1,0,0,0,0|1,0,1]=4 8432 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [1,1,0,0,0,0|0,0,1]=3 8433 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [1,1,0,0,0,0|1,0,0]=3 8434 B14R0.392 CCCOCCCNCCCCCCO 2230a_100011217757_100000766143 [1,1,0,0,0,0|1,0,1]=4 8435 B14R0.392 CCCOCCCNCCCCCCO 34a_100011217757_100000766143 [1,1,0,0,0,0|1,0,1]=4 8436 B14R0.392 CCCOCCNCCCCCCCO 2230a_100011996573_100011215938 [1,1,0,0,0,0|1,0,1]=4 8437 B14R0.392 CCCOCCNCCCCCCCO 2230a_100161115042_100000760002 [1,1,0,0,0,0|1,0,1]=4 8438 B14R0.392 CCCOCCNCCCCCCCO 34a_100011996573_100011215938 [1,1,0,0,0,0|1,0,1]=4 8439 B14R0.392 CCCOCCNCCCCCCCO 34a_100161115042_100000760002 [1,1,0,0,0,0|1,0,1]=4 8440 B14R0.392 CCCOCCOCCCCCCCO 34a_100000752267_100000760002 [1,1,0,0,0,0|1,0,1]=4 8441 B14R0.392 CCCOCCOCCCCCCCO 7a_100000752267_100000760002 [1,1,0,0,0,0|1,0,1]=4 8442 B14R0.392 CCCOCCOCCNCCCC=O 2230a_200011904461_200011292268 [1,1,0,0,0,0|2,0,0]=4 8443 B14R0.392 CCCOCCSCCCCCCCO 62a_100000760002_100011215938 [1,1,0,0,0,0|1,0,1]=4 8444 B14R0.392 CCCOCCSCCCCCCCO 62a_100011215938_100000760002 [1,1,0,0,0,0|1,0,1]=4 8445 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [1,1,0,0,0,0|0,0,1]=3 8446 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [1,1,0,0,0,0|0,0,1]=3 8447 B14R0.392 CCCSCCNCCCCCCCO 2230a_100020603323_100000760002 [1,1,0,0,0,0|1,0,1]=4 8448 B14R0.392 CCCSCCOCCCCCCCO 34a_200000230433_100000760002 [1,1,0,0,0,0|1,0,1]=4 8449 B14R0.392 CCCSCCOCCCCCCCO 7a_200000230433_100000760002 [1,1,0,0,0,0|1,0,1]=4 8450 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [1,1,0,0,0,0|0,0,1]=3 8451 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [1,1,0,0,0,0|1,0,1]=4 8452 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [1,1,0,0,0,0|1,0,1]=4 8453 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [1,1,0,0,0,0|0,0,1]=3 8454 B14R0.392 CCOCCCNCCCCCCCO 2230a_100000210961_100000760002 [1,1,0,0,0,0|1,0,1]=4 8455 B14R0.392 CCOCCCNCCCCCCCO 2230a_100011996573_100012232248 [1,1,0,0,0,0|1,0,1]=4 8456 B14R0.392 CCOCCCNCCCCCCCO 34a_100000210961_100000760002 [1,1,0,0,0,0|1,0,1]=4 8457 B14R0.392 CCOCCCNCCCCCCCO 34a_100011996573_100012232248 [1,1,0,0,0,0|1,0,1]=4 8458 B14R0.392 CCOCCCOCCCCCCCO 34a_100000757476_100000760002 [1,1,0,0,0,0|1,0,1]=4 8459 B14R0.392 CCOCCCOCCCCCCCO 7a_100000757476_100000760002 [1,1,0,0,0,0|1,0,1]=4 8460 B14R0.392 CCOCCCSCCCCCCCO 62a_100000760002_100012232248 [1,1,0,0,0,0|1,0,1]=4 8461 B14R0.392 CCOCCCSCCCCCCCO 62a_100012232248_100000760002 [1,1,0,0,0,0|1,0,1]=4 8462 B14R0.392 CCOCCNCCCCCCCCO 2230a_102515433106_100011215890 [1,1,0,0,0,0|1,0,1]=4 8463 B14R0.392 CCOCCNCCCCCCCCO 2230a_102516460346_100000033203 [1,1,0,0,0,0|1,0,1]=4 8464 B14R0.392 CCOCCNCCCCCCCCO 34a_102515433106_100000210147 [1,1,0,0,0,0|1,0,1]=4 8465 B14R0.392 CCOCCNCCCCCCCCO 34a_102516460346_100000033203 [1,1,0,0,0,0|1,0,1]=4 8466 B14R0.392 CCOCCOCCCCCCCCO 34a_100000210136_100000033203 [1,1,0,0,0,0|1,0,1]=4 8467 B14R0.392 CCOCCOCCCCCCCCO 7a_100000210136_100000033203 [1,1,0,0,0,0|1,0,1]=4 8468 B14R0.392 CCOCCOCCNCCCCC=O 2230a_100102712874_100000139335 [1,1,0,0,0,0|2,0,0]=4 8469 B14R0.392 CCOCCOCCOCCCCC=O 7a_100000210240_100000139335 [1,1,0,0,0,0|2,0,0]=4 8470 B14R0.392 CCOCCOCCSCCCCC=O 62a_100000139335_100011211534 [1,1,0,0,0,0|2,0,0]=4 8471 B14R0.392 CCOCCOCCSCCCCC=O 62a_100011211534_100000139335 [1,1,0,0,0,0|2,0,0]=4 8472 B14R0.392 CCOCCSCCCCCCCCO 62a_100000033203_100011215890 [1,1,0,0,0,0|1,0,1]=4 8473 B14R0.392 CCOCCSCCCCCCCCO 62a_100000210147_100000033203 [1,1,0,0,0,0|1,0,1]=4 8474 B14R0.392 CCOCSCCCCCCCCCO 62a_100000739092_100009813782 [1,1,0,0,0,0|1,0,1]=4 8475 B14R0.392 CCOCSCCCCCCCCCO 62a_100009813782_100000739092 [1,1,0,0,0,0|1,0,1]=4 8476 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [1,1,0,0,0,0|0,0,1]=3 8477 B14R0.392 CCSCCCOCCCCCCCO 34a_100011216438_100000760002 [1,1,0,0,0,0|1,0,1]=4 8478 B14R0.392 CCSCCCOCCCCCCCO 7a_100011216438_100000760002 [1,1,0,0,0,0|1,0,1]=4 8479 B14R0.392 CCSCCNCCCCCCCCO 2230a_100000106463_100000033203 [1,1,0,0,0,0|1,0,1]=4 8480 B14R0.392 CCSCCNCCCCCCCCO 2230a_102515433106_100000757381 [1,1,0,0,0,0|1,0,1]=4 8481 B14R0.392 CCSCCNCCCCCCCCO 34a_102515433106_100000757381 [1,1,0,0,0,0|1,0,1]=4 8482 B14R0.392 CCSCCOCCCCCCCCO 34a_100000212035_100000033203 [1,1,0,0,0,0|1,0,1]=4 8483 B14R0.392 CCSCCOCCCCCCCCO 7a_100000212035_100000033203 [1,1,0,0,0,0|1,0,1]=4 8484 B14R0.392 CCSCCSCCCCCCCCO 62a_100000033203_100000757381 [1,1,0,0,0,0|1,0,1]=4 8485 B14R0.392 CCSCCSCCCCCCCCO 62a_100000757381_100000033203 [1,1,0,0,0,0|1,0,1]=4 8486 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [1,1,0,0,0,0|0,0,1]=3 8487 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [1,1,0,0,0,0|0,0,1]=3 8488 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [1,1,0,0,0,0|0,0,1]=3 8489 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [1,1,0,0,0,0|0,0,1]=3 8490 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [1,1,0,0,0,0|0,0,1]=3 8491 B14R0.392 CNCCCCCCOCCCCCO 2230a_106832991635_200132310570 [1,1,0,0,0,0|1,0,1]=4 8492 B14R0.392 CNCCCCCCOCCCCCO 34a_100102657272_200132310570 [1,1,0,0,0,0|1,0,1]=4 8493 B14R0.392 CNCCCCCCOCCCCCO 7a_106832991635_200132310570 [1,1,0,0,0,0|1,0,1]=4 8494 B14R0.392 CNCCCCCOCCCCCCO 34a_100000722520_100000766143 [1,1,0,0,0,0|1,0,1]=4 8495 B14R0.392 CNCCCOCCCCCCCCO 34a_100000213112_100000033203 [1,1,0,0,0,0|1,0,1]=4 8496 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [1,1,0,0,0,0|1,0,1]=4 8497 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [1,1,0,0,0,0|1,0,1]=4 8498 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 8499 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [1,1,0,0,0,0|0,0,1]=3 8500 B14R0.392 COCCCCCCNCCCCCO 2230a_100000762737_100011998445 [1,1,0,0,0,0|1,0,1]=4 8501 B14R0.392 COCCCCCCNCCCCCO 34a_100000762737_100011998445 [1,1,0,0,0,0|1,0,1]=4 8502 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [1,1,0,0,0,0|1,0,0]=3 8503 B14R0.392 COCCCCCCOCCCCCO 34a_100138415774_200132310570 [1,1,0,0,0,0|1,0,1]=4 8504 B14R0.392 COCCCCCCOCCCCCO 34a_200012092642_100000746330 [1,1,0,0,0,0|1,0,1]=4 8505 B14R0.392 COCCCCCCOCCCCCO 7a_200012092642_100000746330 [1,1,0,0,0,0|1,0,1]=4 8506 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [1,1,0,0,0,0|1,0,0]=3 8507 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [1,1,0,0,0,0|1,0,0]=3 8508 B14R0.392 COCCCCCCSCCCCCO 62a_100000746330_100011998445 [1,1,0,0,0,0|1,0,1]=4 8509 B14R0.392 COCCCCCCSCCCCCO 62a_100011998445_100000746330 [1,1,0,0,0,0|1,0,1]=4 8510 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [1,1,0,0,0,0|1,0,0]=3 8511 B14R0.392 COCCCCCNCCCCCCO 2230a_100000747528_100000766143 [1,1,0,0,0,0|1,0,1]=4 8512 B14R0.392 COCCCCCNCCCCCCO 34a_100000747528_100000766143 [1,1,0,0,0,0|1,0,1]=4 8513 B14R0.392 COCCCCNCCCCCCCO 2230a_100011996573_100000730899 [1,1,0,0,0,0|1,0,1]=4 8514 B14R0.392 COCCCCNCCCCCCCO 34a_100011996573_100000755781 [1,1,0,0,0,0|1,0,1]=4 8515 B14R0.392 COCCCCOCCCCCCCO 34a_100000740925_100000760002 [1,1,0,0,0,0|1,0,1]=4 8516 B14R0.392 COCCCCSCCCCCCCO 62a_100000730899_100000760002 [1,1,0,0,0,0|1,0,1]=4 8517 B14R0.392 COCCCCSCCCCCCCO 62a_100000760002_100000730899 [1,1,0,0,0,0|1,0,1]=4 8518 B14R0.392 COCCCNCCCCCCCCO 2230a_102515433106_100000740836 [1,1,0,0,0,0|1,0,1]=4 8519 B14R0.392 COCCCNCCCCCCCCO 34a_100150723488_100000033203 [1,1,0,0,0,0|1,0,1]=4 8520 B14R0.392 COCCCNCCCCCCCCO 34a_102515433106_100000740836 [1,1,0,0,0,0|1,0,1]=4 8521 B14R0.392 COCCCOCCCCCCCCO 34a_100000740835_100000033203 [1,1,0,0,0,0|1,0,1]=4 8522 B14R0.392 COCCCOCCCOCCCC=O 7a_200011215475_200011292268 [1,1,0,0,0,0|2,0,0]=4 8523 B14R0.392 COCCCSCCCCCCCCO 62a_100000033203_100000709357 [1,1,0,0,0,0|1,0,1]=4 8524 B14R0.392 COCCCSCCCCCCCCO 62a_100000709357_100000033203 [1,1,0,0,0,0|1,0,1]=4 8525 B14R0.392 COCCNCCCCCCCCCO 2230a_100000078944_100011201679 [1,1,0,0,0,0|1,0,1]=4 8526 B14R0.392 COCCNCCCCCCCCCO 2230a_100000209980_100009813782 [1,1,0,0,0,0|1,0,1]=4 8527 B14R0.392 COCCNCCCCCCCCCO 34a_100000078944_100011201679 [1,1,0,0,0,0|1,0,1]=4 8528 B14R0.392 COCCOCCCCCCCCCO 34a_100000210237_100009813782 [1,1,0,0,0,0|1,0,1]=4 8529 B14R0.392 COCCOCCCNCCCCC=O 2230a_100000206027_100000139335 [1,1,0,0,0,0|2,0,0]=4 8530 B14R0.392 COCCOCCCSCCCCC=O 62a_100000139335_100011216529 [1,1,0,0,0,0|2,0,0]=4 8531 B14R0.392 COCCOCCCSCCCCC=O 62a_100011216529_100000139335 [1,1,0,0,0,0|2,0,0]=4 8532 B14R0.392 COCCOCCNCCCCCC=O 2230a_100000745349_100000139337 [1,1,0,0,0,0|2,0,0]=4 8533 B14R0.392 COCCOCCOCCCCCC=O 7a_100011215163_100000139337 [1,1,0,0,0,0|2,0,0]=4 8534 B14R0.392 COCCOCCSCCCCCC=O 62a_100000139337_100000695917 [1,1,0,0,0,0|2,0,0]=4 8535 B14R0.392 COCCOCCSCCCCCC=O 62a_100000695917_100000139337 [1,1,0,0,0,0|2,0,0]=4 8536 B14R0.392 COCCSCCCCCCCCCO 62a_100000233755_100009813782 [1,1,0,0,0,0|1,0,1]=4 8537 B14R0.392 COCCSCCCCCCCCCO 62a_100009813782_100000233755 [1,1,0,0,0,0|1,0,1]=4 8538 B14R0.392 COCNCCCCCCCCCCO 2230a_100000066964_100000766300 [1,1,0,0,0,0|1,0,1]=4 8539 B14R0.392 COCSCCCCCCCCCCO 62a_100000766300_200000033068 [1,1,0,0,0,0|1,0,1]=4 8540 B14R0.392 COCSCCCCCCCCCCO 62a_100009813290_100000766300 [1,1,0,0,0,0|1,0,1]=4 8541 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [1,1,0,0,0,0|0,0,1]=3 8542 B14R0.392 CSCCCCCCOCCCCCO 62a_200000210301_200132310570 [1,1,0,0,0,0|1,0,1]=4 8543 B14R0.392 CSCCCCCCOCCCCCO 62a_200132310570_200000210301 [1,1,0,0,0,0|1,0,1]=4 8544 B14R0.392 CSCCCCOCCCCCCCO 34a_100011217163_100000760002 [1,1,0,0,0,0|1,0,1]=4 8545 B14R0.392 CSCCCCOCCCCCCCO 7a_100011217163_100000760002 [1,1,0,0,0,0|1,0,1]=4 8546 B14R0.392 CSCCCNCCCCCCCCO 2230a_100000749238_100000033203 [1,1,0,0,0,0|1,0,1]=4 8547 B14R0.392 CSCCCOCCCCCCCCO 34a_100000690336_100000033203 [1,1,0,0,0,0|1,0,1]=4 8548 B14R0.392 CSCCCOCCCCCCCCO 7a_100000690336_100000033203 [1,1,0,0,0,0|1,0,1]=4 8549 B14R0.392 CSCCNCCCCCCCCCO 2230a_100000078944_100000751147 [1,1,0,0,0,0|1,0,1]=4 8550 B14R0.392 CSCCNCCCCCCCCCO 2230a_100020590264_100009813782 [1,1,0,0,0,0|1,0,1]=4 8551 B14R0.392 CSCCNCCCCCCCCCO 34a_100000078944_100000212216 [1,1,0,0,0,0|1,0,1]=4 8552 B14R0.392 CSCCOCCCCCCCCCO 34a_100000230434_100009813782 [1,1,0,0,0,0|1,0,1]=4 8553 B14R0.392 CSCCOCCCCCCCCCO 7a_100000230434_100009813782 [1,1,0,0,0,0|1,0,1]=4 8554 B14R0.392 CSCCSCCCCCCCCCO 62a_100000212216_100009813782 [1,1,0,0,0,0|1,0,1]=4 8555 B14R0.392 CSCCSCCCCCCCCCO 62a_100009813782_100000751147 [1,1,0,0,0,0|1,0,1]=4 8556 B14R0.392 CSCNCCCCCCCCCCO 2230a_100000066964_100011218213 [1,1,0,0,0,0|1,0,1]=4 8557 B14R0.392 CSCNCCCCCCCCCCO 34a_100000066964_100011218213 [1,1,0,0,0,0|1,0,1]=4 8558 B14R0.392 CSCSCCCCCCCCCCO 62a_100009813290_100011218213 [1,1,0,0,0,0|1,0,1]=4 8559 B14R0.392 CSCSCCCCCCCCCCO 62a_100011218213_200000033068 [1,1,0,0,0,0|1,0,1]=4 8560 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [1,1,0,0,0,0|1,0,1]=4 8561 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [1,1,0,0,0,0|1,0,1]=4 8562 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [1,1,0,0,0,0|1,0,1]=4 8563 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [1,1,0,0,0,0|1,0,1]=4 8564 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [1,1,0,0,0,0|1,0,0]=3 8565 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 8566 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 8567 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [1,1,0,0,0,0|1,0,1]=4 8568 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 8569 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 8570 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 8571 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 8572 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [1,1,0,0,0,0|1,0,1]=4 8573 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [1,1,0,0,0,0|1,0,1]=4 8574 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [1,1,0,0,0,0|1,0,0]=3 8575 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [1,1,0,0,0,0|1,0,0]=3 8576 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [1,1,0,0,0,0|1,0,0]=3 8577 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [1,1,0,0,0,0|1,0,0]=3 8578 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [1,1,0,0,0,0|1,0,1]=4 8579 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [1,1,0,0,0,0|1,0,0]=3 8580 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [1,1,0,0,0,0|1,0,0]=3 8581 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [1,1,0,0,0,0|1,0,0]=3 8582 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [1,1,0,0,0,0|1,0,0]=3 8583 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [1,1,0,0,0,0|1,0,0]=3 8584 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [1,1,0,0,0,0|2,0,0]=4 8585 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [1,1,0,0,0,0|1,0,0]=3 8586 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [1,1,0,0,0,0|1,0,0]=3 8587 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [1,1,0,0,0,0|1,0,0]=3 8588 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [1,1,0,0,0,0|1,0,0]=3 8589 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [1,1,0,0,0,0|1,0,0]=3 8590 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [1,1,0,0,0,0|1,0,0]=3 8591 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [1,1,0,0,0,0|1,0,0]=3 8592 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [1,1,0,0,0,0|1,0,0]=3 8593 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [1,1,0,0,0,0|1,0,0]=3 8594 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [1,1,0,0,0,0|1,0,0]=3 8595 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [1,1,0,0,0,0|1,0,0]=3 8596 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [1,1,0,0,0,0|1,0,0]=3 8597 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [1,1,0,0,0,0|1,0,0]=3 8598 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [1,1,0,0,0,0|1,0,0]=3 8599 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [1,1,0,0,0,0|1,0,0]=3 8600 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [1,1,0,0,0,0|1,0,0]=3 8601 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [1,1,0,0,0,0|1,0,1]=4 8602 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [1,1,0,0,0,0|1,0,1]=4 8603 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [1,1,0,0,0,0|1,0,1]=4 8604 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [1,1,0,0,0,0|1,0,1]=4 8605 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 8606 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [1,1,0,0,0,0|1,0,1]=4 8607 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 8608 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [1,1,0,0,0,0|1,0,1]=4 8609 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [1,1,0,0,0,0|1,0,1]=4 8610 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [1,1,0,0,0,0|1,0,1]=4 8611 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [1,1,0,0,0,0|1,0,1]=4 8612 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [1,1,0,0,0,0|1,0,1]=4 8613 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [1,1,0,0,0,0|1,0,1]=4 8614 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [1,1,0,0,0,0|1,0,1]=4 8615 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [1,1,0,0,0,0|1,0,1]=4 8616 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [1,1,0,0,0,0|1,0,1]=4 8617 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [1,1,0,0,0,0|1,0,1]=4 8618 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 8619 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 8620 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [1,1,0,0,0,0|1,0,1]=4 8621 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [1,1,0,0,0,0|1,0,1]=4 8622 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [1,1,0,0,0,0|1,0,1]=4 8623 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [1,1,0,0,0,0|1,0,1]=4 8624 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [1,1,0,0,0,0|1,0,1]=4 8625 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [1,1,0,0,0,0|1,0,1]=4 8626 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [1,1,0,0,0,0|1,0,1]=4 8627 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [1,1,0,0,0,0|1,0,1]=4 8628 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [1,1,0,0,0,0|1,0,1]=4 8629 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 8630 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [1,1,0,0,0,0|1,0,1]=4 8631 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 8632 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [1,1,0,0,0,0|1,0,1]=4 8633 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [1,1,0,0,0,0|1,0,1]=4 8634 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [1,1,0,0,0,0|1,0,1]=4 8635 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [1,1,0,0,0,0|1,0,1]=4 8636 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [1,1,0,0,0,0|1,0,1]=4 8637 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [1,1,0,0,0,0|1,0,1]=4 8638 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [1,1,0,0,0,0|1,0,1]=4 8639 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [1,1,0,0,0,0|1,0,1]=4 8640 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [1,1,0,0,0,0|1,0,1]=4 8641 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [1,1,0,0,0,0|1,0,1]=4 8642 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [1,1,0,0,0,0|1,0,1]=4 8643 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [1,1,0,0,0,0|1,0,1]=4 8644 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [1,1,0,0,0,0|1,0,1]=4 8645 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 8646 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 8647 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 8648 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 8649 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [1,1,0,0,0,0|1,0,1]=4 8650 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [1,1,0,0,0,0|1,0,1]=4 8651 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [1,1,0,0,0,0|1,0,1]=4 8652 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [1,1,0,0,0,0|1,0,1]=4 8653 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [1,1,0,0,0,0|1,0,1]=4 8654 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [1,1,0,0,0,0|1,0,1]=4 8655 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [1,1,0,0,0,0|1,0,1]=4 8656 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [1,1,0,0,0,0|1,0,1]=4 8657 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [1,1,0,0,0,0|1,0,1]=4 8658 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [1,1,0,0,0,0|1,0,1]=4 8659 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [1,1,0,0,0,0|1,0,1]=4 8660 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [1,1,0,0,0,0|1,0,1]=4 8661 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 8662 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 8663 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [1,1,0,0,0,0|1,0,1]=4 8664 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [1,1,0,0,0,0|1,0,1]=4 8665 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [1,1,0,0,0,0|1,0,1]=4 8666 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [1,1,0,0,0,0|1,0,1]=4 8667 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [1,1,0,0,0,0|1,0,1]=4 8668 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [1,1,0,0,0,0|1,0,1]=4 8669 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [1,1,0,0,0,0|1,0,1]=4 8670 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [1,1,0,0,0,0|1,0,1]=4 8671 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [1,1,0,0,0,0|1,0,1]=4 8672 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [1,1,0,0,0,0|1,0,1]=4 8673 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [1,1,0,0,0,0|1,0,1]=4 8674 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [1,1,0,0,0,0|1,0,1]=4 8675 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [1,1,0,0,0,0|1,0,1]=4 8676 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [1,1,0,0,0,0|1,0,1]=4 8677 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [1,1,0,0,0,0|1,0,1]=4 8678 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [1,1,0,0,0,0|1,0,1]=4 8679 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [1,1,0,0,0,0|1,0,1]=4 8680 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [1,1,0,0,0,0|1,0,1]=4 8681 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [1,1,0,0,0,0|1,0,1]=4 8682 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [1,1,0,0,0,0|1,0,1]=4 8683 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [1,1,0,0,0,0|1,0,1]=4 8684 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [1,1,0,0,0,0|1,0,1]=4 8685 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [1,1,0,0,0,0|1,0,1]=4 8686 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [1,1,0,0,0,0|0,0,1]=3 8687 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [1,1,0,0,0,0|0,0,1]=3 8688 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [1,1,0,0,0,0|1,0,1]=4 8689 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [1,1,0,0,0,0|1,0,1]=4 8690 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 8691 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [1,1,0,0,0,0|0,0,1]=3 8692 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200025704644_200132310570 [1,1,0,0,0,0|1,0,1]=4 8693 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200132310570_200025704644 [1,1,0,0,0,0|1,0,1]=4 8694 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [1,1,0,0,0,0|1,0,1]=4 8695 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [1,1,0,0,0,0|1,0,1]=4 8696 B14R0.393 C=CCC(C)COCCCCCCCC 34a_100009832082_100000210759 [1,1,0,0,0,0|2,0,0]=4 8697 B14R0.393 C=CCC(C)COCCCCCCCC 7a_100009832082_100000210759 [1,1,0,0,0,0|2,0,0]=4 8698 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [1,1,0,0,0,0|1,0,1]=4 8699 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [1,1,0,0,0,0|1,0,1]=4 8700 B14R0.393 C=CCCCCCCCCN(C)CCC 2230a_100000747261_100011933949 [1,1,0,0,0,0|2,0,0]=4 8701 B14R0.393 C=CCCCCCCCCN(C)CCC 269982a_100000747261_100011933949 [1,1,0,0,0,0|2,0,0]=4 8702 B14R0.393 C=CCCCCCCCNC(C)CCC 2230a_100000741246_100012355270 [1,1,0,0,0,0|2,0,0]=4 8703 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000730831_100000766640 [1,1,0,0,0,0|2,0,0]=4 8704 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000764384_100012355270 [1,1,0,0,0,0|2,0,0]=4 8705 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000730831_100000766640 [1,1,0,0,0,0|2,0,0]=4 8706 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000764384_100012355270 [1,1,0,0,0,0|2,0,0]=4 8707 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_100000688023_100011215473 [1,1,0,0,0,0|2,0,0]=4 8708 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_200011216477_100011216630 [1,1,0,0,0,0|2,0,0]=4 8709 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_100000688023_100011215473 [1,1,0,0,0,0|2,0,0]=4 8710 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_200011216477_100011216630 [1,1,0,0,0,0|2,0,0]=4 8711 B14R0.393 C=CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215473 [1,1,0,0,0,0|2,0,0]=4 8712 B14R0.393 C=CCCCCCOCCC(C)CCC 34a_100011217855_100000700193 [1,1,0,0,0,0|2,0,0]=4 8713 B14R0.393 C=CCCCCCOCCC(C)CCC 7a_100011217855_100000700193 [1,1,0,0,0,0|2,0,0]=4 8714 B14R0.393 C=CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000700193 [1,1,0,0,0,0|2,0,0]=4 8715 B14R0.393 C=CCCCCOCCCC(C)CCC 34a_100011713154_100011215482 [1,1,0,0,0,0|2,0,0]=4 8716 B14R0.393 C=CCCCCOCCCC(C)CCC 7a_100011713154_100011215482 [1,1,0,0,0,0|2,0,0]=4 8717 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000207566_100000210623 [1,1,0,0,0,0|2,0,0]=4 8718 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000225617_100000210320 [1,1,0,0,0,0|2,0,0]=4 8719 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000207566_100000210623 [1,1,0,0,0,0|2,0,0]=4 8720 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000225617_100000210320 [1,1,0,0,0,0|2,0,0]=4 8721 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 34a_100000731007_100011214924 [1,1,0,0,0,0|2,0,0]=4 8722 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 7a_100000731007_100000210328 [1,1,0,0,0,0|2,0,0]=4 8723 B14R0.393 C=CC[C@@H](N)COCCCCCCCC 34a_100020615467_100000210759 [1,1,0,0,0,0|2,0,0]=4 8724 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [1,1,0,0,0,0|0,0,2]=4 8725 B14R0.393 CCCC(C)CCCOCCCCC=O 7a_100011713154_100000139335 [1,1,0,0,0,0|1,0,0]=3 8726 B14R0.393 CCCC(C)CCCOCCCCCO 34a_100011713154_100000746330 [1,1,0,0,0,0|1,0,1]=4 8727 B14R0.393 CCCC(C)CCCOCCCCCO 7a_100011713154_100000746330 [1,1,0,0,0,0|1,0,1]=4 8728 B14R0.393 CCCC(C)CCOCCCCCC=O 7a_100011217855_100000139337 [1,1,0,0,0,0|1,0,0]=3 8729 B14R0.393 CCCC(C)CCOCCCCCCO 34a_100011217855_100000766143 [1,1,0,0,0,0|1,0,1]=4 8730 B14R0.393 CCCC(C)CCOCCCCCCO 7a_100011217855_100000766143 [1,1,0,0,0,0|1,0,1]=4 8731 B14R0.393 CCCC(C)CNCCCCCCCO 2230a_100011996573_100011216630 [1,1,0,0,0,0|1,0,1]=4 8732 B14R0.393 CCCC(C)CNCCCCCCCO 270004a_100011996573_100000243154 [1,1,0,0,0,0|1,0,1]=4 8733 B14R0.393 CCCC(C)CNCCCCCCCO 34a_100011996573_100011216630 [1,1,0,0,0,0|1,0,1]=4 8734 B14R0.393 CCCC(C)COCCCCCCCO 34a_100000688023_100000760002 [1,1,0,0,0,0|1,0,1]=4 8735 B14R0.393 CCCC(C)COCCCCCCCO 7a_100000688023_100000760002 [1,1,0,0,0,0|1,0,1]=4 8736 B14R0.393 CCCC(C)CSCCCCCCCO 62a_100000760002_100011216630 [1,1,0,0,0,0|1,0,1]=4 8737 B14R0.393 CCCC(C)CSCCCCCCCO 62a_100011216630_100000760002 [1,1,0,0,0,0|1,0,1]=4 8738 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_100000741246_100000033203 [1,1,0,0,0,0|1,0,1]=4 8739 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_102515433106_100000766640 [1,1,0,0,0,0|1,0,1]=4 8740 B14R0.393 CCCC(C)NCCCCCCCCO 270004a_102515433106_100000211909 [1,1,0,0,0,0|1,0,1]=4 8741 B14R0.393 CCCC(C)NCCCCCCCCO 34a_102515433106_100000766640 [1,1,0,0,0,0|1,0,1]=4 8742 B14R0.393 CCCC(C)OCCCCCCCCO 34a_100000764384_100000033203 [1,1,0,0,0,0|1,0,1]=4 8743 B14R0.393 CCCC(C)OCCCCCCCCO 7a_100000764384_100000033203 [1,1,0,0,0,0|1,0,1]=4 8744 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000033203_100000766640 [1,1,0,0,0,0|1,0,1]=4 8745 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000766640_100000033203 [1,1,0,0,0,0|1,0,1]=4 8746 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [1,1,0,0,0,0|0,0,2]=4 8747 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [1,1,0,0,0,0|0,0,2]=4 8748 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [1,1,0,0,0,0|1,0,0]=3 8749 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [1,1,0,0,0,0|1,0,0]=3 8750 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000207566_100000211926 [1,1,0,0,0,0|1,0,1]=4 8751 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000210263_100000210320 [1,1,0,0,0,0|1,0,1]=4 8752 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000207566_100000211926 [1,1,0,0,0,0|1,0,1]=4 8753 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000210263_100000210320 [1,1,0,0,0,0|1,0,1]=4 8754 B14R0.393 CCCCCCCCCNC(C)CCO 2230a_100000212291_100009893172 [1,1,0,0,0,0|1,0,1]=4 8755 B14R0.393 CCCCCCCCCNC(C)CCO 34a_100000212291_100009893172 [1,1,0,0,0,0|1,0,1]=4 8756 B14R0.393 CCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011214924 [1,1,0,0,0,0|1,0,1]=4 8757 B14R0.393 CCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011214924 [1,1,0,0,0,0|1,0,1]=4 8758 B14R0.393 CCCCCCCCCOC(C)CCO 34a_100000210712_100009893172 [1,1,0,0,0,0|1,0,1]=4 8759 B14R0.393 CCCCCCCCCOC(C)CCO 7a_100000210712_100009893172 [1,1,0,0,0,0|1,0,1]=4 8760 B14R0.393 CCCCCCCCCSC(C)CCO 62a_100009893172_100000210670 [1,1,0,0,0,0|1,0,1]=4 8761 B14R0.393 CCCN(C)CCCCCCCCCO 2230a_100000747261_100009813782 [1,1,0,0,0,0|1,0,1]=4 8762 B14R0.393 CCCN(C)CCCCCCCCCO 269982a_100000747261_100009813782 [1,1,0,0,0,0|1,0,1]=4 8763 B14R0.393 CCC[C@H](N)CCOCCCCCCO 34a_100015193777_100000766143 [1,1,0,0,0,0|1,0,1]=4 8764 B14R0.393 CCC[C@H](N)COCCCCCCCO 34a_100000732646_100000760002 [1,1,0,0,0,0|1,0,1]=4 8765 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [1,1,0,0,0,0|1,0,1]=4 8766 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [1,1,0,0,0,0|1,0,1]=4 8767 B14R0.493 C=CCCC(C)NCCCCCCCC 270004a_100000229939_100000762624 [1,1,0,0,0,0|2,0,0]=4 8768 B14R0.493 C=CCCC(C)OCCCCCCCC 34a_100000765329_100000210759 [1,1,0,0,0,0|2,0,0]=4 8769 B14R0.493 C=CCCC(C)OCCCCCCCC 7a_100000765329_100000210759 [1,1,0,0,0,0|2,0,0]=4 8770 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [1,1,0,0,0,0|1,0,1]=4 8771 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [1,1,0,0,0,0|1,0,1]=4 8772 B14R0.493 C=CCCCCCCCN(C)CCCC 2230a_100000207549_100012355270 [1,1,0,0,0,0|2,0,0]=4 8773 B14R0.493 C=CCCCCCCCN(C)CCCC 269982a_100000207549_100012355270 [1,1,0,0,0,0|2,0,0]=4 8774 B14R0.493 C=CCCCCCCNC(C)CCCC 2230a_100000126638_100011215473 [1,1,0,0,0,0|2,0,0]=4 8775 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_100000687866_100011215473 [1,1,0,0,0,0|2,0,0]=4 8776 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_200011216477_200011215066 [1,1,0,0,0,0|2,0,0]=4 8777 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_100000687866_100011215473 [1,1,0,0,0,0|2,0,0]=4 8778 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_200011216477_200011215066 [1,1,0,0,0,0|2,0,0]=4 8779 B14R0.493 C=CCCCCCOCC(C)CCCC 34a_100011995851_100000700193 [1,1,0,0,0,0|2,0,0]=4 8780 B14R0.493 C=CCCCCCOCC(C)CCCC 7a_100011995851_100000700193 [1,1,0,0,0,0|2,0,0]=4 8781 B14R0.493 C=CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000700193 [1,1,0,0,0,0|2,0,0]=4 8782 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100000232482_100000754431 [1,1,0,0,0,0|2,0,0]=4 8783 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100020639649_100011214924 [1,1,0,0,0,0|2,0,0]=4 8784 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100000232482_100000754431 [1,1,0,0,0,0|2,0,0]=4 8785 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100020639649_100000210670 [1,1,0,0,0,0|2,0,0]=4 8786 B14R0.493 C=CCCOCCCCC(C)CCCC 34a_200011021034_100000754431 [1,1,0,0,0,0|2,0,0]=4 8787 B14R0.493 C=CCCOCCCCC(C)CCCC 7a_200011021034_100000754431 [1,1,0,0,0,0|2,0,0]=4 8788 B14R0.493 C=CCNC(C)CCCCCCCCC 270004a_100020586998_100011215753 [1,1,0,0,0,0|2,0,0]=4 8789 B14R0.493 C=CCOC(C)CCCCCCCCC 34a_100011218016_100015514636 [1,1,0,0,0,0|2,0,0]=4 8790 B14R0.493 C=CCOC(C)CCCCCCCCC 7a_100011218016_100015514636 [1,1,0,0,0,0|2,0,0]=4 8791 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [1,1,0,0,0,0|0,0,2]=4 8792 B14R0.493 CCCCC(C)CCCCOCCCO 34a_200011021034_100000230001 [1,1,0,0,0,0|1,0,1]=4 8793 B14R0.493 CCCCC(C)CCCCOCCCO 7a_200011021034_100011215043 [1,1,0,0,0,0|1,0,1]=4 8794 B14R0.493 CCCCC(C)COCCCCCC=O 7a_100011995851_100000139337 [1,1,0,0,0,0|1,0,0]=3 8795 B14R0.493 CCCCC(C)COCCCCCCO 34a_100011995851_100000766143 [1,1,0,0,0,0|1,0,1]=4 8796 B14R0.493 CCCCC(C)COCCCCCCO 7a_100011995851_100000766143 [1,1,0,0,0,0|1,0,1]=4 8797 B14R0.493 CCCCC(C)NCCCCCCCO 2230a_100000126638_100000760002 [1,1,0,0,0,0|1,0,1]=4 8798 B14R0.493 CCCCC(C)NCCCCCCCO 2230a_100011996573_200011215066 [1,1,0,0,0,0|1,0,1]=4 8799 B14R0.493 CCCCC(C)NCCCCCCCO 270004a_100011996573_100000210087 [1,1,0,0,0,0|1,0,1]=4 8800 B14R0.493 CCCCC(C)NCCCCCCCO 34a_100011996573_200011215066 [1,1,0,0,0,0|1,0,1]=4 8801 B14R0.493 CCCCC(C)OCCCCCCCO 34a_100000687866_100000760002 [1,1,0,0,0,0|1,0,1]=4 8802 B14R0.493 CCCCC(C)OCCCCCCCO 7a_100000687866_100000760002 [1,1,0,0,0,0|1,0,1]=4 8803 B14R0.493 CCCCC(C)SCCCCCCCO 62a_100000760002_200011215066 [1,1,0,0,0,0|1,0,1]=4 8804 B14R0.493 CCCCC(C)SCCCCCCCO 62a_200011215066_100000760002 [1,1,0,0,0,0|1,0,1]=4 8805 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [1,1,0,0,0,0|0,0,2]=4 8806 B14R0.493 CCCCCCCCCC(C)NCCO 270004a_100000210304_100011215753 [1,1,0,0,0,0|1,0,1]=4 8807 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [1,1,0,0,0,0|1,0,0]=3 8808 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [1,1,0,0,0,0|1,0,0]=3 8809 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [1,1,0,0,0,0|1,0,1]=4 8810 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [1,1,0,0,0,0|1,0,1]=4 8811 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000213112_100011214924 [1,1,0,0,0,0|1,0,1]=4 8812 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000232482_100000230001 [1,1,0,0,0,0|1,0,1]=4 8813 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000213112_100000210670 [1,1,0,0,0,0|1,0,1]=4 8814 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000232482_100011215043 [1,1,0,0,0,0|1,0,1]=4 8815 B14R0.493 CCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210681 [1,1,0,0,0,0|1,0,1]=4 8816 B14R0.493 CCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210614 [1,1,0,0,0,0|1,0,1]=4 8817 B14R0.493 CCCCN(C)CCCCCCCCO 2230a_100000207549_100000033203 [1,1,0,0,0,0|1,0,1]=4 8818 B14R0.493 CCCCN(C)CCCCCCCCO 269982a_100000207549_100000033203 [1,1,0,0,0,0|1,0,1]=4 8819 B14R0.493 CCCC[C@H](N)COCCCCCCO 34a_100011934283_100000766143 [1,1,0,0,0,0|1,0,1]=4 8820 B14R0.493 CCCOC(C)CNCCCCCC=O 2230a_100015185124_100000139337 [1,1,0,0,0,0|2,0,0]=4 8821 B14R0.493 CCOCC(O)CNCCCCCC=O 2230a_102515437182_100000139337 [1,1,0,0,0,0|2,0,0]=4 8822 B14R0.493 C[C@H](CCCO)CNCCCCCC=O 2230a_100160569302_100000139337 [1,1,0,0,0,0|2,0,0]=4 8823 B16R0.60 CC(C)C[C@H](N)CCOCCCCCC(=O)N 34a_100161151251_100009817443 [0,2,0,0,0,0|2,0,0]=4 8824 B16R0.67 CC(C(=O)O)N(C)CCCCCCCCCO 269956a_100000749554_100009813782 [0,2,0,0,0,0|2,0,0]=4 8825 B16R0.67 CCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210375_100000179758 [0,2,0,0,0,0|1,0,1]=4 8826 B16R0.67 CCCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210375_100000702099 [0,2,0,0,0,0|1,0,1]=4 8827 B16R0.67 CCCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210375_100009813875 [0,2,0,0,0,0|1,0,1]=4 8828 B16R0.67 CCCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210375_100020610796 [0,2,0,0,0,0|0,0,2]=4 8829 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)C 2230a_100000207566_100009814033 [0,2,0,0,0,0|2,0,0]=4 8830 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)C 269982a_100000207566_100009814033 [0,2,0,0,0,0|2,0,0]=4 8831 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)N 2230a_100000207566_100000702099 [0,2,0,0,0,0|2,0,0]=4 8832 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)N 269982a_100000207566_100000184083 [0,2,0,0,0,0|2,0,0]=4 8833 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210320 [0,2,0,0,0,0|1,0,0]=3 8834 B16R0.67 CCCCCCCCCCN(C)C(F)C(=O)N 2230a_100000207566_100009813875 [0,2,0,0,0,0|2,0,0]=4 8835 B16R0.67 CCCCCCCCCCN(C)C(F)C(=O)N 269982a_100000207566_100009813875 [0,2,0,0,0,0|2,0,0]=4 8836 B16R0.67 CCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011214924 [0,2,0,0,0,0|2,0,0]=4 8837 B16R0.110 CCCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218727 [0,2,0,0,0,0|1,0,0]=3 8838 B16R0.300 CCCCCCCCC(C)CN(C)CC(=O)N 270004a_100000739694_100011995885 [0,2,0,0,0,0|2,0,0]=4 8839 B16R0.302 C#CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100153394163 [0,2,0,0,0,0|0,0,2]=4 8840 B16R0.302 C=CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100009814027 [0,2,0,0,0,0|0,0,2]=4 8841 B16R0.302 C=CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012355270 [0,2,0,0,0,0|0,0,2]=4 8842 B16R0.302 CCCCC#CCCCNCC(O)CC(=O)O 269956a_100011218706_200000047210 [0,2,0,0,0,0|0,0,2]=4 8843 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,2,0,0,0,0|1,0,0]=3 8844 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,2,0,0,0,0|1,0,0]=3 8845 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,2,0,0,0,0|0,0,1]=3 8846 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,2,0,0,0,0|1,0,1]=4 8847 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,2,0,0,0,0|1,0,1]=4 8848 B16R0.302 CCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210736_100000761209 [0,2,0,0,0,0|1,0,1]=4 8849 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [0,2,0,0,0,0|1,0,0]=3 8850 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,2,0,0,0,0|0,0,0]=2 8851 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215454 [0,2,0,0,0,0|1,0,1]=4 8852 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011215454 [0,2,0,0,0,0|1,0,1]=4 8853 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 240690a_100000684558_100134613110 [0,2,0,0,0,0|1,0,1]=4 8854 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 527a_100000684558_100134613110 [0,2,0,0,0,0|1,0,1]=4 8855 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C 1458a_100000070787_100000210668 [0,2,0,0,0,0|1,0,1]=4 8856 B16R0.302 CCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210320 [0,2,0,0,0,0|2,0,0]=4 8857 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,2,0,0,0,0|0,0,0]=2 8858 B16R0.302 CN(CCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813290 [0,2,0,0,0,0|2,0,0]=4 8859 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,2,0,0,0,0|1,0,0]=3 8860 B16R0.302 NC(=O)CC(=O)CCCCCCCCCCO 1458a_100134613110_100009813290 [0,2,0,0,0,0|1,0,1]=4 8861 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,2,0,0,0,0|1,0,0]=3 8862 B16R0.657 CCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210320 [0,2,0,0,0,0|1,0,0]=3 8863 B16R0.657 CCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210320 [0,2,0,0,0,0|1,0,1]=4 8864 B16R0.657 CCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210670 [0,2,0,0,0,0|1,0,0]=3 8865 B16R0.657 CCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210670 [0,2,0,0,0,0|1,0,0]=3 8866 B16R0.657 CCN(CCCCCCCCCO)CC(=O)O 269956a_100000746405_100009813782 [0,2,0,0,0,0|2,0,0]=4 8867 B16R0.657 CC[C@H](CC(=O)O)NCCCCCCCCO 269956a_100016995926_100000033203 [0,2,0,0,0,0|2,0,0]=4 8868 B16R0.657 O=C(O)C[C@@H](CO)NCCCCCCCCO 269956a_100009816507_100000033203 [0,2,0,0,0,0|2,0,0]=4 8869 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210375_100000747405 [0,2,0,0,0,0|1,0,1]=4 8870 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210375_100000183359 [0,2,0,0,0,0|1,0,1]=4 8871 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210375_100000747449 [0,2,0,0,0,0|0,0,1]=3 8872 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210319 [0,2,0,0,0,0|0,0,1]=3 8873 B16R0.1182 CCCCCCCCCCN(C)CC(=O)CC 269982a_100000207566_100000747405 [0,2,0,0,0,0|2,0,0]=4 8874 B16R0.1182 CCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210320 [0,2,0,0,0,0|2,0,0]=4 8875 B16R0.1182 CCCCCCCCCCN(C)CC(=O)NC 2230a_100000207566_100000183359 [0,2,0,0,0,0|2,0,0]=4 8876 B16R0.1182 CCCCCCCCCCN(C)CC(=O)NC 269982a_100000207566_100000183359 [0,2,0,0,0,0|2,0,0]=4 8877 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210320 [0,2,0,0,0,0|1,0,0]=3 8878 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000207566_100000747449 [0,2,0,0,0,0|1,0,0]=3 8879 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 269982a_100000207566_100000747449 [0,2,0,0,0,0|1,0,0]=3 8880 B16R0.1182 CCCCCCCCCNC(=O)CC(=O)OC 240690a_100000212291_100000211351 [0,2,0,0,0,0|1,0,1]=4 8881 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 2230a_100000212291_100009817358 [0,2,0,0,0,0|1,0,0]=3 8882 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 34a_100000212291_100009817358 [0,2,0,0,0,0|1,0,0]=3 8883 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 34a_100000210712_100009817358 [0,2,0,0,0,0|1,0,0]=3 8884 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 7a_100000210712_100009817358 [0,2,0,0,0,0|1,0,0]=3 8885 B16R0.1182 CCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210670 [0,2,0,0,0,0|1,0,0]=3 8886 B16R0.1182 CCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000229939_100000754131 [0,2,0,0,0,0|1,0,0]=3 8887 B16R0.1182 CCCCCCCCOCC(=O)CC(=O)OC 1458a_100000759886_100000747449 [0,2,0,0,0,0|1,0,1]=4 8888 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210232_100000754131 [0,2,0,0,0,0|1,0,0]=3 8889 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210232_100000754131 [0,2,0,0,0,0|1,0,0]=3 8890 B16R0.1182 CCCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210317 [0,2,0,0,0,0|1,0,1]=4 8891 B16R0.1182 CCCCCCCCSCC(=O)CC(=O)OC 62a_100000210759_100000210525 [0,2,0,0,0,0|1,0,1]=4 8892 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210759_100000754131 [0,2,0,0,0,0|1,0,0]=3 8893 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210317 [0,2,0,0,0,0|1,0,0]=3 8894 B16R0.1182 CCCCCCOCCOC(C)CC(=O)OC 34a_100000691444_100009817358 [0,2,0,0,0,0|2,0,0]=4 8895 B16R0.1182 CCCCCCOCCOC(C)CC(=O)OC 7a_100000691444_100009817358 [0,2,0,0,0,0|2,0,0]=4 8896 B16R0.1182 CCCCCNCCOC[C@H](O)CC(=O)OC 34a_100000224656_100000754131 [0,2,0,0,0,0|2,0,0]=4 8897 B16R0.1182 CCCCCOCCOC[C@H](O)CC(=O)OC 34a_100011215259_100000754131 [0,2,0,0,0,0|2,0,0]=4 8898 B16R0.1182 CCCCCOCCOC[C@H](O)CC(=O)OC 7a_100011215259_100000754131 [0,2,0,0,0,0|2,0,0]=4 8899 B16R0.1182 CCCCNCCCCOC(C)CC(=O)OC 34a_200011216965_100009817358 [0,2,0,0,0,0|2,0,0]=4 8900 B16R0.1182 CCCCOCCCCOC(C)CC(=O)OC 34a_200000760531_100009817358 [0,2,0,0,0,0|2,0,0]=4 8901 B16R0.1182 CCCCOCCCCOC(C)CC(=O)OC 7a_200000760531_100009817358 [0,2,0,0,0,0|2,0,0]=4 8902 B16R0.1182 CCCCOCCCNC[C@H](O)CC(=O)OC 34a_200000211371_100000754131 [0,2,0,0,0,0|2,0,0]=4 8903 B16R0.1182 CCCCOCCCOC[C@H](O)CC(=O)OC 34a_200011215613_100000754131 [0,2,0,0,0,0|2,0,0]=4 8904 B16R0.1182 CCCCOCCCOC[C@H](O)CC(=O)OC 7a_200011215613_100000754131 [0,2,0,0,0,0|2,0,0]=4 8905 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747449 [0,2,0,0,0,0|1,0,1]=4 8906 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCO 1458a_100000211351_100009813782 [0,2,0,0,0,0|1,0,1]=4 8907 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 2230a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 8908 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 8909 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 34a_100009813846_100009817358 [0,2,0,0,0,0|2,0,0]=4 8910 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 7a_100009813846_100009817358 [0,2,0,0,0,0|2,0,0]=4 8911 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 34a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 8912 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 7a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 8913 B16R0.1182 COC(=O)CC(C)OCCCCCCCCN 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 8914 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 8915 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100009817358_100000033203 [0,2,0,0,0,0|2,0,0]=4 8916 B16R0.1182 COC(=O)CN(C)CCCCCCCCCO 2230a_100000198492_100009813782 [0,2,0,0,0,0|2,0,0]=4 8917 B16R0.1182 COC(=O)C[C@@H](O)CNCCCCCCCO 34a_100011996573_100000754131 [0,2,0,0,0,0|2,0,0]=4 8918 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 34a_100000760002_100000754131 [0,2,0,0,0,0|2,0,0]=4 8919 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 7a_100000760002_100000754131 [0,2,0,0,0,0|2,0,0]=4 8920 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCN 34a_100011996573_100000754131 [0,2,0,0,0,0|2,0,0]=4 8921 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000754131_100000760002 [0,2,0,0,0,0|2,0,0]=4 8922 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000760002_100000754131 [0,2,0,0,0,0|2,0,0]=4 8923 B16R0.1182 COCCCCCCOC[C@H](O)CC(=O)OC 34a_200012092642_100000754131 [0,2,0,0,0,0|2,0,0]=4 8924 B16R0.1182 COCCCCCCOC[C@H](O)CC(=O)OC 7a_200012092642_100000754131 [0,2,0,0,0,0|2,0,0]=4 8925 B16R0.1182 COCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011998445 [0,2,0,0,0,0|2,0,0]=4 8926 B16R0.1182 COCCCCCCSC[C@H](O)CC(=O)OC 62a_100011998445_100000754131 [0,2,0,0,0,0|2,0,0]=4 8927 B16R0.1203 CCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011215753 [0,2,0,0,0,0|2,0,0]=4 8928 B16R0.8617 CC(C)(CC(=O)O)NCCCCCCCCO 269956a_100000755897_100000033203 [0,2,0,0,0,0|2,0,0]=4 8929 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100011214924 [0,2,0,0,0,0|2,0,0]=4 8930 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210670 [0,2,0,0,0,0|1,0,0]=3 8931 B16R0.8617 CCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210328 [0,2,0,0,0,0|2,0,0]=4 8932 B16R0.7 CCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210211 [0,2,0,0,0,0|0,0,1]=3 8933 B16R0.7 CCCCC(=O)CCCCCCCC(=O)OC 1458a_100000210183_100010004213 [0,2,0,0,0,0|0,0,1]=3 8934 B16R0.7 CCCCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000210183 [0,2,0,0,0,0|1,0,1]=4 8935 B16R0.7 CCCCC(C)CCCCOCCC(=O)NC 34a_200011021034_100012179268 [0,2,0,0,0,0|2,0,0]=4 8936 B16R0.7 CCCCC(C)CCCCOCCC(=O)NC 7a_200011021034_100000737683 [0,2,0,0,0,0|2,0,0]=4 8937 B16R0.7 CCCCC(C)CCCCOCCC(=O)OC 34a_200011021034_100000742370 [0,2,0,0,0,0|1,0,0]=3 8938 B16R0.7 CCCCC(C)CCCCOCCC(=O)OC 7a_200011021034_100000204255 [0,2,0,0,0,0|1,0,0]=3 8939 B16R0.7 CCCCC(C)COCCCCCC(=O)OC 34a_100011995851_100009816466 [0,2,0,0,0,0|1,0,0]=3 8940 B16R0.7 CCCCC(C)COCCCCCC(=O)OC 7a_100011995851_100009816466 [0,2,0,0,0,0|1,0,0]=3 8941 B16R0.7 CCCCC(C)NCCCCCCC(=O)OC 2230a_100000126638_100009815986 [0,2,0,0,0,0|1,0,0]=3 8942 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 34a_100000687866_100009815986 [0,2,0,0,0,0|1,0,0]=3 8943 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 34a_100009863599_200011215066 [0,2,0,0,0,0|1,0,0]=3 8944 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 7a_100000687866_100009815986 [0,2,0,0,0,0|1,0,0]=3 8945 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 7a_100009863599_200011215066 [0,2,0,0,0,0|1,0,0]=3 8946 B16R0.7 CCCCC(C)SCCCCCCC(=O)OC 62a_100009815986_200011215066 [0,2,0,0,0,0|1,0,0]=3 8947 B16R0.7 CCCCC(C)SCCCCCCC(=O)OC 62a_200011215066_100009815986 [0,2,0,0,0,0|1,0,0]=3 8948 B16R0.7 CCCCN(C)CCCCCCCC(=O)OC 2230a_100000207549_100010004213 [0,2,0,0,0,0|1,0,0]=3 8949 B16R0.7 CCCCN(C)CCCCCCCC(=O)OC 269982a_100000207549_100010004213 [0,2,0,0,0,0|1,0,0]=3 8950 B16R0.7 CCCC[C@H](N)COCCCCCC(=O)OC 34a_100011934283_100009816466 [0,2,0,0,0,0|1,0,0]=3 8951 B16R0.7 CCCNC(=O)CCCCCCCC(=O)OC 11a_100020643023_100000033222 [0,2,0,0,0,0|1,0,1]=4 8952 B16R0.7 CCCNC(=O)CCCCCCCC(=O)OC 1626a_100020643023_100000033222 [0,2,0,0,0,0|1,0,1]=4 8953 B16R0.7 CCCNC(=O)CCCCCCCC(=O)OC 240690a_100020643023_100000033222 [0,2,0,0,0,0|1,0,1]=4 8954 B16R0.7 CCCOC(C)CNCCCCCC(=O)OC 2230a_100015185124_100009816466 [0,2,0,0,0,0|2,0,0]=4 8955 B16R0.7 CCCOC(C)CNCCCCCC(=O)OC 34a_100015185124_100009816466 [0,2,0,0,0,0|2,0,0]=4 8956 B16R0.7 CCOCC(=O)CCCCCCCC(=O)OC 1458a_100000211967_100010004213 [0,2,0,0,0,0|1,0,1]=4 8957 B16R0.7 CCOCC(C)OCCCCCCC(=O)OC 34a_100000718985_100009815986 [0,2,0,0,0,0|2,0,0]=4 8958 B16R0.7 CCOCC(C)OCCCCCCC(=O)OC 7a_100000718985_100009815986 [0,2,0,0,0,0|2,0,0]=4 8959 B16R0.7 CCOCC(O)CNCCCCCC(=O)OC 2230a_102515437182_100009816466 [0,2,0,0,0,0|2,0,0]=4 8960 B16R0.7 CCOCC(O)CNCCCCCC(=O)OC 34a_102515437182_100009816466 [0,2,0,0,0,0|2,0,0]=4 8961 B16R0.7 CCSCC(=O)CCCCCCCC(=O)OC 1458a_100000230394_100010004213 [0,2,0,0,0,0|1,0,1]=4 8962 B16R0.7 COC(=O)CCCCCCCC(=O)CCCF 1458a_100000033222_100011934791 [0,2,0,0,0,0|1,0,1]=4 8963 B16R0.7 COC(=O)CCCCCCCC(=O)CCCO 1458a_100000033222_100011215043 [0,2,0,0,0,0|1,0,1]=4 8964 B16R0.7 COC(=O)CCCCCCCC(=O)CCSC 1458a_100000033222_100000751147 [0,2,0,0,0,0|1,0,1]=4 8965 B16R0.7 COC(=O)CCCCCCCC(=O)CCSC 1458a_100000174002_100010004213 [0,2,0,0,0,0|1,0,1]=4 8966 B16R0.7 COC(=O)CCCCCCCN(C)CCCO 2230a_100000213112_100010004213 [0,2,0,0,0,0|2,0,0]=4 8967 B16R0.7 COC(=O)CCCCCCCN(C)CCCO 269982a_100000213112_100010004213 [0,2,0,0,0,0|2,0,0]=4 8968 B16R0.7 COC(=O)CCCCCCCN(C)CCSC 2230a_100000686725_100010004213 [0,2,0,0,0,0|2,0,0]=4 8969 B16R0.7 COC(=O)CCCCCCCN(C)CCSC 269982a_100000686725_100010004213 [0,2,0,0,0,0|2,0,0]=4 8970 B16R0.7 COC(=O)CCCCCCOC(C)CCCCl 34a_200000718107_100009815986 [0,2,0,0,0,0|2,0,0]=4 8971 B16R0.7 COC(=O)CCCCCCOC(C)CCCCl 7a_200000718107_100009815986 [0,2,0,0,0,0|2,0,0]=4 8972 B16R0.7 COC(=O)CCCCCNC[C@H](C)CCCO 2230a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 8973 B16R0.7 COC(=O)CCCCCNC[C@H](C)CCCO 34a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 8974 B16R0.7 COC(=O)CCCCCOC[C@@H](N)CCSC 34a_100011827619_100009816466 [0,2,0,0,0,0|2,0,0]=4 8975 B16R0.7 COCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000233755 [0,2,0,0,0,0|1,0,1]=4 8976 B16R0.7 COCCC(=O)CCCCCCCC(=O)OC 1458a_100000749529_100010004213 [0,2,0,0,0,0|1,0,1]=4 8977 B16R0.7 COCCN(C)CCCCCCCC(=O)OC 2230a_100000743101_100010004213 [0,2,0,0,0,0|2,0,0]=4 8978 B16R0.7 COCCN(C)CCCCCCCC(=O)OC 269982a_100000743101_100010004213 [0,2,0,0,0,0|2,0,0]=4 8979 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000184674 [0,2,0,0,0,0|1,0,0]=3 8980 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011220946_100000759014 [0,2,0,0,0,0|1,0,0]=3 8981 B16R0.61 C#CCC(=O)CCCCCCCCCCCO 1458a_100011220946_100009812471 [0,2,0,0,0,0|2,0,0]=4 8982 B16R0.61 C#CCC(=O)NCCCCCCCCCCC 1626a_200011215754_100011220946 [0,2,0,0,0,0|2,0,0]=4 8983 B16R0.61 C#CCC(=O)NCCCCCCCCCCC 527a_200011215754_100011220946 [0,2,0,0,0,0|2,0,0]=4 8984 B16R0.61 C=CCC(=O)CCCCCCCCCCCO 1458a_100000210193_100009812471 [0,2,0,0,0,0|2,0,0]=4 8985 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 11a_200011215754_100000210193 [0,2,0,0,0,0|2,0,0]=4 8986 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000210193 [0,2,0,0,0,0|2,0,0]=4 8987 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000210193 [0,2,0,0,0,0|2,0,0]=4 8988 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 527a_200011215754_100000210193 [0,2,0,0,0,0|2,0,0]=4 8989 B16R0.61 C=CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011093070 [0,2,0,0,0,0|0,0,2]=4 8990 B16R0.61 C=CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011093070 [0,2,0,0,0,0|0,0,2]=4 8991 B16R0.61 C=COC(=O)CNCCCCCCCCCC 2230a_100000684558_100000036128 [0,2,0,0,0,0|1,0,0]=3 8992 B16R0.61 C=COC(=O)CNCCCCCCCCCC 34a_100000684558_100000036128 [0,2,0,0,0,0|1,0,0]=3 8993 B16R0.61 C=COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 8994 B16R0.61 C=COC(=O)CNCCCCCCCCCO 34a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 8995 B16R0.61 C=COC(=O)COCCCCCCCCCBr 34a_100009813782_100000036128 [0,2,0,0,0,0|2,0,0]=4 8996 B16R0.61 C=COC(=O)COCCCCCCCCCC 34a_100000210711_100000036128 [0,2,0,0,0,0|1,0,0]=3 8997 B16R0.61 C=COC(=O)COCCCCCCCCCCl 34a_100009868337_100000036128 [0,2,0,0,0,0|2,0,0]=4 8998 B16R0.61 C=COC(=O)COCCCCCCCCCN 34a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 8999 B16R0.61 C=COC(=O)CSCCCCCCCCCC 62a_100000036128_100000210320 [0,2,0,0,0,0|1,0,0]=3 9000 B16R0.61 C=COC(=O)CSCCCCCCCCCO 62a_100000036128_100009813782 [0,2,0,0,0,0|2,0,0]=4 9001 B16R0.61 C=COC(=O)CSCCCCCCCCCO 62a_100009813782_100000036128 [0,2,0,0,0,0|2,0,0]=4 9002 B16R0.61 CC#CC(=O)CCCCCCCCCCCC 1458a_100000763181_100000759014 [0,2,0,0,0,0|1,0,0]=3 9003 B16R0.61 CC#CC(=O)CCCCCCCCCCCO 1458a_100000763181_100009812471 [0,2,0,0,0,0|2,0,0]=4 9004 B16R0.61 CC=CC(=O)CCCCCCCCCCCO 1458a_100000210699_100009812471 [0,2,0,0,0,0|2,0,0]=4 9005 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000210699 [0,2,0,0,0,0|2,0,0]=4 9006 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000210699 [0,2,0,0,0,0|2,0,0]=4 9007 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000210699 [0,2,0,0,0,0|2,0,0]=4 9008 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [0,2,0,0,0,0|2,0,0]=4 9009 B16R0.61 CCCCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000043322 [0,2,0,0,0,0|0,0,2]=4 9010 B16R0.61 CCCCC#CCCCCCCC(=O)COC 1458a_100000210968_200000043322 [0,2,0,0,0,0|0,0,2]=4 9011 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100011215791_100011214920 [0,2,0,0,0,0|1,0,0]=3 9012 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000759014 [0,2,0,0,0,0|1,0,0]=3 9013 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [0,2,0,0,0,0|0,0,0]=2 9014 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [0,2,0,0,0,0|0,0,0]=2 9015 B16R0.61 CCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000759014 [0,2,0,0,0,0|0,0,0]=2 9016 B16R0.61 CCCCCCCCCCCCC(=O)NCC 11a_100015525214_100011215791 [0,2,0,0,0,0|1,0,0]=3 9017 B16R0.61 CCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100011215791 [0,2,0,0,0,0|1,0,0]=3 9018 B16R0.61 CCCCCCCCCCCCC(=O)NNC 22a_100016993582_100011215791 [0,2,0,0,0,0|1,0,0]=3 9019 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [0,2,0,0,0,0|2,0,0]=4 9020 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [0,2,0,0,0,0|2,0,0]=4 9021 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215052 [0,2,0,0,0,0|2,0,0]=4 9022 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000227908_100000211926 [0,2,0,0,0,0|2,0,0]=4 9023 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000210263_100000759014 [0,2,0,0,0,0|2,0,0]=4 9024 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000227908_100000211926 [0,2,0,0,0,0|2,0,0]=4 9025 B16R0.61 CCCCCCCCCCCCN(C)CCO 270004a_100000210263_100011218549 [0,2,0,0,0,0|2,0,0]=4 9026 B16R0.61 CCCCCCCCCCCCN(C)COC 2230a_100000227908_100000766300 [0,2,0,0,0,0|2,0,0]=4 9027 B16R0.61 CCCCCCCCCCCCN(C)COC 269982a_100000227908_100000766300 [0,2,0,0,0,0|2,0,0]=4 9028 B16R0.61 CCCCCCCCCCCNC(=O)C=CBr 1626a_200011215754_100016273825 [0,2,0,0,0,0|2,0,0]=4 9029 B16R0.61 CCCCCCCCCCCNC(=O)C=CBr 240690a_200011215754_100016273825 [0,2,0,0,0,0|2,0,0]=4 9030 B16R0.61 CCCCCCCCCCCNC(=O)C=CCl 11a_200011215754_200016279998 [0,2,0,0,0,0|2,0,0]=4 9031 B16R0.61 CCCCCCCCCCCNC(=O)C=CCl 1626a_200011215754_200016279998 [0,2,0,0,0,0|2,0,0]=4 9032 B16R0.61 CCCCCCCCCCCNC(=O)C=CCl 240690a_200011215754_200016279998 [0,2,0,0,0,0|2,0,0]=4 9033 B16R0.61 CCCCCCCCCCCNC(=O)C=CI 1626a_200011215754_100016256311 [0,2,0,0,0,0|2,0,0]=4 9034 B16R0.61 CCCCCCCCCCCNC(=O)CC#N 1626a_200011215754_100051588842 [0,2,0,0,0,0|2,0,0]=4 9035 B16R0.61 CCCCCCCCCCCNC(=O)CC#N 240690a_200011215754_100051588842 [0,2,0,0,0,0|2,0,0]=4 9036 B16R0.61 CCCCCCCCCCCNC(=O)CCC 11a_200011215754_100000211992 [0,2,0,0,0,0|2,0,0]=4 9037 B16R0.61 CCCCCCCCCCCNC(=O)CCC 1626a_200011215754_100000211992 [0,2,0,0,0,0|2,0,0]=4 9038 B16R0.61 CCCCCCCCCCCNC(=O)CCC 240690a_200011215754_100000211992 [0,2,0,0,0,0|2,0,0]=4 9039 B16R0.61 CCCCCCCCCCCNC(=O)CCC 527a_200011215754_100000211992 [0,2,0,0,0,0|2,0,0]=4 9040 B16R0.61 CCCCCCCCCCCNC(=O)CCO 240690a_200011215754_100011216618 [0,2,0,0,0,0|1,0,0]=3 9041 B16R0.61 CCCCCCCCCCCNC(=O)COC 11a_200011215754_100000210968 [0,2,0,0,0,0|1,0,0]=3 9042 B16R0.61 CCCCCCCCCCCNC(=O)COC 1626a_200011215754_100000210968 [0,2,0,0,0,0|1,0,0]=3 9043 B16R0.61 CCCCCCCCCCCNC(=O)COC 240690a_200011215754_100000210968 [0,2,0,0,0,0|1,0,0]=3 9044 B16R0.61 CCCCCCCCCCCNC(=O)COC 527a_200011215754_100000210968 [0,2,0,0,0,0|1,0,0]=3 9045 B16R0.61 CCCCCCCCCCCNC(=O)CSC 11a_200011215754_100000184570 [0,2,0,0,0,0|1,1,0]=4 9046 B16R0.61 CCCCCCCCCCCNC(=O)CSC 1626a_200011215754_100000184570 [0,2,0,0,0,0|1,1,0]=4 9047 B16R0.61 CCCCCCCCCCCNC(=O)CSC 240690a_200011215754_100000184570 [0,2,0,0,0,0|1,1,0]=4 9048 B16R0.61 CCCCCCCCCCCNC(=O)CSC 527a_200011215754_100000184570 [0,2,0,0,0,0|1,1,0]=4 9049 B16R0.61 CCCCCCCCCCCNC(=O)NCC 2708a_100015525214_200011215754 [0,2,0,0,0,0|2,0,0]=4 9050 B16R0.61 CCCCCCCCCCCNC(=O)NCC 2708a_200011215754_100015525214 [0,2,0,0,0,0|2,0,0]=4 9051 B16R0.61 CCCCCCCCCCCNC(=O)NCC 273464a_100015525214_200011215754 [0,2,0,0,0,0|2,0,0]=4 9052 B16R0.61 CCCCCCCCCCCNC(=O)NCC 273464a_200011215754_100015525214 [0,2,0,0,0,0|2,0,0]=4 9053 B16R0.61 CCCCCCCCCCCNC(=O)NCC 512a_100015525214_200011215754 [0,2,0,0,0,0|2,0,0]=4 9054 B16R0.61 CCCCCCCCCCCNC(=O)NCC 512a_200011215754_100015525214 [0,2,0,0,0,0|2,0,0]=4 9055 B16R0.61 CCCCCCCCCCCNC(=O)NNC 273464a_200011215754_100016993582 [0,2,0,0,0,0|2,0,0]=4 9056 B16R0.61 CCCCCCCCCCCNC(=O)NNC 512a_100016993582_200011215754 [0,2,0,0,0,0|2,0,0]=4 9057 B16R0.61 CCCCCCCCCCCNC(=O)NNC 512a_200011215754_100016993582 [0,2,0,0,0,0|2,0,0]=4 9058 B16R0.61 CCCCCCCCCCNCC(=O)CCC 2230a_100000684558_100000747444 [0,2,0,0,0,0|2,0,0]=4 9059 B16R0.61 CCCCCCCCCCNCC(=O)NCC 2230a_100000684558_100000183381 [0,2,0,0,0,0|2,0,0]=4 9060 B16R0.61 CCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210320 [0,2,0,0,0,0|2,0,0]=4 9061 B16R0.61 CCCCCCCCCCNCC(=O)NCC 34a_100000684558_100000183381 [0,2,0,0,0,0|2,0,0]=4 9062 B16R0.61 CCCCCCCCCCNCC(=O)NCO 2230a_100000684558_100000185155 [0,2,0,0,0,0|1,0,0]=3 9063 B16R0.61 CCCCCCCCCCNCC(=O)NCO 34a_100000684558_100000185155 [0,2,0,0,0,0|1,0,0]=3 9064 B16R0.61 CCCCCCCCCCNCC(=O)OCC 2230a_100000684558_100000188475 [0,2,0,0,0,0|1,0,0]=3 9065 B16R0.61 CCCCCCCCCCNCC(=O)OCC 34a_100000684558_100000188475 [0,2,0,0,0,0|1,0,0]=3 9066 B16R0.61 CCCCCCCCCCOCC(=O)CCC 7a_100000210711_100000747444 [0,2,0,0,0,0|2,0,0]=4 9067 B16R0.61 CCCCCCCCCCOCC(=O)NCC 34a_100000210711_100000183381 [0,2,0,0,0,0|2,0,0]=4 9068 B16R0.61 CCCCCCCCCCOCC(=O)NCC 7a_100000210711_100000183381 [0,2,0,0,0,0|2,0,0]=4 9069 B16R0.61 CCCCCCCCCCOCC(=O)NCO 34a_100000210711_100000185155 [0,2,0,0,0,0|1,0,0]=3 9070 B16R0.61 CCCCCCCCCCOCC(=O)NCO 7a_100000210711_100000185155 [0,2,0,0,0,0|1,0,0]=3 9071 B16R0.61 CCCCCCCCCCOCC(=O)OCC 34a_100000210711_100000188475 [0,2,0,0,0,0|1,0,0]=3 9072 B16R0.61 CCCCCCCCCCOCC(=O)OCC 7a_100000210711_100000188475 [0,2,0,0,0,0|1,0,0]=3 9073 B16R0.61 CCCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210320 [0,2,0,0,0,0|2,0,0]=4 9074 B16R0.61 CCCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210320 [0,2,0,0,0,0|1,0,0]=3 9075 B16R0.61 CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210320 [0,2,0,0,0,0|1,0,0]=3 9076 B16R0.61 CCCCCCCCCNCCC(=O)NCC 2230a_100000212291_100000737597 [0,2,0,0,0,0|2,0,0]=4 9077 B16R0.61 CCCCCCCCCNCCC(=O)NCC 34a_100025743525_100011214924 [0,2,0,0,0,0|2,0,0]=4 9078 B16R0.61 CCCCCCCCCNCCC(=O)OCC 2230a_100000212291_100011206558 [0,2,0,0,0,0|1,0,0]=3 9079 B16R0.61 CCCCCCCCCNCCC(=O)OCC 34a_100000212291_100000765890 [0,2,0,0,0,0|1,0,0]=3 9080 B16R0.61 CCCCCCCCCOCCC(=O)NCC 7a_100000210712_100000737597 [0,2,0,0,0,0|2,0,0]=4 9081 B16R0.61 CCCCCCCCCOCCC(=O)OCC 34a_100000210712_100000765890 [0,2,0,0,0,0|1,0,0]=3 9082 B16R0.61 CCCCCCCCCOCCC(=O)OCC 7a_100000210712_100011206558 [0,2,0,0,0,0|1,0,0]=3 9083 B16R0.61 CCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210670 [0,2,0,0,0,0|2,0,0]=4 9084 B16R0.61 CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210670 [0,2,0,0,0,0|1,0,0]=3 9085 B16R0.61 CCCCCCCCNCCCC(=O)OCC 2230a_100000229939_100009991533 [0,2,0,0,0,0|1,0,0]=3 9086 B16R0.61 CCCCCCCCNCCCC(=O)OCC 34a_100000229939_100009991533 [0,2,0,0,0,0|1,0,0]=3 9087 B16R0.61 CCCCCCCCOCCCC(=O)OCC 34a_100000210232_100009991533 [0,2,0,0,0,0|1,0,0]=3 9088 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100000210232_100011215271 [0,2,0,0,0,0|1,0,0]=3 9089 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210759 [0,2,0,0,0,0|1,0,0]=3 9090 B16R0.61 CCCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210759 [0,2,0,0,0,0|2,0,0]=4 9091 B16R0.61 CCCCCCCCOCCNC(=O)OCC 7a_100000210232_200011445536 [0,2,0,0,0,0|2,0,0]=4 9092 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100000210759_100009991533 [0,2,0,0,0,0|1,0,0]=3 9093 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210317 [0,2,0,0,0,0|1,0,0]=3 9094 B16R0.61 CCCCCCCCSCCNC(=O)OCC 62a_100000210759_200011445536 [0,2,0,0,0,0|2,0,0]=4 9095 B16R0.61 CCCCCCCNCCCCC(=O)OCC 2230a_100000229938_100000750268 [0,2,0,0,0,0|1,0,0]=3 9096 B16R0.61 CCCCCCCNCCOCC(=O)OCC 2230a_100000229938_100000088970 [0,2,0,0,0,0|2,0,0]=4 9097 B16R0.61 CCCCCCCOCCCCC(=O)OCC 34a_100000210272_100000750268 [0,2,0,0,0,0|1,0,0]=3 9098 B16R0.61 CCCCCCCOCCCCC(=O)OCC 7a_100000210272_100000750268 [0,2,0,0,0,0|1,0,0]=3 9099 B16R0.61 CCCCCCCOCCOCC(=O)OCC 34a_100000210272_100000088970 [0,2,0,0,0,0|2,0,0]=4 9100 B16R0.61 CCCCCCCOCCOCC(=O)OCC 7a_100000210272_100000088970 [0,2,0,0,0,0|2,0,0]=4 9101 B16R0.61 CCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210614 [0,2,0,0,0,0|2,0,0]=4 9102 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000210614_100000750268 [0,2,0,0,0,0|1,0,0]=3 9103 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210316 [0,2,0,0,0,0|1,0,0]=3 9104 B16R0.61 CCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210316 [0,2,0,0,0,0|2,0,0]=4 9105 B16R0.61 CCCCCCCSCCOCC(=O)OCC 62a_100000210614_100000088970 [0,2,0,0,0,0|2,0,0]=4 9106 B16R0.61 CCCCCCNCCCCCC(=O)OCC 2230a_100000210581_100000755133 [0,2,0,0,0,0|1,0,0]=3 9107 B16R0.61 CCCCCCNCCCOCC(=O)OCC 2230a_100000210581_100009893628 [0,2,0,0,0,0|2,0,0]=4 9108 B16R0.61 CCCCCCOCCCCCC(=O)OCC 34a_100000210259_100000755133 [0,2,0,0,0,0|1,0,0]=3 9109 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100000210259_100000755133 [0,2,0,0,0,0|1,0,0]=3 9110 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210314 [0,2,0,0,0,0|1,0,0]=3 9111 B16R0.61 CCCCCCOCCCOCC(=O)OCC 34a_100000210259_100009893628 [0,2,0,0,0,0|2,0,0]=4 9112 B16R0.61 CCCCCCOCCCOCC(=O)OCC 7a_100000210259_100009893628 [0,2,0,0,0,0|2,0,0]=4 9113 B16R0.61 CCCCCCOCCOCCC(=O)OCC 34a_100000691444_100000765890 [0,2,0,0,0,0|2,0,0]=4 9114 B16R0.61 CCCCCCOCCOCCC(=O)OCC 7a_100000691444_100011206558 [0,2,0,0,0,0|2,0,0]=4 9115 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000210314_100000755133 [0,2,0,0,0,0|1,0,0]=3 9116 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210757 [0,2,0,0,0,0|1,0,0]=3 9117 B16R0.61 CCCCCCSCCCOCC(=O)OCC 62a_100000210314_100009893628 [0,2,0,0,0,0|2,0,0]=4 9118 B16R0.61 CCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210757 [0,2,0,0,0,0|2,0,0]=4 9119 B16R0.61 CCCCCNCCCCCCC(=O)OCC 2230a_100000209983_100009814379 [0,2,0,0,0,0|1,0,0]=3 9120 B16R0.61 CCCCCNCCOCCCC(=O)OCC 34a_100000224656_100009991533 [0,2,0,0,0,0|2,0,0]=4 9121 B16R0.61 CCCCCOCCCCCCC(=O)OCC 34a_100000210253_100009814379 [0,2,0,0,0,0|1,0,0]=3 9122 B16R0.61 CCCCCOCCCCCCC(=O)OCC 7a_100000210253_100009814379 [0,2,0,0,0,0|1,0,0]=3 9123 B16R0.61 CCCCCOCCOCCCC(=O)OCC 34a_100011215259_100009991533 [0,2,0,0,0,0|2,0,0]=4 9124 B16R0.61 CCCCCOCCOCCCC(=O)OCC 7a_100011215259_100011215271 [0,2,0,0,0,0|2,0,0]=4 9125 B16R0.61 CCCCCSCCCCCCC(=O)OCC 62a_100000210326_100009814379 [0,2,0,0,0,0|1,0,0]=3 9126 B16R0.61 CCCCNCCCCCCCC(=O)OCC 2230a_100000102301_100009991516 [0,2,0,0,0,0|1,0,0]=3 9127 B16R0.61 CCCCNCCCCCCCC(=O)OCC 7a_106832991798_100009991516 [0,2,0,0,0,0|1,0,0]=3 9128 B16R0.61 CCCCNCCCCOCCC(=O)OCC 34a_200011216965_100000765890 [0,2,0,0,0,0|2,0,0]=4 9129 B16R0.61 CCCCOCCCCCCCC(=O)OCC 34a_100000210227_100009991516 [0,2,0,0,0,0|1,0,0]=3 9130 B16R0.61 CCCCOCCCCCCCC(=O)OCC 7a_100000210227_100009991516 [0,2,0,0,0,0|1,0,0]=3 9131 B16R0.61 CCCCOCCCCOCCC(=O)OCC 34a_200000760531_100000765890 [0,2,0,0,0,0|2,0,0]=4 9132 B16R0.61 CCCCOCCCCOCCC(=O)OCC 7a_200000760531_100011206558 [0,2,0,0,0,0|2,0,0]=4 9133 B16R0.61 CCCCOCCCNCCCC(=O)OCC 2230a_200000211371_100009991533 [0,2,0,0,0,0|2,0,0]=4 9134 B16R0.61 CCCCOCCCNCCCC(=O)OCC 34a_200000211371_100009991533 [0,2,0,0,0,0|2,0,0]=4 9135 B16R0.61 CCCCOCCCOCCCC(=O)OCC 34a_200011215613_100009991533 [0,2,0,0,0,0|2,0,0]=4 9136 B16R0.61 CCCCOCCCOCCCC(=O)OCC 7a_200011215613_100011215271 [0,2,0,0,0,0|2,0,0]=4 9137 B16R0.61 CCCCOCCOCCCCC(=O)OCC 34a_100000210238_100000750268 [0,2,0,0,0,0|2,0,0]=4 9138 B16R0.61 CCCCOCCOCCCCC(=O)OCC 7a_100000210238_100000750268 [0,2,0,0,0,0|2,0,0]=4 9139 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000743108_100000750268 [0,2,0,0,0,0|2,0,0]=4 9140 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000750268_100000743108 [0,2,0,0,0,0|2,0,0]=4 9141 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100000755133_100011995733 [0,2,0,0,0,0|2,0,0]=4 9142 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100011995733_100000755133 [0,2,0,0,0,0|2,0,0]=4 9143 B16R0.61 CCCCSCCCCCCCC(=O)OCC 62a_100000210211_100009991516 [0,2,0,0,0,0|1,0,0]=3 9144 B16R0.61 CCCCSCCNCCCCC(=O)OCC 2230a_100025743550_100000750268 [0,2,0,0,0,0|2,0,0]=4 9145 B16R0.61 CCCCSCCOCCCCC(=O)OCC 34a_200000230436_100000750268 [0,2,0,0,0,0|2,0,0]=4 9146 B16R0.61 CCCCSCCOCCCCC(=O)OCC 7a_200000230436_100000750268 [0,2,0,0,0,0|2,0,0]=4 9147 B16R0.61 CCCOCCCCCCCCC(=O)OCC 34a_100000210258_100010175975 [0,2,0,0,0,0|1,0,0]=3 9148 B16R0.61 CCCOCCCNCCCCC(=O)OCC 2230a_100011217757_100000750268 [0,2,0,0,0,0|2,0,0]=4 9149 B16R0.61 CCCOCCCNCCCCC(=O)OCC 34a_100011217757_100000750268 [0,2,0,0,0,0|2,0,0]=4 9150 B16R0.61 CCCOCCNCCCCCC(=O)OCC 2230a_100161115042_100000755133 [0,2,0,0,0,0|2,0,0]=4 9151 B16R0.61 CCCOCCNCCCCCC(=O)OCC 34a_100161115042_100000755133 [0,2,0,0,0,0|2,0,0]=4 9152 B16R0.61 CCCOCCOCCCCCC(=O)OCC 34a_100000752267_100000755133 [0,2,0,0,0,0|2,0,0]=4 9153 B16R0.61 CCCOCCOCCCCCC(=O)OCC 7a_100000752267_100000755133 [0,2,0,0,0,0|2,0,0]=4 9154 B16R0.61 CCCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215938 [0,2,0,0,0,0|2,0,0]=4 9155 B16R0.61 CCCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215938 [0,2,0,0,0,0|2,0,0]=4 9156 B16R0.61 CCCOCCSCCCCCC(=O)OCC 62a_100011215938_100000755133 [0,2,0,0,0,0|2,0,0]=4 9157 B16R0.61 CCCSCCCCCCCCC(=O)OCC 62a_100000210303_100010175975 [0,2,0,0,0,0|1,0,0]=3 9158 B16R0.61 CCCSCCNCCCCCC(=O)OCC 2230a_100020603323_100000755133 [0,2,0,0,0,0|2,0,0]=4 9159 B16R0.61 CCCSCCOCCCCCC(=O)OCC 34a_200000230433_100000755133 [0,2,0,0,0,0|2,0,0]=4 9160 B16R0.61 CCCSCCOCCCCCC(=O)OCC 7a_200000230433_100000755133 [0,2,0,0,0,0|2,0,0]=4 9161 B16R0.61 CCNC(=O)CCCCCCCCCCCO 240690a_100015525214_100000037981 [0,2,0,0,0,0|2,0,0]=4 9162 B16R0.61 CCNCCCCCCCCCC(=O)OCC 2230a_100015525214_100009828014 [0,2,0,0,0,0|1,0,0]=3 9163 B16R0.61 CCOC(=O)CCCCCCCCCCNC 2230a_106832991635_100009827693 [0,2,0,0,0,0|1,0,0]=3 9164 B16R0.61 CCOC(=O)CCCCCCCCCCNC 34a_100102657272_100009827693 [0,2,0,0,0,0|1,0,0]=3 9165 B16R0.61 CCOC(=O)CCCCCCCCCCNC 7a_106832991635_100009827693 [0,2,0,0,0,0|1,0,0]=3 9166 B16R0.61 CCOC(=O)CCCCCCCCCCOC 34a_100138415774_100009827693 [0,2,0,0,0,0|1,0,0]=3 9167 B16R0.61 CCOC(=O)CCCCCCCCCCSC 62a_200000210301_100009827693 [0,2,0,0,0,0|1,0,0]=3 9168 B16R0.61 CCOC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009827693 [0,2,0,0,0,0|1,0,0]=3 9169 B16R0.61 CCOC(=O)CCCCCCCCCSCC 62a_100000210202_100009828014 [0,2,0,0,0,0|1,0,0]=3 9170 B16R0.61 CCOC(=O)CCCCCCCCCSCF 62a_100015361967_100009828014 [0,2,0,0,0,0|2,0,0]=4 9171 B16R0.61 CCOC(=O)CCCCCCCCNCCF 34a_100000724931_100010175975 [0,2,0,0,0,0|2,0,0]=4 9172 B16R0.61 CCOC(=O)CCCCCCCCNCCO 2230a_100016997473_100010175975 [0,2,0,0,0,0|2,0,0]=4 9173 B16R0.61 CCOC(=O)CCCCCCCCNCCO 34a_100016990907_100010175975 [0,2,0,0,0,0|2,0,0]=4 9174 B16R0.61 CCOC(=O)CCCCCCCCOCCBr 34a_100000211926_100010175975 [0,2,0,0,0,0|2,0,0]=4 9175 B16R0.61 CCOC(=O)CCCCCCCCOCCN 34a_100000210304_100010175975 [0,2,0,0,0,0|2,0,0]=4 9176 B16R0.61 CCOC(=O)CCCCCCCCSCCF 62a_100011217306_100010175975 [0,2,0,0,0,0|2,0,0]=4 9177 B16R0.61 CCOC(=O)CCCCCCCCSCCO 62a_100000211926_100010175975 [0,2,0,0,0,0|2,0,0]=4 9178 B16R0.61 CCOC(=O)CCCCCCCCSCOC 62a_100000766300_100010175975 [0,2,0,0,0,0|2,0,0]=4 9179 B16R0.61 CCOC(=O)CCCCCCCCSCSC 62a_100011218213_100010175975 [0,2,0,0,0,0|2,0,0]=4 9180 B16R0.61 CCOC(=O)CCCCCCCNCCCF 2230a_100015189416_100009991516 [0,2,0,0,0,0|2,0,0]=4 9181 B16R0.61 CCOC(=O)CCCCCCCNCCCF 34a_100015189416_100009991516 [0,2,0,0,0,0|2,0,0]=4 9182 B16R0.61 CCOC(=O)CCCCCCCNCCOC 2230a_100000209980_100009991516 [0,2,0,0,0,0|2,0,0]=4 9183 B16R0.61 CCOC(=O)CCCCCCCNCCSC 2230a_100020590264_100009991516 [0,2,0,0,0,0|2,0,0]=4 9184 B16R0.61 CCOC(=O)CCCCCCCOCCCBr 34a_100011217188_100009991516 [0,2,0,0,0,0|2,0,0]=4 9185 B16R0.61 CCOC(=O)CCCCCCCOCCCCl 34a_100000230001_100009991516 [0,2,0,0,0,0|2,0,0]=4 9186 B16R0.61 CCOC(=O)CCCCCCCOCCCF 34a_100000759539_100009991516 [0,2,0,0,0,0|2,0,0]=4 9187 B16R0.61 CCOC(=O)CCCCCCCOCCCN 34a_100000182051_100009991516 [0,2,0,0,0,0|2,0,0]=4 9188 B16R0.61 CCOC(=O)CCCCCCCOCCOC 34a_100000210237_100009991516 [0,2,0,0,0,0|2,0,0]=4 9189 B16R0.61 CCOC(=O)CCCCCCCOCCSC 34a_100000230434_100009991516 [0,2,0,0,0,0|2,0,0]=4 9190 B16R0.61 CCOC(=O)CCCCCCCOCCSC 7a_100000230434_100009991516 [0,2,0,0,0,0|2,0,0]=4 9191 B16R0.61 CCOC(=O)CCCCCCCSCCCF 62a_100011934791_100009991516 [0,2,0,0,0,0|2,0,0]=4 9192 B16R0.61 CCOC(=O)CCCCCCCSCCCO 62a_100011215043_100009991516 [0,2,0,0,0,0|2,0,0]=4 9193 B16R0.61 CCOC(=O)CCCCCCCSCCOC 62a_100000233755_100009991516 [0,2,0,0,0,0|2,0,0]=4 9194 B16R0.61 CCOC(=O)CCCCCCCSCCSC 62a_100000212216_100009991516 [0,2,0,0,0,0|2,0,0]=4 9195 B16R0.61 CCOC(=O)CCCCCCNCCCCO 2230a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 9196 B16R0.61 CCOC(=O)CCCCCCNCCCCO 34a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 9197 B16R0.61 CCOC(=O)CCCCCCNCCCOC 34a_100150723488_100009814379 [0,2,0,0,0,0|2,0,0]=4 9198 B16R0.61 CCOC(=O)CCCCCCNCCCSC 2230a_100000749238_100009814379 [0,2,0,0,0,0|2,0,0]=4 9199 B16R0.61 CCOC(=O)CCCCCCNCCSCC 2230a_100000106463_100009814379 [0,2,0,0,0,0|2,0,0]=4 9200 B16R0.61 CCOC(=O)CCCCCCOCCCCBr 34a_100011216708_100009814379 [0,2,0,0,0,0|2,0,0]=4 9201 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 34a_100000210776_100009814379 [0,2,0,0,0,0|2,0,0]=4 9202 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 7a_100000210776_100009814379 [0,2,0,0,0,0|2,0,0]=4 9203 B16R0.61 CCOC(=O)CCCCCCOCCCCF 34a_100011995726_100009814379 [0,2,0,0,0,0|2,0,0]=4 9204 B16R0.61 CCOC(=O)CCCCCCOCCCCF 7a_100011995726_100009814379 [0,2,0,0,0,0|2,0,0]=4 9205 B16R0.61 CCOC(=O)CCCCCCOCCCCI 34a_200012148704_100009814379 [0,2,0,0,0,0|2,0,0]=4 9206 B16R0.61 CCOC(=O)CCCCCCOCCCCN 34a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 9207 B16R0.61 CCOC(=O)CCCCCCOCCCNC 34a_100000213112_100009814379 [0,2,0,0,0,0|2,0,0]=4 9208 B16R0.61 CCOC(=O)CCCCCCOCCCOC 34a_100000740835_100009814379 [0,2,0,0,0,0|2,0,0]=4 9209 B16R0.61 CCOC(=O)CCCCCCOCCCSC 34a_100000690336_100009814379 [0,2,0,0,0,0|2,0,0]=4 9210 B16R0.61 CCOC(=O)CCCCCCOCCCSC 7a_100000690336_100009814379 [0,2,0,0,0,0|2,0,0]=4 9211 B16R0.61 CCOC(=O)CCCCCCOCCSCC 34a_100000212035_100009814379 [0,2,0,0,0,0|2,0,0]=4 9212 B16R0.61 CCOC(=O)CCCCCCOCCSCC 7a_100000212035_100009814379 [0,2,0,0,0,0|2,0,0]=4 9213 B16R0.61 CCOC(=O)CCCCCCSCCCCF 62a_100000729493_100009814379 [0,2,0,0,0,0|2,0,0]=4 9214 B16R0.61 CCOC(=O)CCCCCCSCCCCO 62a_100000210776_100009814379 [0,2,0,0,0,0|2,0,0]=4 9215 B16R0.61 CCOC(=O)CCCCCCSCCCOC 62a_100000709357_100009814379 [0,2,0,0,0,0|2,0,0]=4 9216 B16R0.61 CCOC(=O)CCCCCCSCCSCC 62a_100000757381_100009814379 [0,2,0,0,0,0|2,0,0]=4 9217 B16R0.61 CCOC(=O)CCCCCNCCCCCO 2230a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 9218 B16R0.61 CCOC(=O)CCCCCNCCCCCO 34a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 9219 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 34a_100000746331_100000755133 [0,2,0,0,0,0|2,0,0]=4 9220 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 7a_100000746331_100000755133 [0,2,0,0,0,0|2,0,0]=4 9221 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 34a_100000746330_100000755133 [0,2,0,0,0,0|2,0,0]=4 9222 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 7a_100000746330_100000755133 [0,2,0,0,0,0|2,0,0]=4 9223 B16R0.61 CCOC(=O)CCCCCOCCCCCF 7a_100011214988_100000729378 [0,2,0,0,0,0|2,0,0]=4 9224 B16R0.61 CCOC(=O)CCCCCOCCCCCI 34a_200012148887_100000755133 [0,2,0,0,0,0|2,0,0]=4 9225 B16R0.61 CCOC(=O)CCCCCOCCCCCI 7a_200012148887_100000755133 [0,2,0,0,0,0|2,0,0]=4 9226 B16R0.61 CCOC(=O)CCCCCOCCCCCN 34a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 9227 B16R0.61 CCOC(=O)CCCCCOCCCCCO 7a_100011214988_100000746330 [0,2,0,0,0,0|2,0,0]=4 9228 B16R0.61 CCOC(=O)CCCCCOCCCCOC 34a_100000740925_100000755133 [0,2,0,0,0,0|2,0,0]=4 9229 B16R0.61 CCOC(=O)CCCCCOCCCCOC 7a_100011214988_100000730899 [0,2,0,0,0,0|2,0,0]=4 9230 B16R0.61 CCOC(=O)CCCCCOCCCCSC 34a_100011217163_100000755133 [0,2,0,0,0,0|2,0,0]=4 9231 B16R0.61 CCOC(=O)CCCCCOCCCCSC 7a_100011217163_100000755133 [0,2,0,0,0,0|2,0,0]=4 9232 B16R0.61 CCOC(=O)CCCCCOCCCSCC 34a_100011216438_100000755133 [0,2,0,0,0,0|2,0,0]=4 9233 B16R0.61 CCOC(=O)CCCCCOCCCSCC 7a_100011216438_100000755133 [0,2,0,0,0,0|2,0,0]=4 9234 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000729378_100000755133 [0,2,0,0,0,0|2,0,0]=4 9235 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000755133_100000729378 [0,2,0,0,0,0|2,0,0]=4 9236 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000746330_100000755133 [0,2,0,0,0,0|2,0,0]=4 9237 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000755133_100000746330 [0,2,0,0,0,0|2,0,0]=4 9238 B16R0.61 CCOC(=O)CCCCCSCCCCOC 62a_100000730899_100000755133 [0,2,0,0,0,0|2,0,0]=4 9239 B16R0.61 CCOC(=O)CCCCCSCCCCOC 62a_100000755133_100000730899 [0,2,0,0,0,0|2,0,0]=4 9240 B16R0.61 CCOC(=O)CCCCNCCCCCCO 2230a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 9241 B16R0.61 CCOC(=O)CCCCNCCCCCCO 34a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 9242 B16R0.61 CCOC(=O)CCCCNCCCCCOC 2230a_100000747528_100000750268 [0,2,0,0,0,0|2,0,0]=4 9243 B16R0.61 CCOC(=O)CCCCNCCCCCOC 34a_100000747528_100000750268 [0,2,0,0,0,0|2,0,0]=4 9244 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 34a_100011215345_100000750268 [0,2,0,0,0,0|2,0,0]=4 9245 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 7a_100011215345_100000750268 [0,2,0,0,0,0|2,0,0]=4 9246 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 34a_100000766143_100000750268 [0,2,0,0,0,0|2,0,0]=4 9247 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 7a_100000766143_100000750268 [0,2,0,0,0,0|2,0,0]=4 9248 B16R0.61 CCOC(=O)CCCCOCCCCCCF 34a_100000732779_100000750268 [0,2,0,0,0,0|2,0,0]=4 9249 B16R0.61 CCOC(=O)CCCCOCCCCCCF 7a_100000732779_100000750268 [0,2,0,0,0,0|2,0,0]=4 9250 B16R0.61 CCOC(=O)CCCCOCCCCCCN 34a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 9251 B16R0.61 CCOC(=O)CCCCOCCCCCNC 34a_100000722520_100000750268 [0,2,0,0,0,0|2,0,0]=4 9252 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100000750268_100015922095 [0,2,0,0,0,0|2,0,0]=4 9253 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100015922095_100000750268 [0,2,0,0,0,0|2,0,0]=4 9254 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000750268_100000766143 [0,2,0,0,0,0|2,0,0]=4 9255 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000766143_100000750268 [0,2,0,0,0,0|2,0,0]=4 9256 B16R0.61 CCOC(=O)CCCNCCCCCCCO 2230a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 9257 B16R0.61 CCOC(=O)CCCNCCCCCCCO 34a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 9258 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 34a_100000760002_100009991533 [0,2,0,0,0,0|2,0,0]=4 9259 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215271 [0,2,0,0,0,0|2,0,0]=4 9260 B16R0.61 CCOC(=O)CCCOCCCCCCCN 34a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 9261 B16R0.61 CCOC(=O)CCCOCCCCCCCO 7a_100012001163_100000760002 [0,2,0,0,0,0|2,0,0]=4 9262 B16R0.61 CCOC(=O)CCCOCCCCCCOC 34a_200012092642_100009991533 [0,2,0,0,0,0|2,0,0]=4 9263 B16R0.61 CCOC(=O)CCCOCCCCCCOC 7a_100012001163_100011998445 [0,2,0,0,0,0|2,0,0]=4 9264 B16R0.61 CCOC(=O)CCCOCCCCCCOC 7a_200012092642_100011215271 [0,2,0,0,0,0|2,0,0]=4 9265 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100000760002_100009991533 [0,2,0,0,0,0|2,0,0]=4 9266 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100009991533_100000760002 [0,2,0,0,0,0|2,0,0]=4 9267 B16R0.61 CCOC(=O)CCCSCCCCCCOC 62a_100009991533_100011998445 [0,2,0,0,0,0|2,0,0]=4 9268 B16R0.61 CCOC(=O)CCCSCCCCCCOC 62a_100011998445_100009991533 [0,2,0,0,0,0|2,0,0]=4 9269 B16R0.61 CCOC(=O)CCNCCCCCCCCO 2230a_102515433106_100011206558 [0,2,0,0,0,0|2,0,0]=4 9270 B16R0.61 CCOC(=O)CCNCCCCCCCCO 34a_102515433106_100000765890 [0,2,0,0,0,0|2,0,0]=4 9271 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 34a_100009813846_100000765890 [0,2,0,0,0,0|2,0,0]=4 9272 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 7a_100009813846_100011206558 [0,2,0,0,0,0|2,0,0]=4 9273 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 34a_100000033203_100000765890 [0,2,0,0,0,0|2,0,0]=4 9274 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 7a_100000033203_100011206558 [0,2,0,0,0,0|2,0,0]=4 9275 B16R0.61 CCOC(=O)CCOCCCCCCCCN 34a_102515433106_100000765890 [0,2,0,0,0,0|2,0,0]=4 9276 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000033203_100000765890 [0,2,0,0,0,0|2,0,0]=4 9277 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000765890_100000033203 [0,2,0,0,0,0|2,0,0]=4 9278 B16R0.61 CCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 9279 B16R0.61 CCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 9280 B16R0.61 CCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000188475 [0,2,0,0,0,0|2,0,0]=4 9281 B16R0.61 CCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000188475 [0,2,0,0,0,0|2,0,0]=4 9282 B16R0.61 CCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000188475 [0,2,0,0,0,0|2,0,0]=4 9283 B16R0.61 CCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000188475 [0,2,0,0,0,0|2,0,0]=4 9284 B16R0.61 CCOC(=O)COCCCCCCCCCN 34a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 9285 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100000188475_100009813782 [0,2,0,0,0,0|2,0,0]=4 9286 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000188475 [0,2,0,0,0,0|2,0,0]=4 9287 B16R0.61 CCOCCCCCCCCCC(=O)OCC 34a_100121572206_100009828014 [0,2,0,0,0,0|1,0,0]=3 9288 B16R0.61 CCOCCCNCCCCCC(=O)OCC 2230a_100000210961_100000755133 [0,2,0,0,0,0|2,0,0]=4 9289 B16R0.61 CCOCCCNCCCCCC(=O)OCC 34a_100000210961_100000755133 [0,2,0,0,0,0|2,0,0]=4 9290 B16R0.61 CCOCCCOCCCCCC(=O)OCC 34a_100000757476_100000755133 [0,2,0,0,0,0|2,0,0]=4 9291 B16R0.61 CCOCCCOCCCCCC(=O)OCC 7a_100000757476_100000755133 [0,2,0,0,0,0|2,0,0]=4 9292 B16R0.61 CCOCCCOCCCCCC(=O)OCC 7a_100011214988_100012232248 [0,2,0,0,0,0|2,0,0]=4 9293 B16R0.61 CCOCCCSCCCCCC(=O)OCC 62a_100000755133_100012232248 [0,2,0,0,0,0|2,0,0]=4 9294 B16R0.61 CCOCCCSCCCCCC(=O)OCC 62a_100012232248_100000755133 [0,2,0,0,0,0|2,0,0]=4 9295 B16R0.61 CCOCCNCCCCCCC(=O)OCC 2230a_102516460346_100009814379 [0,2,0,0,0,0|2,0,0]=4 9296 B16R0.61 CCOCCNCCCCCCC(=O)OCC 34a_102516460346_100009814379 [0,2,0,0,0,0|2,0,0]=4 9297 B16R0.61 CCOCCOCCCCCCC(=O)OCC 34a_100000210136_100009814379 [0,2,0,0,0,0|2,0,0]=4 9298 B16R0.61 CCOCCOCCCCCCC(=O)OCC 7a_100000210136_100009814379 [0,2,0,0,0,0|2,0,0]=4 9299 B16R0.61 CCOCCSCCCCCCC(=O)OCC 62a_100000210147_100009814379 [0,2,0,0,0,0|2,0,0]=4 9300 B16R0.61 CCOCSCCCCCCCC(=O)OCC 62a_100000739092_100009991516 [0,2,0,0,0,0|2,0,0]=4 9301 B16R0.61 CNNC(=O)CCCCCCCCCCCO 22a_100016993582_100000037981 [0,2,0,0,0,0|2,0,0]=4 9302 B16R0.61 COCC(=O)CCCCCCCCCCCO 1458a_100000210968_100009812471 [0,2,0,0,0,0|1,0,0]=3 9303 B16R0.61 COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210968 [0,2,0,0,0,0|2,0,0]=4 9304 B16R0.61 CSCC(=O)CCCCCCCCCCCO 1458a_100000184570_100009812471 [0,2,0,0,0,0|1,1,0]=4 9305 B16R0.61 N#CCC(=O)CCCCCCCCCCCO 1458a_100051588842_100009812471 [0,2,0,0,0,0|2,0,0]=4 9306 B16R0.61 NCCCCCCCCCOCC(=O)NCO 34a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 9307 B16R0.61 O=C(C=CBr)CCCCCCCCCCCO 1458a_100016273825_100009812471 [0,2,0,0,0,0|2,0,0]=4 9308 B16R0.61 O=C(C=CCl)CCCCCCCCCCCO 1458a_200016279998_100009812471 [0,2,0,0,0,0|2,0,0]=4 9309 B16R0.61 O=C(C=CI)CCCCCCCCCCCO 1458a_100016256311_100009812471 [0,2,0,0,0,0|2,0,0]=4 9310 B16R0.61 O=C(CCO)CCCCCCCCCCCO 1458a_100011216618_100009812471 [0,2,0,0,0,0|1,0,0]=3 9311 B16R0.61 O=C(CCO)NCCCCCCCCCCO 240690a_100000066964_100011216618 [0,2,0,0,0,0|2,0,0]=4 9312 B16R0.61 O=C(CNCCCCCCCCCO)NCO 2230a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 9313 B16R0.61 O=C(CNCCCCCCCCCO)NCO 34a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 9314 B16R0.61 O=C(COCCCCCCCCCBr)NCO 34a_100009813782_100000185155 [0,2,0,0,0,0|2,0,0]=4 9315 B16R0.61 O=C(COCCCCCCCCCBr)NCO 7a_100009813782_100000185155 [0,2,0,0,0,0|2,0,0]=4 9316 B16R0.61 O=C(COCCCCCCCCCCl)NCO 34a_100009868337_100000185155 [0,2,0,0,0,0|2,0,0]=4 9317 B16R0.61 O=C(COCCCCCCCCCCl)NCO 7a_100009868337_100000185155 [0,2,0,0,0,0|2,0,0]=4 9318 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100000185155_100009813782 [0,2,0,0,0,0|2,0,0]=4 9319 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100009813782_100000185155 [0,2,0,0,0,0|2,0,0]=4 9320 B16R0.70 C=C(CNCCCCCCCCC)C(=O)OC 34a_100000212291_100009813391 [0,2,0,0,0,0|1,0,1]=4 9321 B16R0.70 C=C(COCCCCCCCCC)C(=O)OC 34a_100000210712_100009813391 [0,2,0,0,0,0|1,0,1]=4 9322 B16R0.70 C=C(CSCCCCCCCCC)C(=O)OC 62a_100009813391_100000210670 [0,2,0,0,0,0|1,0,1]=4 9323 B16R0.70 CCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100011215454 [0,2,0,0,0,0|1,0,1]=4 9324 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 11a_100000684558_100000024059 [0,2,0,0,0,0|1,0,1]=4 9325 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 1626a_100000684558_100000024059 [0,2,0,0,0,0|1,0,1]=4 9326 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 240690a_100000684558_100000024059 [0,2,0,0,0,0|1,0,1]=4 9327 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 527a_100000684558_100000024059 [0,2,0,0,0,0|1,0,1]=4 9328 B16R0.70 CCCCCCCCCCNC(C)C(=O)CC 2230a_100000684558_100000742827 [0,2,0,0,0,0|2,0,0]=4 9329 B16R0.70 CCCCCCCCCCNC(C)C(=O)NC 2230a_100000684558_100000731044 [0,2,0,0,0,0|2,0,0]=4 9330 B16R0.70 CCCCCCCCCCNC(C)C(=O)NC 34a_100000684558_100000731044 [0,2,0,0,0,0|2,0,0]=4 9331 B16R0.70 CCCCCCCCCCNC(C)C(=O)OC 2230a_100000684558_100000211248 [0,2,0,0,0,0|1,0,0]=3 9332 B16R0.70 CCCCCCCCCCNC(C)C(=O)OC 34a_100000684558_100000211248 [0,2,0,0,0,0|1,0,0]=3 9333 B16R0.70 CCCCCCCCCCNC(F)C(=O)NC 2230a_100000684558_100009813575 [0,2,0,0,0,0|2,0,0]=4 9334 B16R0.70 CCCCCCCCCCNC(F)C(=O)NC 34a_100000684558_100009813575 [0,2,0,0,0,0|2,0,0]=4 9335 B16R0.70 CCCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210320 [0,2,0,0,0,0|2,0,0]=4 9336 B16R0.70 CCCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210320 [0,2,0,0,0,0|2,0,0]=4 9337 B16R0.70 CCCCCCCCCCOC(C)C(=O)CC 7a_100000210711_100000742827 [0,2,0,0,0,0|2,0,0]=4 9338 B16R0.70 CCCCCCCCCCOC(C)C(=O)NC 34a_100000210711_100000731044 [0,2,0,0,0,0|2,0,0]=4 9339 B16R0.70 CCCCCCCCCCOC(C)C(=O)NC 7a_100000210711_100000209862 [0,2,0,0,0,0|2,0,0]=4 9340 B16R0.70 CCCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100000210320 [0,2,0,0,0,0|2,0,0]=4 9341 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 34a_100000210711_100000211248 [0,2,0,0,0,0|1,0,0]=3 9342 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210320 [0,2,0,0,0,0|1,0,0]=3 9343 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 7a_100000210711_100000211248 [0,2,0,0,0,0|1,0,0]=3 9344 B16R0.70 CCCCCCCCCCOC(F)C(=O)NC 34a_100000210711_100009813575 [0,2,0,0,0,0|2,0,0]=4 9345 B16R0.70 CCCCCCCCCCOC(F)C(=O)NC 7a_100000210711_100009813575 [0,2,0,0,0,0|2,0,0]=4 9346 B16R0.70 CCCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210320 [0,2,0,0,0,0|2,0,0]=4 9347 B16R0.70 CCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210320 [0,2,0,0,0,0|1,0,0]=3 9348 B16R0.70 CCCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210320 [0,2,0,0,0,0|2,0,0]=4 9349 B16R0.70 CCCCCCCCCNCC(=O)C(=O)OC 34a_100000212291_100011610305 [0,2,0,0,0,0|1,0,1]=4 9350 B16R0.70 CCCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100011214924 [0,2,0,0,0,0|2,0,0]=4 9351 B16R0.70 CCCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100011214924 [0,2,0,0,0,0|2,0,0]=4 9352 B16R0.70 CCCCCCCCCNCC(C)C(=O)OC 34a_100000212291_100000698445 [0,2,0,0,0,0|1,0,0]=3 9353 B16R0.70 CCCCCCCCCOCC(=O)C(=O)OC 34a_100000210712_100011610305 [0,2,0,0,0,0|1,0,1]=4 9354 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 34a_100000210712_100000698445 [0,2,0,0,0,0|1,0,0]=3 9355 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011214924 [0,2,0,0,0,0|1,0,0]=3 9356 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210328 [0,2,0,0,0,0|1,0,0]=3 9357 B16R0.70 CCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011214924 [0,2,0,0,0,0|1,0,0]=3 9358 B16R0.70 CCCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100011214924 [0,2,0,0,0,0|2,0,0]=4 9359 B16R0.70 CCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011214924 [0,2,0,0,0,0|1,0,0]=3 9360 B16R0.70 CCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210670 [0,2,0,0,0,0|1,0,1]=4 9361 B16R0.70 CCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210670 [0,2,0,0,0,0|1,0,0]=3 9362 B16R0.70 CCCCCCCCNCCC(C)C(=O)OC 2230a_100000229939_100000034942 [0,2,0,0,0,0|1,0,0]=3 9363 B16R0.70 CCCCCCCCNCCC(C)C(=O)OC 34a_100000229939_100000034942 [0,2,0,0,0,0|1,0,0]=3 9364 B16R0.70 CCCCCCCCOCCC(C)C(=O)OC 34a_100000210232_100000034942 [0,2,0,0,0,0|1,0,0]=3 9365 B16R0.70 CCCCCCCCOCCC(C)C(=O)OC 7a_100000210232_100000034942 [0,2,0,0,0,0|1,0,0]=3 9366 B16R0.70 CCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210317 [0,2,0,0,0,0|1,0,0]=3 9367 B16R0.70 CCCCCCCCSCCC(C)C(=O)OC 62a_100000210759_100000034942 [0,2,0,0,0,0|1,0,0]=3 9368 B16R0.70 CCCCCCOCCOCC(C)C(=O)OC 34a_100000691444_100000698445 [0,2,0,0,0,0|2,0,0]=4 9369 B16R0.70 CCCCCNCCOCCC(C)C(=O)OC 34a_100000224656_100000034942 [0,2,0,0,0,0|2,0,0]=4 9370 B16R0.70 CCCCCOCCOCCC(C)C(=O)OC 34a_100011215259_100000034942 [0,2,0,0,0,0|2,0,0]=4 9371 B16R0.70 CCCCCOCCOCCC(C)C(=O)OC 7a_100011215259_100000034942 [0,2,0,0,0,0|2,0,0]=4 9372 B16R0.70 CCCCNCCCCOCC(C)C(=O)OC 34a_200011216965_100000698445 [0,2,0,0,0,0|2,0,0]=4 9373 B16R0.70 CCCCOCCCCOCC(C)C(=O)OC 34a_200000760531_100000698445 [0,2,0,0,0,0|2,0,0]=4 9374 B16R0.70 CCCCOCCCNCCC(C)C(=O)OC 2230a_200000211371_100000034942 [0,2,0,0,0,0|2,0,0]=4 9375 B16R0.70 CCCCOCCCNCCC(C)C(=O)OC 34a_200000211371_100000034942 [0,2,0,0,0,0|2,0,0]=4 9376 B16R0.70 CCCCOCCCOCCC(C)C(=O)OC 34a_200011215613_100000034942 [0,2,0,0,0,0|2,0,0]=4 9377 B16R0.70 CCCCOCCCOCCC(C)C(=O)OC 7a_200011215613_100000034942 [0,2,0,0,0,0|2,0,0]=4 9378 B16R0.70 COC(=O)C(C)CCNCCCCCCCO 2230a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 9379 B16R0.70 COC(=O)C(C)CCNCCCCCCCO 34a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 9380 B16R0.70 COC(=O)C(C)CCOCCCCCCCBr 34a_100000760002_100000034942 [0,2,0,0,0,0|2,0,0]=4 9381 B16R0.70 COC(=O)C(C)CCOCCCCCCCBr 7a_100000760002_100000034942 [0,2,0,0,0,0|2,0,0]=4 9382 B16R0.70 COC(=O)C(C)CCOCCCCCCCN 34a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 9383 B16R0.70 COC(=O)C(C)CCSCCCCCCCO 62a_100000034942_100000760002 [0,2,0,0,0,0|2,0,0]=4 9384 B16R0.70 COC(=O)C(C)CCSCCCCCCCO 62a_100000760002_100000034942 [0,2,0,0,0,0|2,0,0]=4 9385 B16R0.70 COC(=O)C(C)CNCCCCCCCCO 34a_102515433106_100000698445 [0,2,0,0,0,0|2,0,0]=4 9386 B16R0.70 COC(=O)C(C)COCCCCCCCCBr 34a_100009813846_100000698445 [0,2,0,0,0,0|2,0,0]=4 9387 B16R0.70 COC(=O)C(C)COCCCCCCCCCl 34a_100000033203_100000698445 [0,2,0,0,0,0|2,0,0]=4 9388 B16R0.70 COC(=O)C(C)COCCCCCCCCN 34a_102515433106_100000698445 [0,2,0,0,0,0|2,0,0]=4 9389 B16R0.70 COC(=O)C(C)COCCCCCCCCO 34a_100000749362_100000033203 [0,2,0,0,0,0|2,0,0]=4 9390 B16R0.70 COC(=O)C(C)COCCCCCCCCO 7a_100000749362_100000033203 [0,2,0,0,0,0|2,0,0]=4 9391 B16R0.70 COC(=O)C(C)CSCCCCCCCCO 62a_100000033203_100000698445 [0,2,0,0,0,0|2,0,0]=4 9392 B16R0.70 COC(=O)C(C)CSCCCCCCCCO 62a_100000698445_100000033203 [0,2,0,0,0,0|2,0,0]=4 9393 B16R0.70 COC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 9394 B16R0.70 COC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 9395 B16R0.70 COC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000211248 [0,2,0,0,0,0|2,0,0]=4 9396 B16R0.70 COC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000211248 [0,2,0,0,0,0|2,0,0]=4 9397 B16R0.70 COC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100000211248 [0,2,0,0,0,0|2,0,0]=4 9398 B16R0.70 COC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000211248 [0,2,0,0,0,0|2,0,0]=4 9399 B16R0.70 COC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 9400 B16R0.70 COC(=O)C(C)OCCCCCCCCCO 34a_100011215400_100009813782 [0,2,0,0,0,0|2,0,0]=4 9401 B16R0.70 COC(=O)C(C)SCCCCCCCCCO 62a_100000211248_100009813782 [0,2,0,0,0,0|2,0,0]=4 9402 B16R0.70 COC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000211248 [0,2,0,0,0,0|2,0,0]=4 9403 B16R0.70 COC(=O)C(F)COCCCCCCCCO 34a_200009849844_100000033203 [0,2,0,0,0,0|2,0,0]=4 9404 B16R0.70 COC(=O)[C@H](N)COCCCCCCCCO 34a_100000003586_100000033203 [0,2,0,0,0,0|2,0,0]=4 9405 B16R0.70 COCCCCCCOCCC(C)C(=O)OC 34a_200012092642_100000034942 [0,2,0,0,0,0|2,0,0]=4 9406 B16R0.70 COCCCCCCOCCC(C)C(=O)OC 7a_200012092642_100000034942 [0,2,0,0,0,0|2,0,0]=4 9407 B16R0.70 COCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100011998445 [0,2,0,0,0,0|2,0,0]=4 9408 B16R0.70 COCCCCCCSCCC(C)C(=O)OC 62a_100011998445_100000034942 [0,2,0,0,0,0|2,0,0]=4 9409 B16R0.108 CCCCCCCC(=O)CCCCC(=O)OC 1458a_100000211969_100000204269 [0,2,0,0,0,0|0,0,1]=3 9410 B16R0.108 CCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210614 [0,2,0,0,0,0|0,0,1]=3 9411 B16R0.108 CCCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210614 [0,2,0,0,0,0|1,0,1]=4 9412 B16R0.108 CCCCCCCC(=O)CCOCC(=O)OC 1458a_100000211969_100000090808 [0,2,0,0,0,0|1,0,1]=4 9413 B16R0.108 CCCCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211969 [0,2,0,0,0,0|1,0,1]=4 9414 B16R0.108 CCCCCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011218727 [0,2,0,0,0,0|2,0,0]=4 9415 B16R0.108 CCCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210596 [0,2,0,0,0,0|2,0,0]=4 9416 B16R0.108 CCCCCCCC(C)NCCCC(=O)NC 34a_100000740002_200011218727 [0,2,0,0,0,0|2,0,0]=4 9417 B16R0.108 CCCCCCCC(C)OCCCC(=O)NC 34a_200011215852_100000741757 [0,2,0,0,0,0|2,0,0]=4 9418 B16R0.108 CCCCCCCC(C)OCCCC(=O)NC 7a_200011215852_100000741757 [0,2,0,0,0,0|2,0,0]=4 9419 B16R0.108 CCCCCCCC(C)OCCCC(=O)NN 34a_100000211488_200011218727 [0,2,0,0,0,0|2,0,0]=4 9420 B16R0.108 CCCCCCCC(C)OCCCC(=O)OC 34a_200011215852_100000742333 [0,2,0,0,0,0|1,0,0]=3 9421 B16R0.108 CCCCCCCC(C)OCCCC(=O)OC 7a_200011215852_100011218270 [0,2,0,0,0,0|1,0,0]=3 9422 B16R0.108 CCCCCCCC(C)OCCNC(=O)OC 34a_100000757965_200011218727 [0,2,0,0,0,0|2,0,0]=4 9423 B16R0.108 CCCCCCCC(C)OCCOC(=O)OC 34a_100010262106_200011218727 [0,2,0,0,0,0|2,0,0]=4 9424 B16R0.108 CCCCCCCC(C)SCCCC(=O)NC 62a_100000741757_200011218727 [0,2,0,0,0,0|2,0,0]=4 9425 B16R0.108 CCCCCCCC(C)SCCCC(=O)NC 62a_200011218727_100000741757 [0,2,0,0,0,0|2,0,0]=4 9426 B16R0.108 CCCCCCCC(C)SCCCC(=O)OC 62a_100011218270_200011218727 [0,2,0,0,0,0|1,0,0]=3 9427 B16R0.108 CCCCCCCC(C)SCCCC(=O)OC 62a_200011218727_100011218270 [0,2,0,0,0,0|1,0,0]=3 9428 B16R0.108 CCCCCCCN(C)CCCCC(=O)OC 2230a_100000228206_100000204269 [0,2,0,0,0,0|1,0,0]=3 9429 B16R0.108 CCCCCCCN(C)CCCCC(=O)OC 269982a_100000228206_100000204269 [0,2,0,0,0,0|1,0,0]=3 9430 B16R0.108 CCCCCCCN(C)CCOCC(=O)OC 2230a_100000228206_100000090808 [0,2,0,0,0,0|2,0,0]=4 9431 B16R0.108 CCCCCCNC(=O)CCCCC(=O)OC 11a_100000210581_100000695723 [0,2,0,0,0,0|1,0,1]=4 9432 B16R0.108 CCCCCCNC(=O)CCCCC(=O)OC 1626a_100000210581_100000695723 [0,2,0,0,0,0|1,0,1]=4 9433 B16R0.108 CCCCCCNC(=O)CCCCC(=O)OC 240690a_100000210581_100000695723 [0,2,0,0,0,0|1,0,1]=4 9434 B16R0.108 CCCCCCNC(=O)CCCCC(=O)OC 527a_100000210581_100000695723 [0,2,0,0,0,0|1,0,1]=4 9435 B16R0.108 CCCCOCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000743108 [0,2,0,0,0,0|1,0,1]=4 9436 B16R0.108 COC(=O)CCCCC(=O)CCCCCCF 1458a_100000695723_100015922095 [0,2,0,0,0,0|1,0,1]=4 9437 B16R0.108 COC(=O)CCCCC(=O)CCCCCCO 1458a_100000695723_100000766143 [0,2,0,0,0,0|1,0,1]=4 9438 B16R0.108 COC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000204269 [0,2,0,0,0,0|1,0,1]=4 9439 B16R0.108 COCCCCCC(=O)CCCCC(=O)OC 1458a_100011935119_100000204269 [0,2,0,0,0,0|1,0,1]=4 9440 B16R0.164 CCC(=O)CCCCCCCCCC(=O)OC 1458a_100000210414_100009813843 [0,2,0,0,0,0|0,0,1]=3 9441 B16R0.164 CCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210202 [0,2,0,0,0,0|0,0,1]=3 9442 B16R0.164 CCC(=O)COCCCCCCCC(=O)OC 34a_100000725409_100010004213 [0,2,0,0,0,0|1,0,1]=4 9443 B16R0.164 CCC(=O)COCCCCCCCC(=O)OC 7a_100011022521_100000747405 [0,2,0,0,0,0|1,0,1]=4 9444 B16R0.164 CCC(=O)CSCCCCCCCC(=O)OC 62a_100000747405_100010004213 [0,2,0,0,0,0|1,0,1]=4 9445 B16R0.164 CCC(=O)CSCCCCCCCC(=O)OC 62a_100010004213_100000747405 [0,2,0,0,0,0|1,0,1]=4 9446 B16R0.164 CCC(C)CCCCCOCCCC(=O)NC 7a_200000035636_100000741757 [0,2,0,0,0,0|2,0,0]=4 9447 B16R0.164 CCC(C)CCCCCOCCCC(=O)OC 7a_200000035636_100011218270 [0,2,0,0,0,0|1,0,0]=3 9448 B16R0.164 CCC(C)CCCOCCCCCC(=O)OC 7a_100011216074_100009816466 [0,2,0,0,0,0|1,0,0]=3 9449 B16R0.164 CCC(C)CCNCCCCCCC(=O)OC 2230a_100020591266_100009815986 [0,2,0,0,0,0|1,0,0]=3 9450 B16R0.164 CCC(C)CCOCCCCCCC(=O)OC 7a_100011215188_100009815986 [0,2,0,0,0,0|1,0,0]=3 9451 B16R0.164 CCC(C)CNCCCCCCCC(=O)OC 2230a_100020588543_100010004213 [0,2,0,0,0,0|1,0,0]=3 9452 B16R0.164 CCC(C)COCCCCCCCC(=O)OC 34a_100011022521_100000748023 [0,2,0,0,0,0|1,0,0]=3 9453 B16R0.164 CCC(C)COCCCCCCCC(=O)OC 7a_100011022521_100000748023 [0,2,0,0,0,0|1,0,0]=3 9454 B16R0.164 CCC(C)CSCCCCCCCC(=O)OC 62a_100000748023_100010004213 [0,2,0,0,0,0|1,0,0]=3 9455 B16R0.164 CCC(C)CSCCCCCCCC(=O)OC 62a_100010004213_100000748023 [0,2,0,0,0,0|1,0,0]=3 9456 B16R0.164 CCC(C)NCCCCCCCCC(=O)OC 2230a_100000209981_100010282707 [0,2,0,0,0,0|1,0,0]=3 9457 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_100011215416 [0,2,0,0,0,0|1,0,0]=3 9458 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_100000758301 [0,2,0,0,0,0|1,0,0]=3 9459 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 7a_100000210228_100010282707 [0,2,0,0,0,0|1,0,0]=3 9460 B16R0.164 CCC(C)SCCCCCCCCC(=O)OC 62a_100000758301_100010282707 [0,2,0,0,0,0|1,0,0]=3 9461 B16R0.164 CCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_100000758301 [0,2,0,0,0,0|1,0,0]=3 9462 B16R0.164 CCC(O)CNCCCCCCCC(=O)OC 2230a_100011218483_100010004213 [0,2,0,0,0,0|1,0,0]=3 9463 B16R0.164 CCC(O)COCCCCCCCC(=O)OC 34a_100011022521_100011218378 [0,2,0,0,0,0|1,0,0]=3 9464 B16R0.164 CCC(O)COCCCCCCCC(=O)OC 7a_100011022521_100011218378 [0,2,0,0,0,0|1,0,0]=3 9465 B16R0.164 CCC(O)CSCCCCCCCC(=O)OC 62a_100010004213_100011218378 [0,2,0,0,0,0|1,0,0]=3 9466 B16R0.164 CCC(O)CSCCCCCCCC(=O)OC 62a_100011218378_100010004213 [0,2,0,0,0,0|1,0,0]=3 9467 B16R0.164 CCN(C)CCCCCCCCCC(=O)OC 2230a_100000225621_100009813843 [0,2,0,0,0,0|1,0,0]=3 9468 B16R0.164 CCN(C)CCCCCCCCCC(=O)OC 269982a_100000225621_100009813843 [0,2,0,0,0,0|1,0,0]=3 9469 B16R0.164 CCN(C)CCCOCCCCCC(=O)OC 7a_100000074720_100015186262 [0,2,0,0,0,0|2,0,0]=4 9470 B16R0.164 CCN(C)CCCSCCCCCC(=O)OC 62a_100009816466_100015186262 [0,2,0,0,0,0|2,0,0]=4 9471 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 34a_100011022521_100009816398 [0,2,0,0,0,0|1,0,0]=3 9472 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 7a_100009816381_100010004213 [0,2,0,0,0,0|1,0,0]=3 9473 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 7a_100011022521_100009816398 [0,2,0,0,0,0|1,0,0]=3 9474 B16R0.164 CC[C@H](C)CSCCCCCCCC(=O)OC 62a_100009816398_100010004213 [0,2,0,0,0,0|1,0,0]=3 9475 B16R0.164 CC[C@H](C)CSCCCCCCCC(=O)OC 62a_100010004213_100009816398 [0,2,0,0,0,0|1,0,0]=3 9476 B16R0.164 CNC(=O)CCCCCCCCCC(=O)OC 11a_106832991635_100009997464 [0,2,0,0,0,0|1,0,1]=4 9477 B16R0.164 CNC(=O)CCCCCCCCCC(=O)OC 1626a_100102657272_100009997464 [0,2,0,0,0,0|1,0,1]=4 9478 B16R0.164 CNC(=O)CCCCCCCCCC(=O)OC 240690a_100102657272_100009997464 [0,2,0,0,0,0|1,0,1]=4 9479 B16R0.164 COC(=O)CCCCCCCCCC(=O)CF 1458a_100009997464_100015361967 [0,2,0,0,0,0|1,0,1]=4 9480 B16R0.164 COC(=O)CCCCCCCCCC(=O)CO 1458a_100000210174_100009813843 [0,2,0,0,0,0|1,0,1]=4 9481 B16R0.164 COC(=O)CCCCCCCCN[C@H](C)CO 2230a_100000737577_100010282707 [0,2,0,0,0,0|2,0,0]=4 9482 B16R0.164 COC(=O)CCCCCCCCOC(C)CF 34a_100016041109_100010282707 [0,2,0,0,0,0|2,0,0]=4 9483 B16R0.164 COC(=O)CCCCCCCCOC(C)CF 7a_100016041109_100010282707 [0,2,0,0,0,0|2,0,0]=4 9484 B16R0.164 COC(=O)CCCCCCCCOC(C)CN 34a_100000210904_100010282707 [0,2,0,0,0,0|2,0,0]=4 9485 B16R0.164 COC(=O)CCCCCCCCOC(C)CO 34a_100000035544_100012180447 [0,2,0,0,0,0|2,0,0]=4 9486 B16R0.164 COC(=O)CCCCCCCCOC(C)CO 7a_100000035544_100012180447 [0,2,0,0,0,0|2,0,0]=4 9487 B16R0.164 COC(=O)CCCCCCCCSC(C)CO 62a_100012180447_100010282707 [0,2,0,0,0,0|2,0,0]=4 9488 B16R0.164 COC(=O)CCCCCCCCSC(C)OC 62a_100009879195_100010282707 [0,2,0,0,0,0|2,0,0]=4 9489 B16R0.164 COC(=O)CCCCCCCCSC(C)OC 62a_100010282707_100009879195 [0,2,0,0,0,0|2,0,0]=4 9490 B16R0.164 COC(=O)CCCCCCCCS[C@H](C)CO 62a_100010282707_100016084084 [0,2,0,0,0,0|2,0,0]=4 9491 B16R0.164 COC(=O)CCCCCCCCS[C@H](C)CO 62a_100016084084_100010282707 [0,2,0,0,0,0|2,0,0]=4 9492 B16R0.164 COC(=O)CCCCCCCNCC(C)CO 34a_100000744482_100010004213 [0,2,0,0,0,0|2,0,0]=4 9493 B16R0.164 COC(=O)CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100010004213 [0,2,0,0,0,0|2,0,0]=4 9494 B16R0.164 COC(=O)CCCCCCCNC[C@@H](F)CO 34a_100015665980_100010004213 [0,2,0,0,0,0|2,0,0]=4 9495 B16R0.164 COC(=O)CCCCCCCNC[C@H](O)CO 2230a_100020644852_100010004213 [0,2,0,0,0,0|2,0,0]=4 9496 B16R0.164 COC(=O)CCCCCCCOCC(C)CN 34a_100000744482_100010004213 [0,2,0,0,0,0|2,0,0]=4 9497 B16R0.164 COC(=O)CCCCCCCOCC(C)OC 34a_100000690652_100010004213 [0,2,0,0,0,0|2,0,0]=4 9498 B16R0.164 COC(=O)CCCCCCCOCC(Cl)CCl 34a_100000033668_100010004213 [0,2,0,0,0,0|2,0,0]=4 9499 B16R0.164 COC(=O)CCCCCCCOCC(O)CO 34a_100011022521_100011219619 [0,2,0,0,0,0|2,0,0]=4 9500 B16R0.164 COC(=O)CCCCCCCOCC(O)CO 7a_100011022521_100011219619 [0,2,0,0,0,0|2,0,0]=4 9501 B16R0.164 COC(=O)CCCCCCCOC[C@@H](C)CO 34a_100011022521_100000059175 [0,2,0,0,0,0|2,0,0]=4 9502 B16R0.164 COC(=O)CCCCCCCOC[C@@H](C)CO 7a_100011022521_100000059175 [0,2,0,0,0,0|2,0,0]=4 9503 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CF 34a_100011022521_100015614560 [0,2,0,0,0,0|2,0,0]=4 9504 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CF 7a_100011022521_100015614560 [0,2,0,0,0,0|2,0,0]=4 9505 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CO 34a_100011022521_100009815848 [0,2,0,0,0,0|2,0,0]=4 9506 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CO 7a_100011022521_100009815848 [0,2,0,0,0,0|2,0,0]=4 9507 B16R0.164 COC(=O)CCCCCCCOC[C@H](F)CN 34a_100015665980_100010004213 [0,2,0,0,0,0|2,0,0]=4 9508 B16R0.164 COC(=O)CCCCCCCSCC(O)CO 62a_100010004213_100011219619 [0,2,0,0,0,0|2,0,0]=4 9509 B16R0.164 COC(=O)CCCCCCCSCC(O)CO 62a_100011219619_100010004213 [0,2,0,0,0,0|2,0,0]=4 9510 B16R0.164 COC(=O)CCCCCCCSC[C@@H](C)CO 62a_100000059175_100010004213 [0,2,0,0,0,0|2,0,0]=4 9511 B16R0.164 COC(=O)CCCCCCCSC[C@@H](C)CO 62a_100010004213_100000059175 [0,2,0,0,0,0|2,0,0]=4 9512 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CF 62a_100010004213_100015614560 [0,2,0,0,0,0|2,0,0]=4 9513 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CF 62a_100015614560_100010004213 [0,2,0,0,0,0|2,0,0]=4 9514 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CO 62a_100009815848_100010004213 [0,2,0,0,0,0|2,0,0]=4 9515 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CO 62a_100010004213_100009815848 [0,2,0,0,0,0|2,0,0]=4 9516 B16R0.164 COC(=O)CCCCCCNCCC(C)CO 2230a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 9517 B16R0.164 COC(=O)CCCCCCNCCC(C)CO 34a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 9518 B16R0.164 COC(=O)CCCCCCOCCC(C)OC 7a_100000764861_100009815986 [0,2,0,0,0,0|2,0,0]=4 9519 B16R0.164 COC(=O)CCCCCOCCC[C@@H](C)CN 34a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 9520 B16R0.165 C=C(C)CCOCCCCCCCC(=O)OC 34a_100000764851_100010004213 [0,2,0,0,0,0|1,0,1]=4 9521 B16R0.165 C=C(C)CCOCCCCCCCC(=O)OC 34a_100011022521_100000730704 [0,2,0,0,0,0|1,0,1]=4 9522 B16R0.165 C=C(C)CCOCCCCCCCC(=O)OC 7a_100011022521_100000730704 [0,2,0,0,0,0|1,0,1]=4 9523 B16R0.165 C=C(C)CCSCCCCCCCC(=O)OC 62a_100000730704_100010004213 [0,2,0,0,0,0|1,0,1]=4 9524 B16R0.165 C=C(C)CCSCCCCCCCC(=O)OC 62a_100010004213_100000730704 [0,2,0,0,0,0|1,0,1]=4 9525 B16R0.165 C=C(C)COCCCCCCCCC(=O)OC 34a_100000035544_100000748629 [0,2,0,0,0,0|1,0,1]=4 9526 B16R0.165 C=C(C)COCCCCCCCCC(=O)OC 34a_100000210245_100010282707 [0,2,0,0,0,0|1,0,1]=4 9527 B16R0.165 C=C(C)COCCCCCCCCC(=O)OC 7a_100000035544_100000748629 [0,2,0,0,0,0|1,0,1]=4 9528 B16R0.165 C=C(C)CSCCCCCCCCC(=O)OC 62a_100000748629_100010282707 [0,2,0,0,0,0|1,0,1]=4 9529 B16R0.165 C=C(C)CSCCCCCCCCC(=O)OC 62a_100010282707_100000211660 [0,2,0,0,0,0|1,0,1]=4 9530 B16R0.165 CCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210414_200010167045 [0,2,0,0,0,0|1,0,0]=3 9531 B16R0.165 CCC(C)CCCCCOCCCCB(O)O 7a_200000035636_200009817182 [0,2,0,0,0,0|1,0,1]=4 9532 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [0,2,0,0,0,0|1,0,0]=3 9533 B16R0.165 CCC(C)CCCCCOCCCOC(=O)C 7a_200000035636_100000042594 [0,2,0,0,0,0|2,0,0]=4 9534 B16R0.165 CCC(C)CCCCCOCCCSC(=O)C 7a_200000035636_100000038929 [0,2,0,0,0,0|2,0,0]=4 9535 B16R0.165 CCC(C)CCCCCOCCOCC(=O)N 7a_200000035636_100000076697 [0,2,0,0,0,0|2,0,0]=4 9536 B16R0.165 CCC(C)CCCOCCCCCCB(O)O 7a_100011216074_100009817187 [0,2,0,0,0,0|1,0,1]=4 9537 B16R0.165 CCC(C)CCCOCCCCCOC(=O)C 7a_100011216074_100000033007 [0,2,0,0,0,0|2,0,0]=4 9538 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 2230a_100000225621_200010167045 [0,2,0,0,0,0|1,0,0]=3 9539 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 269982a_100000225621_200010167045 [0,2,0,0,0,0|1,0,0]=3 9540 B16R0.165 CNC(=O)CCCNCCCCCCC(C)C 2230a_100000211014_100000741757 [0,2,0,0,0,0|2,0,0]=4 9541 B16R0.165 CNC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000741757 [0,2,0,0,0,0|2,0,0]=4 9542 B16R0.165 CNC(=O)CCOCCCCCCCC(C)C 34a_200000210741_100012179268 [0,2,0,0,0,0|2,0,0]=4 9543 B16R0.165 CNC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000737683 [0,2,0,0,0,0|2,0,0]=4 9544 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009812566 [0,2,0,0,0,0|0,0,1]=3 9545 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100016987261_200000210301 [0,2,0,0,0,0|0,0,1]=3 9546 B16R0.165 COC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_100016987261_200025704644 [0,2,0,0,0,0|0,0,1]=3 9547 B16R0.165 COC(=O)CCCCCCCCCCN(C)C 2230a_100102631434_100009812566 [0,2,0,0,0,0|1,0,0]=3 9548 B16R0.165 COC(=O)CCCCCCCCCCN(C)C 269982a_100102631434_100009812566 [0,2,0,0,0,0|1,0,0]=3 9549 B16R0.165 COC(=O)CCCCCCCCCNC(C)C 2230a_100138425928_100009813843 [0,2,0,0,0,0|1,0,0]=3 9550 B16R0.165 COC(=O)CCCCCCCCCNC(C)C 34a_100138425928_100009813843 [0,2,0,0,0,0|1,0,0]=3 9551 B16R0.165 COC(=O)CCCCCCCCCOC(C)C 34a_100000212225_100009813843 [0,2,0,0,0,0|1,0,0]=3 9552 B16R0.165 COC(=O)CCCCCCCCCSC(C)C 62a_100000210206_100009813843 [0,2,0,0,0,0|1,0,0]=3 9553 B16R0.165 COC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010282707 [0,2,0,0,0,0|1,0,1]=4 9554 B16R0.165 COC(=O)CCCCCCCCNCC(C)C 2230a_100000210953_100010282707 [0,2,0,0,0,0|1,0,0]=3 9555 B16R0.165 COC(=O)CCCCCCCCNCC(C)C 34a_100000210953_100010282707 [0,2,0,0,0,0|1,0,0]=3 9556 B16R0.165 COC(=O)CCCCCCCCNCC(C)O 2230a_100000210904_100010282707 [0,2,0,0,0,0|1,0,0]=3 9557 B16R0.165 COC(=O)CCCCCCCCNCC(C)O 34a_100000210904_100010282707 [0,2,0,0,0,0|1,0,0]=3 9558 B16R0.165 COC(=O)CCCCCCCCNCC(F)F 34a_100000765723_100010282707 [0,2,0,0,0,0|2,0,0]=4 9559 B16R0.165 COC(=O)CCCCCCCCOCC(=O)C 34a_100000211253_100010282707 [0,2,0,0,0,0|1,0,1]=4 9560 B16R0.165 COC(=O)CCCCCCCCOCC(C)Br 34a_100012180447_100010282707 [0,2,0,0,0,0|1,0,0]=3 9561 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 34a_100000035544_100000210624 [0,2,0,0,0,0|1,0,0]=3 9562 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 34a_100000210257_100010282707 [0,2,0,0,0,0|1,0,0]=3 9563 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 7a_100000035544_100000210760 [0,2,0,0,0,0|1,0,0]=3 9564 B16R0.165 COC(=O)CCCCCCCCOCC(C)F 34a_100015925927_100010282707 [0,2,0,0,0,0|1,0,0]=3 9565 B16R0.165 COC(=O)CCCCCCCCOCC(C)O 34a_100000035544_100011218427 [0,2,0,0,0,0|1,0,0]=3 9566 B16R0.165 COC(=O)CCCCCCCCOCC(C)O 7a_100000035544_100011218427 [0,2,0,0,0,0|1,0,0]=3 9567 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 34a_100000035544_100011934356 [0,2,0,0,0,0|2,0,0]=4 9568 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 34a_100000743014_100010282707 [0,2,0,0,0,0|2,0,0]=4 9569 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 7a_100000035544_100011934356 [0,2,0,0,0,0|2,0,0]=4 9570 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010282707 [0,2,0,0,0,0|1,0,0]=3 9571 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)N 34a_100000737577_100010282707 [0,2,0,0,0,0|1,0,0]=3 9572 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)O 34a_100000035544_100009817552 [0,2,0,0,0,0|1,0,0]=3 9573 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)O 7a_100000035544_100009817552 [0,2,0,0,0,0|1,0,0]=3 9574 B16R0.165 COC(=O)CCCCCCCCSCC(C)C 62a_100000210624_100010282707 [0,2,0,0,0,0|1,0,0]=3 9575 B16R0.165 COC(=O)CCCCCCCCSCC(C)C 62a_100010282707_100000210760 [0,2,0,0,0,0|1,0,0]=3 9576 B16R0.165 COC(=O)CCCCCCCCSCC(C)O 62a_100010282707_100011218427 [0,2,0,0,0,0|1,0,0]=3 9577 B16R0.165 COC(=O)CCCCCCCCSCC(C)O 62a_100011218427_100010282707 [0,2,0,0,0,0|1,0,0]=3 9578 B16R0.165 COC(=O)CCCCCCCCSCC(F)F 62a_100010282707_100011934356 [0,2,0,0,0,0|2,0,0]=4 9579 B16R0.165 COC(=O)CCCCCCCCSCC(F)F 62a_100011934356_100010282707 [0,2,0,0,0,0|2,0,0]=4 9580 B16R0.165 COC(=O)CCCCCCCCSC[C@@H](C)O 62a_100009817552_100010282707 [0,2,0,0,0,0|1,0,0]=3 9581 B16R0.165 COC(=O)CCCCCCCCSC[C@@H](C)O 62a_100010282707_100009817552 [0,2,0,0,0,0|1,0,0]=3 9582 B16R0.165 COC(=O)CCCCCCCNCCC(C)O 2230a_200000755665_100010004213 [0,2,0,0,0,0|1,0,0]=3 9583 B16R0.165 COC(=O)CCCCCCCOCCC(=O)C 34a_100000759926_100010004213 [0,2,0,0,0,0|1,0,1]=4 9584 B16R0.165 COC(=O)CCCCCCCOCCC(=O)C 7a_100000759926_100010004213 [0,2,0,0,0,0|1,0,1]=4 9585 B16R0.165 COC(=O)CCCCCCCOCCC(=O)C 7a_100011022521_100000053229 [0,2,0,0,0,0|1,0,1]=4 9586 B16R0.165 COC(=O)CCCCCCCOCCC(C)Br 34a_100009893172_100010004213 [0,2,0,0,0,0|1,0,0]=3 9587 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 34a_100000210254_100010004213 [0,2,0,0,0,0|1,0,0]=3 9588 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 34a_100011022521_100000210312 [0,2,0,0,0,0|1,0,0]=3 9589 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 7a_100000210254_100010004213 [0,2,0,0,0,0|1,0,0]=3 9590 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 7a_100011022521_100000210626 [0,2,0,0,0,0|1,0,0]=3 9591 B16R0.165 COC(=O)CCCCCCCOCCC(C)O 34a_100011022521_100012276601 [0,2,0,0,0,0|1,0,0]=3 9592 B16R0.165 COC(=O)CCCCCCCOCCC(C)O 7a_100011022521_100012276601 [0,2,0,0,0,0|1,0,0]=3 9593 B16R0.165 COC(=O)CCCCCCCOCCC(F)F 34a_100103093639_100010004213 [0,2,0,0,0,0|2,0,0]=4 9594 B16R0.165 COC(=O)CCCCCCCOCCN(C)C 7a_100011022521_100000755713 [0,2,0,0,0,0|2,0,0]=4 9595 B16R0.165 COC(=O)CCCCCCCOCC[C@@H](C)N 34a_100000706166_100010004213 [0,2,0,0,0,0|1,0,0]=3 9596 B16R0.165 COC(=O)CCCCCCCOCOC(C)C 34a_100011022521_100000709892 [0,2,0,0,0,0|2,0,0]=4 9597 B16R0.165 COC(=O)CCCCCCCSCCC(=O)C 62a_100000053229_100010004213 [0,2,0,0,0,0|1,0,1]=4 9598 B16R0.165 COC(=O)CCCCCCCSCCC(=O)C 62a_100010004213_100000053229 [0,2,0,0,0,0|1,0,1]=4 9599 B16R0.165 COC(=O)CCCCCCCSCCC(C)C 62a_100000210312_100010004213 [0,2,0,0,0,0|1,0,0]=3 9600 B16R0.165 COC(=O)CCCCCCCSCCC(C)C 62a_100010004213_100000210312 [0,2,0,0,0,0|1,0,0]=3 9601 B16R0.165 COC(=O)CCCCCCCSCCC(C)O 62a_100010004213_100012276601 [0,2,0,0,0,0|1,0,0]=3 9602 B16R0.165 COC(=O)CCCCCCCSCCC(C)O 62a_100012276601_100010004213 [0,2,0,0,0,0|1,0,0]=3 9603 B16R0.165 COC(=O)CCCCCCCSCCN(C)C 62a_100010004213_100000755713 [0,2,0,0,0,0|2,0,0]=4 9604 B16R0.165 COC(=O)CCCCCCCSCOC(C)C 62a_100000709892_100010004213 [0,2,0,0,0,0|2,0,0]=4 9605 B16R0.165 COC(=O)CCCCCCCSCOC(C)C 62a_100010004213_100000709892 [0,2,0,0,0,0|2,0,0]=4 9606 B16R0.165 COC(=O)CCCCCCNCCCC(C)C 2230a_200000737386_100009815986 [0,2,0,0,0,0|1,0,0]=3 9607 B16R0.165 COC(=O)CCCCCCNCCCC(C)C 34a_200000737386_100009815986 [0,2,0,0,0,0|1,0,0]=3 9608 B16R0.165 COC(=O)CCCCCCNCCCS(=O)C 2230a_200000753449_100009815986 [0,2,0,0,0,0|2,0,0]=4 9609 B16R0.165 COC(=O)CCCCCCNCCOC(C)C 2230a_100000701111_100009815986 [0,2,0,0,0,0|2,0,0]=4 9610 B16R0.165 COC(=O)CCCCCCNCCOC(C)C 34a_100000701111_100009815986 [0,2,0,0,0,0|2,0,0]=4 9611 B16R0.165 COC(=O)CCCCCCNCCSC(C)C 2230a_100000731138_100009815986 [0,2,0,0,0,0|2,0,0]=4 9612 B16R0.165 COC(=O)CCCCCCNCCSC(C)C 34a_100000731138_100009815986 [0,2,0,0,0,0|2,0,0]=4 9613 B16R0.165 COC(=O)CCCCCCOCCCC(=O)C 34a_100000759063_100009815986 [0,2,0,0,0,0|1,0,1]=4 9614 B16R0.165 COC(=O)CCCCCCOCCCC(=O)C 34a_100009863599_100000685027 [0,2,0,0,0,0|1,0,1]=4 9615 B16R0.165 COC(=O)CCCCCCOCCCC(=O)C 7a_100000759063_100009815986 [0,2,0,0,0,0|1,0,1]=4 9616 B16R0.165 COC(=O)CCCCCCOCCCC(=O)C 7a_100009863599_100011215641 [0,2,0,0,0,0|1,0,1]=4 9617 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 34a_100000210774_100009815986 [0,2,0,0,0,0|1,0,0]=3 9618 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 34a_100009863599_100011214892 [0,2,0,0,0,0|1,0,0]=3 9619 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 7a_100000210774_100009815986 [0,2,0,0,0,0|1,0,0]=3 9620 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 7a_100009863599_100011214892 [0,2,0,0,0,0|1,0,0]=3 9621 B16R0.165 COC(=O)CCCCCCOCCCC(C)O 34a_100009863599_200000718107 [0,2,0,0,0,0|1,0,0]=3 9622 B16R0.165 COC(=O)CCCCCCOCCCC(C)O 7a_100009863599_200000718107 [0,2,0,0,0,0|1,0,0]=3 9623 B16R0.165 COC(=O)CCCCCCOCCCN(C)C 7a_100009863599_100000757444 [0,2,0,0,0,0|2,0,0]=4 9624 B16R0.165 COC(=O)CCCCCCOCCNC(C)C 34a_100000224655_100009815986 [0,2,0,0,0,0|2,0,0]=4 9625 B16R0.165 COC(=O)CCCCCCOCCOC(C)C 34a_100000211219_100009815986 [0,2,0,0,0,0|2,0,0]=4 9626 B16R0.165 COC(=O)CCCCCCOCCOC(C)C 34a_100009863599_100000211751 [0,2,0,0,0,0|2,0,0]=4 9627 B16R0.165 COC(=O)CCCCCCOCCOC(C)C 7a_100000211219_100009815986 [0,2,0,0,0,0|2,0,0]=4 9628 B16R0.165 COC(=O)CCCCCCOCCOC(C)C 7a_100009863599_100000211751 [0,2,0,0,0,0|2,0,0]=4 9629 B16R0.165 COC(=O)CCCCCCOCCSC(C)C 34a_100009863599_100000730970 [0,2,0,0,0,0|2,0,0]=4 9630 B16R0.165 COC(=O)CCCCCCOCCSC(C)C 34a_200011212901_100009815986 [0,2,0,0,0,0|2,0,0]=4 9631 B16R0.165 COC(=O)CCCCCCOCCSC(C)C 7a_100009863599_100000730970 [0,2,0,0,0,0|2,0,0]=4 9632 B16R0.165 COC(=O)CCCCCCOCCSC(C)C 7a_200011212901_100009815986 [0,2,0,0,0,0|2,0,0]=4 9633 B16R0.165 COC(=O)CCCCCCSCCCC(=O)C 62a_100009815986_100011215641 [0,2,0,0,0,0|1,0,1]=4 9634 B16R0.165 COC(=O)CCCCCCSCCCC(=O)C 62a_100011215641_100009815986 [0,2,0,0,0,0|1,0,1]=4 9635 B16R0.165 COC(=O)CCCCCCSCCCC(C)C 62a_100009815986_100011214892 [0,2,0,0,0,0|1,0,0]=3 9636 B16R0.165 COC(=O)CCCCCCSCCCC(C)C 62a_100011214892_100009815986 [0,2,0,0,0,0|1,0,0]=3 9637 B16R0.165 COC(=O)CCCCCCSCCCC(C)O 62a_100009815986_200000718107 [0,2,0,0,0,0|1,0,0]=3 9638 B16R0.165 COC(=O)CCCCCCSCCCC(C)O 62a_200000718107_100009815986 [0,2,0,0,0,0|1,0,0]=3 9639 B16R0.165 COC(=O)CCCCCCSCCCN(C)C 62a_100009815986_100000757444 [0,2,0,0,0,0|2,0,0]=4 9640 B16R0.165 COC(=O)CCCCCCSCCOC(C)C 62a_100000211751_100009815986 [0,2,0,0,0,0|2,0,0]=4 9641 B16R0.165 COC(=O)CCCCCCSCCOC(C)C 62a_100009815986_100000211751 [0,2,0,0,0,0|2,0,0]=4 9642 B16R0.165 COC(=O)CCCCCCSCCSC(C)C 62a_100000730970_100009815986 [0,2,0,0,0,0|2,0,0]=4 9643 B16R0.165 COC(=O)CCCCCCSCCSC(C)C 62a_100009815986_100000730970 [0,2,0,0,0,0|2,0,0]=4 9644 B16R0.165 COC(=O)CCCCCNCCCOC(C)C 2230a_100000737246_100009816466 [0,2,0,0,0,0|2,0,0]=4 9645 B16R0.165 COC(=O)CCCCCNCCCOC(C)C 34a_100000737246_100009816466 [0,2,0,0,0,0|2,0,0]=4 9646 B16R0.165 COC(=O)CCCCCOCCCCC(=O)C 34a_100000074720_100009817362 [0,2,0,0,0,0|1,0,1]=4 9647 B16R0.165 COC(=O)CCCCCOCCCCC(=O)C 7a_100000074720_100000735457 [0,2,0,0,0,0|1,0,1]=4 9648 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 34a_100000074720_100011216152 [0,2,0,0,0,0|1,0,0]=3 9649 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 34a_100011214890_100009816466 [0,2,0,0,0,0|1,0,0]=3 9650 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 7a_100000074720_100011216152 [0,2,0,0,0,0|1,0,0]=3 9651 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 7a_100011214890_100009816466 [0,2,0,0,0,0|1,0,0]=3 9652 B16R0.165 COC(=O)CCCCCOCCCNC(C)C 34a_100000182298_100009816466 [0,2,0,0,0,0|2,0,0]=4 9653 B16R0.165 COC(=O)CCCCCOCCNCC(C)C 34a_100015185251_100009816466 [0,2,0,0,0,0|2,0,0]=4 9654 B16R0.165 COC(=O)CCCCCOCCOCC(C)C 34a_100000703358_100009816466 [0,2,0,0,0,0|2,0,0]=4 9655 B16R0.165 COC(=O)CCCCCOCCOCC(C)C 7a_100000703358_100009816466 [0,2,0,0,0,0|2,0,0]=4 9656 B16R0.165 COC(=O)CCCCCOCCSCC(C)C 34a_200000230437_100009816466 [0,2,0,0,0,0|2,0,0]=4 9657 B16R0.165 COC(=O)CCCCCOCCSCC(C)C 7a_200000230437_100009816466 [0,2,0,0,0,0|2,0,0]=4 9658 B16R0.165 COC(=O)CCCCCSCCCCC(=O)C 62a_100000735457_100009816466 [0,2,0,0,0,0|1,0,1]=4 9659 B16R0.165 COC(=O)CCCCCSCCCCC(=O)C 62a_100009816466_100000735457 [0,2,0,0,0,0|1,0,1]=4 9660 B16R0.165 COC(=O)CCCCCSCCCCC(C)C 62a_100009816466_100011216152 [0,2,0,0,0,0|1,0,0]=3 9661 B16R0.165 COC(=O)CCCCCSCCCCC(C)C 62a_100011216152_100009816466 [0,2,0,0,0,0|1,0,0]=3 9662 B16R0.165 COC(=O)CCCCCSCCCCN(C)C 62a_100009816466_100000690147 [0,2,0,0,0,0|2,0,0]=4 9663 B16R0.165 COC(=O)CCCCNCCCCCC(C)C 2230a_100011290863_100000204269 [0,2,0,0,0,0|1,0,0]=3 9664 B16R0.165 COC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100000204269 [0,2,0,0,0,0|1,0,0]=3 9665 B16R0.165 COC(=O)CCCCNCCCOCC(C)C 2230a_100000205972_100000204269 [0,2,0,0,0,0|2,0,0]=4 9666 B16R0.165 COC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100000204269 [0,2,0,0,0,0|2,0,0]=4 9667 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 34a_100000059025_100000210682 [0,2,0,0,0,0|1,0,0]=3 9668 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100000204269 [0,2,0,0,0,0|1,0,0]=3 9669 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 7a_100000059025_100000210682 [0,2,0,0,0,0|1,0,0]=3 9670 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000204269 [0,2,0,0,0,0|1,0,0]=3 9671 B16R0.165 COC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100000204269 [0,2,0,0,0,0|2,0,0]=4 9672 B16R0.165 COC(=O)CCCCSCCCCCC(C)C 62a_100000204269_100000210682 [0,2,0,0,0,0|1,0,0]=3 9673 B16R0.165 COC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000204269 [0,2,0,0,0,0|1,0,0]=3 9674 B16R0.165 COC(=O)CCCNCCCCCCC(C)C 2230a_100000211014_100011218270 [0,2,0,0,0,0|1,0,0]=3 9675 B16R0.165 COC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000742333 [0,2,0,0,0,0|1,0,0]=3 9676 B16R0.165 COC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100000742333 [0,2,0,0,0,0|2,0,0]=4 9677 B16R0.165 COC(=O)CCOCCCCCCCC(C)C 34a_200000210741_100000742370 [0,2,0,0,0,0|1,0,0]=3 9678 B16R0.165 COC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000204255 [0,2,0,0,0,0|1,0,0]=3 9679 B16R0.165 COC(=O)COCCNCCCCCC(C)C 2230a_100011290863_100000090808 [0,2,0,0,0,0|2,0,0]=4 9680 B16R0.165 COC(=O)COCCNCCCCCC(C)C 34a_100011290863_100000090808 [0,2,0,0,0,0|2,0,0]=4 9681 B16R0.165 COC(=O)COCCOCCCCCC(C)C 34a_100011995859_100000090808 [0,2,0,0,0,0|2,0,0]=4 9682 B16R0.165 COC(=O)COCCOCCCCCC(C)C 7a_100011995859_100000090808 [0,2,0,0,0,0|2,0,0]=4 9683 B16R0.165 COC(=O)COCCSCCCCCC(C)C 62a_100000090808_100000210682 [0,2,0,0,0,0|2,0,0]=4 9684 B16R0.165 COC(=O)COCCSCCCCCC(C)C 62a_100000210682_100000090808 [0,2,0,0,0,0|2,0,0]=4 9685 B16R0.165 NC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_200010167045 [0,2,0,0,0,0|1,0,1]=4 9686 B16R0.184 CCCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210757 [0,2,0,0,0,0|0,0,1]=3 9687 B16R0.184 CCCCCCC(=O)CCCCCC(=O)OC 1458a_100102632555_100009816466 [0,2,0,0,0,0|0,0,1]=3 9688 B16R0.184 CCCCCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100102632555 [0,2,0,0,0,0|1,0,1]=4 9689 B16R0.184 CCCCCCC(C)CCOCCC(=O)NC 34a_200011024964_100012179268 [0,2,0,0,0,0|2,0,0]=4 9690 B16R0.184 CCCCCCC(C)CCOCCC(=O)NC 7a_200011024964_100000737683 [0,2,0,0,0,0|2,0,0]=4 9691 B16R0.184 CCCCCCC(C)CCOCCC(=O)OC 34a_200011024964_100000742370 [0,2,0,0,0,0|1,0,0]=3 9692 B16R0.184 CCCCCCC(C)CCOCCC(=O)OC 7a_200011024964_100000204255 [0,2,0,0,0,0|1,0,0]=3 9693 B16R0.184 CCCCCCC(C)NCCCCC(=O)OC 2230a_100000210919_100000204269 [0,2,0,0,0,0|1,0,0]=3 9694 B16R0.184 CCCCCCC(C)NCCCCC(=O)OC 34a_100000210919_100000204269 [0,2,0,0,0,0|1,0,0]=3 9695 B16R0.184 CCCCCCC(C)NCCOCC(=O)OC 2230a_100000210919_100000090808 [0,2,0,0,0,0|2,0,0]=4 9696 B16R0.184 CCCCCCC(C)NCCOCC(=O)OC 34a_100000210919_100000090808 [0,2,0,0,0,0|2,0,0]=4 9697 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 34a_100000059025_100011215978 [0,2,0,0,0,0|1,0,0]=3 9698 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 34a_100000210265_100000204269 [0,2,0,0,0,0|1,0,0]=3 9699 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 7a_100000059025_100011215978 [0,2,0,0,0,0|1,0,0]=3 9700 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 7a_100000210265_100000204269 [0,2,0,0,0,0|1,0,0]=3 9701 B16R0.184 CCCCCCC(C)OCCOCC(=O)OC 34a_100000210265_100000090808 [0,2,0,0,0,0|2,0,0]=4 9702 B16R0.184 CCCCCCC(C)OCCOCC(=O)OC 7a_100000210265_100000090808 [0,2,0,0,0,0|2,0,0]=4 9703 B16R0.184 CCCCCCC(C)SCCCCC(=O)OC 62a_100000204269_100011215978 [0,2,0,0,0,0|1,0,0]=3 9704 B16R0.184 CCCCCCC(C)SCCCCC(=O)OC 62a_100011215978_100000204269 [0,2,0,0,0,0|1,0,0]=3 9705 B16R0.184 CCCCCCC(C)SCCOCC(=O)OC 62a_100000090808_100011215978 [0,2,0,0,0,0|2,0,0]=4 9706 B16R0.184 CCCCCCC(C)SCCOCC(=O)OC 62a_100011215978_100000090808 [0,2,0,0,0,0|2,0,0]=4 9707 B16R0.184 CCCCCCN(C)CCCCCC(=O)OC 2230a_106256046315_100009816466 [0,2,0,0,0,0|1,0,0]=3 9708 B16R0.184 CCCCCCN(C)CCCCCC(=O)OC 269982a_106256046315_100009816466 [0,2,0,0,0,0|1,0,0]=3 9709 B16R0.184 CCCCCNC(=O)CCCCCC(=O)OC 11a_100000209983_100009848860 [0,2,0,0,0,0|1,0,1]=4 9710 B16R0.184 CCCCCNC(=O)CCCCCC(=O)OC 1626a_100000209983_100009848860 [0,2,0,0,0,0|1,0,1]=4 9711 B16R0.184 CCCCCNC(=O)CCCCCC(=O)OC 240690a_100000209983_100009848860 [0,2,0,0,0,0|1,0,1]=4 9712 B16R0.184 CCCCOCC(=O)CCCCCC(=O)OC 1458a_100000757543_100009816466 [0,2,0,0,0,0|1,0,1]=4 9713 B16R0.184 CCCCOCC(=O)CCCCCC(=O)OC 1458a_100009848860_100011995733 [0,2,0,0,0,0|1,0,1]=4 9714 B16R0.184 CCCCOCC(C)OCCCCC(=O)OC 34a_100011217071_100000204269 [0,2,0,0,0,0|2,0,0]=4 9715 B16R0.184 CCCCOCC(C)OCCCCC(=O)OC 7a_100011217071_100000204269 [0,2,0,0,0,0|2,0,0]=4 9716 B16R0.184 CCCCSCC(=O)CCCCCC(=O)OC 1458a_100000191162_100009816466 [0,2,0,0,0,0|1,0,1]=4 9717 B16R0.184 CCCOCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100011215938 [0,2,0,0,0,0|1,0,1]=4 9718 B16R0.184 CCOCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100012232248 [0,2,0,0,0,0|1,0,1]=4 9719 B16R0.184 COC(=O)CCCCCC(=O)CCCCCF 1458a_100009848860_100000729378 [0,2,0,0,0,0|1,0,1]=4 9720 B16R0.184 COC(=O)CCCCCC(=O)CCCCCO 1458a_100009848860_100000746330 [0,2,0,0,0,0|1,0,1]=4 9721 B16R0.184 COC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009816466 [0,2,0,0,0,0|1,0,1]=4 9722 B16R0.184 COC(=O)CCCCCN(C)CCCCCO 2230a_100000722520_100009816466 [0,2,0,0,0,0|2,0,0]=4 9723 B16R0.184 COC(=O)CCCCCN(C)CCCCCO 269982a_100000722520_100009816466 [0,2,0,0,0,0|2,0,0]=4 9724 B16R0.184 COCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000755781 [0,2,0,0,0,0|1,0,1]=4 9725 B16R0.221 C#CC(=O)CCCCCCCCCCCC=C 1458a_100000211873_102130925996 [0,2,0,0,0,0|1,0,1]=4 9726 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [0,2,0,0,0,0|1,0,0]=3 9727 B16R0.221 C#CC(=O)CCCCCCCCCCCCO 1458a_100000211873_100009813331 [0,2,0,0,0,0|1,0,0]=3 9728 B16R0.221 C#CC(=O)CCCCCCOCCCCCO 1458a_100000211873_200132310570 [0,2,0,0,0,0|2,0,0]=4 9729 B16R0.221 C#CC(O)CCCCCNCCCCCCC 2230a_100000229938_200010408556 [0,2,0,0,0,0|1,0,1]=4 9730 B16R0.221 C#CC(O)CCCCCOCCCCCCC 34a_100000210272_200010408556 [0,2,0,0,0,0|1,0,1]=4 9731 B16R0.221 C#CC(O)CCCCCOCCCCCCC 7a_100000210272_200010408556 [0,2,0,0,0,0|1,0,1]=4 9732 B16R0.221 C#CC(O)CCCCCSCCCCCCC 62a_100000210614_200010408556 [0,2,0,0,0,0|1,0,1]=4 9733 B16R0.221 C#CC(O)CCCCCSCCCCCCC 62a_200010408556_100000210316 [0,2,0,0,0,0|1,0,1]=4 9734 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 34a_100000034437_100000747449 [0,2,0,0,0,0|0,0,2]=4 9735 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 7a_100000034437_100000747449 [0,2,0,0,0,0|0,0,2]=4 9736 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 34a_100000065265_100000742370 [0,2,0,0,0,0|0,0,2]=4 9737 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 7a_100000065265_100000204255 [0,2,0,0,0,0|0,0,2]=4 9738 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 34a_100000054614_100000742333 [0,2,0,0,0,0|0,0,2]=4 9739 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 7a_100000054614_100011218270 [0,2,0,0,0,0|0,0,2]=4 9740 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100011218270_100153394163 [0,2,0,0,0,0|0,0,2]=4 9741 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100153394163_100011218270 [0,2,0,0,0,0|0,0,2]=4 9742 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100000059025_100012276617 [0,2,0,0,0,0|0,0,2]=4 9743 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100011217361_100000204269 [0,2,0,0,0,0|0,0,2]=4 9744 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100000059025_100012276617 [0,2,0,0,0,0|0,0,2]=4 9745 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100011217361_100000204269 [0,2,0,0,0,0|0,0,2]=4 9746 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100000204269_100012276617 [0,2,0,0,0,0|0,0,2]=4 9747 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100012276617_100000204269 [0,2,0,0,0,0|0,0,2]=4 9748 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000074720_100012094781 [0,2,0,0,0,0|0,0,2]=4 9749 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000766912_100009816466 [0,2,0,0,0,0|0,0,2]=4 9750 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000074720_100012094781 [0,2,0,0,0,0|0,0,2]=4 9751 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000766912_100009816466 [0,2,0,0,0,0|0,0,2]=4 9752 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100009816466_100012094781 [0,2,0,0,0,0|0,0,2]=4 9753 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100012094781_100009816466 [0,2,0,0,0,0|0,0,2]=4 9754 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 2230a_100000706060_100009815986 [0,2,0,0,0,0|0,0,2]=4 9755 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 34a_100000706060_100009815986 [0,2,0,0,0,0|0,0,2]=4 9756 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100000766709_100009815986 [0,2,0,0,0,0|0,0,2]=4 9757 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100009863599_100010269958 [0,2,0,0,0,0|0,0,2]=4 9758 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100000766709_100009815986 [0,2,0,0,0,0|0,0,2]=4 9759 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100009863599_100010269958 [0,2,0,0,0,0|0,0,2]=4 9760 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100009815986_100010269958 [0,2,0,0,0,0|0,0,2]=4 9761 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100010269958_100009815986 [0,2,0,0,0,0|0,0,2]=4 9762 B16R0.221 C#CCCCNCCCCCCCC(=O)OC 34a_100000718082_100010004213 [0,2,0,0,0,0|0,0,2]=4 9763 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100000215630_100010004213 [0,2,0,0,0,0|0,0,2]=4 9764 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000695029 [0,2,0,0,0,0|0,0,2]=4 9765 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100000215630_100010004213 [0,2,0,0,0,0|0,0,2]=4 9766 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100011022521_100011215417 [0,2,0,0,0,0|0,0,2]=4 9767 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100010004213_100011215417 [0,2,0,0,0,0|0,0,2]=4 9768 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100011215417_100010004213 [0,2,0,0,0,0|0,0,2]=4 9769 B16R0.221 C#CCCNCCCCCCCCC(=O)OC 34a_100000755551_100010282707 [0,2,0,0,0,0|0,0,2]=4 9770 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000688953 [0,2,0,0,0,0|0,0,2]=4 9771 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100011215631_100010282707 [0,2,0,0,0,0|0,0,2]=4 9772 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000688953 [0,2,0,0,0,0|0,0,2]=4 9773 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100000688953_100010282707 [0,2,0,0,0,0|0,0,2]=4 9774 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000688953 [0,2,0,0,0,0|0,0,2]=4 9775 B16R0.221 C#CCNCCCCCCCCCC(=O)OC 34a_100000212058_100009813843 [0,2,0,0,0,0|0,0,2]=4 9776 B16R0.221 C#CCOCCCCCCCCCC(=O)OC 34a_100000210247_100009813843 [0,2,0,0,0,0|0,0,2]=4 9777 B16R0.221 C#CCSCCCCCCCCCC(=O)OC 62a_100000038162_100009813843 [0,2,0,0,0,0|0,0,2]=4 9778 B16R0.221 C/C=C/CCOCCCCCCCC(=O)OC 34a_100016278192_100010004213 [0,2,0,0,0,0|0,0,2]=4 9779 B16R0.221 C/C=C/COCCCCCCCCC(=O)OC 34a_100000035544_100102629194 [0,2,0,0,0,0|0,0,2]=4 9780 B16R0.221 C/C=C/COCCCCCCCCC(=O)OC 34a_100016270725_100010282707 [0,2,0,0,0,0|0,0,2]=4 9781 B16R0.221 C/C=C/COCCCCCCCCC(=O)OC 7a_100000035544_100102629194 [0,2,0,0,0,0|0,0,2]=4 9782 B16R0.221 C/C=C/CSCCCCCCCCC(=O)OC 62a_100010282707_100102629194 [0,2,0,0,0,0|0,0,2]=4 9783 B16R0.221 C/C=C/CSCCCCCCCCC(=O)OC 62a_100102629194_100010282707 [0,2,0,0,0,0|0,0,2]=4 9784 B16R0.221 C=C(C#N)CNCCCCCCCCCCC 2230a_200011215754_100000694840 [0,2,0,0,0,0|2,0,0]=4 9785 B16R0.221 C=C(C#N)CNCCCCCCCCCCC 34a_200011215754_100000694840 [0,2,0,0,0,0|2,0,0]=4 9786 B16R0.221 C=C(C#N)COCCCCCCCCCCC 34a_100000210809_100000694840 [0,2,0,0,0,0|2,0,0]=4 9787 B16R0.221 C=CC(=O)CCCCCCCCCCCCO 1458a_100000185746_100009813331 [0,2,0,0,0,0|1,0,0]=3 9788 B16R0.221 C=CC(=O)CCCCCCOCCCCCO 1458a_100000185746_200132310570 [0,2,0,0,0,0|2,0,0]=4 9789 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185746 [0,2,0,0,0,0|1,0,0]=3 9790 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_200121576911 [0,2,0,0,0,0|1,0,0]=3 9791 B16R0.221 C=CC(=O)NCCCCOCCCCCCC 34a_100014118770_100000210614 [0,2,0,0,0,0|2,0,0]=4 9792 B16R0.221 C=CC(=O)NCCNCCCCCCCCC 2230a_114873766552_100011214924 [0,2,0,0,0,0|2,0,0]=4 9793 B16R0.221 C=CC(=O)NCCOCCCCCCCCC 34a_100011304386_100011214924 [0,2,0,0,0,0|2,0,0]=4 9794 B16R0.221 C=CC(=O)OCCCCCCNCCCCC 2230a_100000209983_100009894100 [0,2,0,0,0,0|2,0,0]=4 9795 B16R0.221 C=CC(=O)OCCCCCCOCCCCC 34a_100000210253_100009894100 [0,2,0,0,0,0|2,0,0]=4 9796 B16R0.221 C=CC(=O)OCCCCCCOCCCCC 7a_100000210253_100009894100 [0,2,0,0,0,0|2,0,0]=4 9797 B16R0.221 C=CC(=O)OCCCCCCSCCCCC 62a_100000210326_100009894100 [0,2,0,0,0,0|2,0,0]=4 9798 B16R0.221 C=CC(=O)OCCCCCCSCCCCC 62a_100009894100_100000210326 [0,2,0,0,0,0|2,0,0]=4 9799 B16R0.221 C=CC(=O)OCCCCCOCCCCCC 7a_200011023508_100000210314 [0,2,0,0,0,0|2,0,0]=4 9800 B16R0.221 C=CC(=O)OCCNCCCCCCCCC 2230a_100000212291_100009813456 [0,2,0,0,0,0|2,0,0]=4 9801 B16R0.221 C=CC(=O)OCCNCCCCCCCCC 34a_100000212291_100009813456 [0,2,0,0,0,0|2,0,0]=4 9802 B16R0.221 C=CC(=O)OCCOCCCCCCCCC 34a_100000210712_100009813456 [0,2,0,0,0,0|2,0,0]=4 9803 B16R0.221 C=CC(=O)OCCOCCCCCCCCC 7a_100000210712_100009813456 [0,2,0,0,0,0|2,0,0]=4 9804 B16R0.221 C=CC(=O)OCCSCCCCCCCCC 62a_100009813456_100000210670 [0,2,0,0,0,0|2,0,0]=4 9805 B16R0.221 C=CC(O)CNCCCCCCCCCCC 2230a_200011215754_100000730141 [0,2,0,0,0,0|1,0,1]=4 9806 B16R0.221 C=CC(O)CNCCCCCCCCCCC 34a_200011215754_100000730141 [0,2,0,0,0,0|1,0,1]=4 9807 B16R0.221 C=CC(O)COCCCCCCCCCCC 34a_100000210809_100000730141 [0,2,0,0,0,0|1,0,1]=4 9808 B16R0.221 C=CC(O)COCCCCCCCCCCC 7a_100000210809_100000730141 [0,2,0,0,0,0|1,0,1]=4 9809 B16R0.221 C=CC(O)CSCCCCCCCCCCC 62a_100000730141_100011215454 [0,2,0,0,0,0|1,0,1]=4 9810 B16R0.221 C=CCCCCCCCCCCCC(=O)CO 1458a_100000210174_102130925996 [0,2,0,0,0,0|0,0,1]=3 9811 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 2230a_100000081888_100000747449 [0,2,0,0,0,0|0,0,2]=4 9812 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 34a_100000081888_100000747449 [0,2,0,0,0,0|0,0,2]=4 9813 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 34a_100000038209_100000747449 [0,2,0,0,0,0|0,0,2]=4 9814 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 7a_100000038209_100000747449 [0,2,0,0,0,0|0,0,2]=4 9815 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100000747449_100009814027 [0,2,0,0,0,0|0,0,2]=4 9816 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100009814027_100000747449 [0,2,0,0,0,0|0,0,2]=4 9817 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 34a_100011215194_100000742370 [0,2,0,0,0,0|0,0,2]=4 9818 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 7a_100011215194_100000204255 [0,2,0,0,0,0|0,0,2]=4 9819 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100000204255_100011933949 [0,2,0,0,0,0|0,0,2]=4 9820 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100011933949_100000204255 [0,2,0,0,0,0|0,0,2]=4 9821 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 34a_100000730831_100000742333 [0,2,0,0,0,0|0,0,2]=4 9822 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 7a_100000730831_100011218270 [0,2,0,0,0,0|0,0,2]=4 9823 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100011218270_100012355270 [0,2,0,0,0,0|0,0,2]=4 9824 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100012355270_100011218270 [0,2,0,0,0,0|0,0,2]=4 9825 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_100000059025_100011215473 [0,2,0,0,0,0|0,0,2]=4 9826 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_200011216477_100000204269 [0,2,0,0,0,0|0,0,2]=4 9827 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_100000059025_100011215473 [0,2,0,0,0,0|0,0,2]=4 9828 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_200011216477_100000204269 [0,2,0,0,0,0|0,0,2]=4 9829 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100000204269_100011215473 [0,2,0,0,0,0|0,0,2]=4 9830 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100011215473_100000204269 [0,2,0,0,0,0|0,0,2]=4 9831 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000700193 [0,2,0,0,0,0|0,0,2]=4 9832 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100011216702_100009816466 [0,2,0,0,0,0|0,0,2]=4 9833 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000700193 [0,2,0,0,0,0|0,0,2]=4 9834 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100011216702_100009816466 [0,2,0,0,0,0|0,0,2]=4 9835 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100000700193_100009816466 [0,2,0,0,0,0|0,0,2]=4 9836 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000700193 [0,2,0,0,0,0|0,0,2]=4 9837 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 2230a_100000703577_100009815986 [0,2,0,0,0,0|0,0,2]=4 9838 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 34a_100000703577_100009815986 [0,2,0,0,0,0|0,0,2]=4 9839 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100000766645_100009815986 [0,2,0,0,0,0|0,0,2]=4 9840 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100009863599_100011215482 [0,2,0,0,0,0|0,0,2]=4 9841 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100000766645_100009815986 [0,2,0,0,0,0|0,0,2]=4 9842 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100009863599_100011215482 [0,2,0,0,0,0|0,0,2]=4 9843 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100009815986_100011215482 [0,2,0,0,0,0|0,0,2]=4 9844 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100011215482_100009815986 [0,2,0,0,0,0|0,0,2]=4 9845 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 2230a_100000700776_100010004213 [0,2,0,0,0,0|0,0,2]=4 9846 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 34a_100000700776_100010004213 [0,2,0,0,0,0|0,0,2]=4 9847 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100000758997_100010004213 [0,2,0,0,0,0|0,0,2]=4 9848 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000757094 [0,2,0,0,0,0|0,0,2]=4 9849 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100000758997_100010004213 [0,2,0,0,0,0|0,0,2]=4 9850 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000757094 [0,2,0,0,0,0|0,0,2]=4 9851 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000757094 [0,2,0,0,0,0|0,0,2]=4 9852 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100011713584_100010004213 [0,2,0,0,0,0|0,0,2]=4 9853 B16R0.221 C=CCCNCCCCCCCCC(=O)OC 2230a_100015191253_100010282707 [0,2,0,0,0,0|0,0,2]=4 9854 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000754431 [0,2,0,0,0,0|0,0,2]=4 9855 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100011205117_100010282707 [0,2,0,0,0,0|0,0,2]=4 9856 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000754431 [0,2,0,0,0,0|0,0,2]=4 9857 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100000754431_100010282707 [0,2,0,0,0,0|0,0,2]=4 9858 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000754431 [0,2,0,0,0,0|0,0,2]=4 9859 B16R0.221 C=CCNCCCCCCCCCC(=O)OC 2230a_100020586998_100009813843 [0,2,0,0,0,0|0,0,2]=4 9860 B16R0.221 C=CCOCCCCCCCCCC(=O)OC 34a_200000210373_100009813843 [0,2,0,0,0,0|0,0,2]=4 9861 B16R0.221 C=CCSCCCCCCCCCC(=O)OC 62a_100000210623_100009813843 [0,2,0,0,0,0|0,0,2]=4 9862 B16R0.221 CC#CCCOCCCCCCCC(=O)OC 34a_100000750427_100010004213 [0,2,0,0,0,0|0,0,2]=4 9863 B16R0.221 CC#CCNCCCCCCCCC(=O)OC 2230a_100000685387_100010282707 [0,2,0,0,0,0|0,0,2]=4 9864 B16R0.221 CC#CCNCCCCCCCCC(=O)OC 34a_100000685387_100010282707 [0,2,0,0,0,0|0,0,2]=4 9865 B16R0.221 CC#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000748600 [0,2,0,0,0,0|0,0,2]=4 9866 B16R0.221 CC#CCOCCCCCCCCC(=O)OC 34a_100000761923_100010282707 [0,2,0,0,0,0|0,0,2]=4 9867 B16R0.221 CC#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000748600 [0,2,0,0,0,0|0,0,2]=4 9868 B16R0.221 CC#CCSCCCCCCCCC(=O)OC 62a_100000748600_100010282707 [0,2,0,0,0,0|0,0,2]=4 9869 B16R0.221 CC#CCSCCCCCCCCC(=O)OC 62a_100010282707_100000748600 [0,2,0,0,0,0|0,0,2]=4 9870 B16R0.221 CC/C=C/CCCOCCCCCC(=O)OC 34a_100016287902_100009816466 [0,2,0,0,0,0|0,0,2]=4 9871 B16R0.221 CC/C=C/CCCOCCCCCC(=O)OC 7a_100016287902_100009816466 [0,2,0,0,0,0|0,0,2]=4 9872 B16R0.221 CC/C=C\CCCCCOCCCC(=O)OC 34a_100016268722_100000742333 [0,2,0,0,0,0|0,0,2]=4 9873 B16R0.221 CC/C=C\CCCCCOCCCC(=O)OC 7a_100016268722_100011218270 [0,2,0,0,0,0|0,0,2]=4 9874 B16R0.221 CC/C=C\CCCCOCCCCC(=O)OC 34a_100016287862_100000204269 [0,2,0,0,0,0|0,0,2]=4 9875 B16R0.221 CC/C=C\CCCCOCCCCC(=O)OC 7a_100016287862_100000204269 [0,2,0,0,0,0|0,0,2]=4 9876 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 34a_100009863599_100015370543 [0,2,0,0,0,0|0,0,2]=4 9877 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 34a_100016288707_100009815986 [0,2,0,0,0,0|0,0,2]=4 9878 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 7a_100009863599_100015370543 [0,2,0,0,0,0|0,0,2]=4 9879 B16R0.221 CC/C=C\CCOCCCCCCC(=O)OC 7a_100016288707_100009815986 [0,2,0,0,0,0|0,0,2]=4 9880 B16R0.221 CC/C=C\CCSCCCCCCC(=O)OC 62a_100009815986_100015370543 [0,2,0,0,0,0|0,0,2]=4 9881 B16R0.221 CC/C=C\CCSCCCCCCC(=O)OC 62a_100015370543_100009815986 [0,2,0,0,0,0|0,0,2]=4 9882 B16R0.221 CC/C=C\COCCCCCCCC(=O)OC 34a_100011022521_100103147603 [0,2,0,0,0,0|0,0,2]=4 9883 B16R0.221 CC/C=C\COCCCCCCCC(=O)OC 34a_100016268518_100010004213 [0,2,0,0,0,0|0,0,2]=4 9884 B16R0.221 CC/C=C\COCCCCCCCC(=O)OC 7a_100011022521_100103147603 [0,2,0,0,0,0|0,0,2]=4 9885 B16R0.221 CC/C=C\CSCCCCCCCC(=O)OC 62a_100010004213_100103147603 [0,2,0,0,0,0|0,0,2]=4 9886 B16R0.221 CC/C=C\CSCCCCCCCC(=O)OC 62a_100103147603_100010004213 [0,2,0,0,0,0|0,0,2]=4 9887 B16R0.221 CC=CCCCOCCCCCCC(=O)OC 34a_100020645299_100009815986 [0,2,0,0,0,0|0,0,2]=4 9888 B16R0.221 CC=CCOCCCCCCCCC(=O)OC 34a_100000035544_100000070051 [0,2,0,0,0,0|0,0,2]=4 9889 B16R0.221 CC=CCOCCCCCCCCC(=O)OC 7a_100000035544_100000070051 [0,2,0,0,0,0|0,0,2]=4 9890 B16R0.221 CC=CCSCCCCCCCCC(=O)OC 62a_100000070051_100010282707 [0,2,0,0,0,0|0,0,2]=4 9891 B16R0.221 CC=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000070051 [0,2,0,0,0,0|0,0,2]=4 9892 B16R0.221 CCC#CCCCCCCSCCC(=O)OC 62a_100000204255_200000036426 [0,2,0,0,0,0|0,0,2]=4 9893 B16R0.221 CCC#CCCCCCCSCCC(=O)OC 62a_200000036426_100000204255 [0,2,0,0,0,0|0,0,2]=4 9894 B16R0.221 CCC#CCCOCCCCCCC(=O)OC 34a_100000036655_100009815986 [0,2,0,0,0,0|0,0,2]=4 9895 B16R0.221 CCC#CCCOCCCCCCC(=O)OC 7a_100000036655_100009815986 [0,2,0,0,0,0|0,0,2]=4 9896 B16R0.221 CCC#CCOCCCCCCCC(=O)OC 34a_100000032950_100010004213 [0,2,0,0,0,0|0,0,2]=4 9897 B16R0.221 CCC#CCOCCCCCCCC(=O)OC 34a_100011022521_100009813939 [0,2,0,0,0,0|0,0,2]=4 9898 B16R0.221 CCC#CCOCCCCCCCC(=O)OC 7a_100011022521_100009813939 [0,2,0,0,0,0|0,0,2]=4 9899 B16R0.221 CCC#CCSCCCCCCCC(=O)OC 62a_100009813939_100010004213 [0,2,0,0,0,0|0,0,2]=4 9900 B16R0.221 CCC#CCSCCCCCCCC(=O)OC 62a_100010004213_100009813939 [0,2,0,0,0,0|0,0,2]=4 9901 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [0,2,0,0,0,0|1,0,0]=3 9902 B16R0.221 CCC(=O)CCCCCCOCCCCCO 1458a_100000210414_200132310570 [0,2,0,0,0,0|2,0,0]=4 9903 B16R0.221 CCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747405 [0,2,0,0,0,0|2,0,0]=4 9904 B16R0.221 CCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747405 [0,2,0,0,0,0|2,0,0]=4 9905 B16R0.221 CCC(=O)COCCCCCCCCCCO 34a_100000725409_100009813290 [0,2,0,0,0,0|2,0,0]=4 9906 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100000747405_200000033068 [0,2,0,0,0,0|2,0,0]=4 9907 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747405 [0,2,0,0,0,0|2,0,0]=4 9908 B16R0.221 CCC/C=C/COCCCCCCC(=O)OC 34a_100016278788_100009815986 [0,2,0,0,0,0|0,0,2]=4 9909 B16R0.221 CCC/C=C/COCCCCCCC(=O)OC 7a_100016278788_100009815986 [0,2,0,0,0,0|0,0,2]=4 9910 B16R0.221 CCCC#CCCOCCCCCC(=O)OC 34a_100000042726_100009816466 [0,2,0,0,0,0|0,0,2]=4 9911 B16R0.221 CCCC#CCCOCCCCCC(=O)OC 7a_100000042726_100009816466 [0,2,0,0,0,0|0,0,2]=4 9912 B16R0.221 CCCC#CCOCCCCCCC(=O)OC 34a_100000034806_100009815986 [0,2,0,0,0,0|0,0,2]=4 9913 B16R0.221 CCCC#CCOCCCCCCC(=O)OC 7a_100000034806_100009815986 [0,2,0,0,0,0|0,0,2]=4 9914 B16R0.221 CCCC/C=C/CCCCOCCC(=O)OC 34a_200020645093_100000742370 [0,2,0,0,0,0|0,0,2]=4 9915 B16R0.221 CCCC/C=C/CCCCOCCC(=O)OC 7a_200020645093_100000204255 [0,2,0,0,0,0|0,0,2]=4 9916 B16R0.221 CCCC/C=C/COCCCCCC(=O)OC 34a_200016272032_100009816466 [0,2,0,0,0,0|0,0,2]=4 9917 B16R0.221 CCCC/C=C/COCCCCCC(=O)OC 7a_200016272032_100009816466 [0,2,0,0,0,0|0,0,2]=4 9918 B16R0.221 CCCC/C=C\CCOCCCCC(=O)OC 34a_200016286491_100000204269 [0,2,0,0,0,0|0,0,2]=4 9919 B16R0.221 CCCC/C=C\CCOCCCCC(=O)OC 7a_200016286491_100000204269 [0,2,0,0,0,0|0,0,2]=4 9920 B16R0.221 CCCCC#CCCCCOCCC(=O)OC 34a_200000066234_100000742370 [0,2,0,0,0,0|0,0,2]=4 9921 B16R0.221 CCCCC#CCCCCOCCC(=O)OC 7a_200000066234_100000204255 [0,2,0,0,0,0|0,0,2]=4 9922 B16R0.221 CCCCC#CCCCSCCCC(=O)OC 62a_100011218270_200000047210 [0,2,0,0,0,0|0,0,2]=4 9923 B16R0.221 CCCCC#CCCCSCCCC(=O)OC 62a_200000047210_100011218270 [0,2,0,0,0,0|0,0,2]=4 9924 B16R0.221 CCCCC#CCCOCCCCC(=O)OC 34a_100000037610_100000204269 [0,2,0,0,0,0|0,0,2]=4 9925 B16R0.221 CCCCC#CCCOCCCCC(=O)OC 7a_100000037610_100000204269 [0,2,0,0,0,0|0,0,2]=4 9926 B16R0.221 CCCCC#CCOCCCCCC(=O)OC 34a_200000034558_100009816466 [0,2,0,0,0,0|0,0,2]=4 9927 B16R0.221 CCCCC#CCOCCCCCC(=O)OC 7a_200000034558_100009816466 [0,2,0,0,0,0|0,0,2]=4 9928 B16R0.221 CCCCC/C=C/COCCCCC(=O)OC 34a_100016258190_100000204269 [0,2,0,0,0,0|0,0,2]=4 9929 B16R0.221 CCCCC/C=C/COCCCCC(=O)OC 7a_100016258190_100000204269 [0,2,0,0,0,0|0,0,2]=4 9930 B16R0.221 CCCCC/C=C\CCCOCCC(=O)OC 34a_100020655193_100000742370 [0,2,0,0,0,0|0,0,2]=4 9931 B16R0.221 CCCCC/C=C\CCCOCCC(=O)OC 7a_100020655193_100000204255 [0,2,0,0,0,0|0,0,2]=4 9932 B16R0.221 CCCCC/C=C\CCOCCCC(=O)OC 34a_100016277358_100000742333 [0,2,0,0,0,0|0,0,2]=4 9933 B16R0.221 CCCCC/C=C\CCOCCCC(=O)OC 7a_100016277358_100011218270 [0,2,0,0,0,0|0,0,2]=4 9934 B16R0.221 CCCCCC#CCCOCCCC(=O)OC 34a_200000042877_100000742333 [0,2,0,0,0,0|0,0,2]=4 9935 B16R0.221 CCCCCC#CCCOCCCC(=O)OC 7a_200000042877_100011218270 [0,2,0,0,0,0|0,0,2]=4 9936 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 34a_100000059025_100009816472 [0,2,0,0,0,0|0,0,2]=4 9937 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 34a_200000033628_100000204269 [0,2,0,0,0,0|0,0,2]=4 9938 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 7a_100000059025_100009816472 [0,2,0,0,0,0|0,0,2]=4 9939 B16R0.221 CCCCCC#CCOCCCCC(=O)OC 7a_200000033628_100000204269 [0,2,0,0,0,0|0,0,2]=4 9940 B16R0.221 CCCCCC#CCSCCCCC(=O)OC 62a_100000204269_100009816472 [0,2,0,0,0,0|0,0,2]=4 9941 B16R0.221 CCCCCC#CCSCCCCC(=O)OC 62a_100009816472_100000204269 [0,2,0,0,0,0|0,0,2]=4 9942 B16R0.221 CCCCCC/C=C/COCCCC(=O)OC 34a_200016276170_100000742333 [0,2,0,0,0,0|0,0,2]=4 9943 B16R0.221 CCCCCC/C=C/COCCCC(=O)OC 7a_200016276170_100011218270 [0,2,0,0,0,0|0,0,2]=4 9944 B16R0.221 CCCCCCC#CCCOCCC(=O)OC 34a_200000033163_100000742370 [0,2,0,0,0,0|0,0,2]=4 9945 B16R0.221 CCCCCCC#CCCOCCC(=O)OC 7a_200000033163_100000204255 [0,2,0,0,0,0|0,0,2]=4 9946 B16R0.221 CCCCCCC#CCOCCCC(=O)OC 34a_200000037284_100000742333 [0,2,0,0,0,0|0,0,2]=4 9947 B16R0.221 CCCCCCC#CCOCCCC(=O)OC 7a_200000037284_100011218270 [0,2,0,0,0,0|0,0,2]=4 9948 B16R0.221 CCCCCCCC#CCOCCC(=O)OC 34a_200000061759_100000742370 [0,2,0,0,0,0|0,0,2]=4 9949 B16R0.221 CCCCCCCC#CCOCCC(=O)OC 7a_200000061759_100000204255 [0,2,0,0,0,0|0,0,2]=4 9950 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 34a_200020667288_100000747449 [0,2,0,0,0,0|0,0,2]=4 9951 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 7a_200020667288_100000747449 [0,2,0,0,0,0|0,0,2]=4 9952 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [0,2,0,0,0,0|0,0,0]=2 9953 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [0,2,0,0,0,0|1,0,0]=3 9954 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [0,2,0,0,0,0|1,0,0]=3 9955 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [0,2,0,0,0,0|1,0,0]=3 9956 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [0,2,0,0,0,0|1,0,0]=3 9957 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [0,2,0,0,0,0|1,0,0]=3 9958 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [0,2,0,0,0,0|1,0,0]=3 9959 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [0,2,0,0,0,0|1,0,0]=3 9960 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [0,2,0,0,0,0|0,0,0]=2 9961 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [0,2,0,0,0,0|0,0,0]=2 9962 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100000210451_106832991635 [0,2,0,0,0,0|1,0,0]=3 9963 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100000210451 [0,2,0,0,0,0|1,0,0]=3 9964 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100000210451_100102657272 [0,2,0,0,0,0|1,0,0]=3 9965 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100000210451 [0,2,0,0,0,0|1,0,0]=3 9966 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_100000210451_100102657272 [0,2,0,0,0,0|1,0,0]=3 9967 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_106832991638_100000210451 [0,2,0,0,0,0|1,0,0]=3 9968 B16R0.221 CCCCCCCCCCCCNC(C)CO 2230a_100000210451_100012180447 [0,2,0,0,0,0|1,0,1]=4 9969 B16R0.221 CCCCCCCCCCCCNC(C)CO 34a_100000210451_100012180447 [0,2,0,0,0,0|1,0,1]=4 9970 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215052 [0,2,0,0,0,0|1,0,1]=4 9971 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_100011218549 [0,2,0,0,0,0|1,0,1]=4 9972 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [0,2,0,0,0,0|1,0,1]=4 9973 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [0,2,0,0,0,0|1,0,1]=4 9974 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215454 [0,2,0,0,0,0|1,0,0]=3 9975 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_200011215754_100000183359 [0,2,0,0,0,0|1,0,0]=3 9976 B16R0.221 CCCCCCCCCCCNCC(=O)NC 34a_200011215754_100000183359 [0,2,0,0,0,0|1,0,0]=3 9977 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [0,2,0,0,0,0|0,0,0]=2 9978 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [0,2,0,0,0,0|0,0,0]=2 9979 B16R0.221 CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011215454 [0,2,0,0,0,0|1,0,1]=4 9980 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215454 [0,2,0,0,0,0|1,0,1]=4 9981 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_200011215754_100011218378 [0,2,0,0,0,0|1,0,1]=4 9982 B16R0.221 CCCCCCCCCCCNCC(O)CC 34a_200011215754_100011218378 [0,2,0,0,0,0|1,0,1]=4 9983 B16R0.221 CCCCCCCCCCCNCC(O)CO 2230a_200011215754_100011219619 [0,2,0,0,0,0|0,0,2]=4 9984 B16R0.221 CCCCCCCCCCCNCC(O)CO 34a_200011215754_100011219619 [0,2,0,0,0,0|0,0,2]=4 9985 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 2230a_200011215754_100000059175 [0,2,0,0,0,0|1,0,1]=4 9986 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 34a_200011215754_100000059175 [0,2,0,0,0,0|1,0,1]=4 9987 B16R0.221 CCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215454 [0,2,0,0,0,0|1,0,1]=4 9988 B16R0.221 CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215454 [0,2,0,0,0,0|1,0,1]=4 9989 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 2230a_200011215754_100015614560 [0,2,0,0,0,0|1,0,1]=4 9990 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 34a_200011215754_100015614560 [0,2,0,0,0,0|1,0,1]=4 9991 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 2230a_200011215754_100009815848 [0,2,0,0,0,0|0,0,2]=4 9992 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 34a_200011215754_100009815848 [0,2,0,0,0,0|0,0,2]=4 9993 B16R0.221 CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215454 [0,2,0,0,0,0|0,0,2]=4 9994 B16R0.221 CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011215454 [0,2,0,0,0,0|1,0,0]=3 9995 B16R0.221 CCCCCCCCCCCOCC(=O)CC 7a_100000210809_100000747405 [0,2,0,0,0,0|1,0,0]=3 9996 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000210809_100000183359 [0,2,0,0,0,0|1,0,0]=3 9997 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000750040_100011215454 [0,2,0,0,0,0|1,0,0]=3 9998 B16R0.221 CCCCCCCCCCCOCC(=O)NC 7a_100000210809_100000183359 [0,2,0,0,0,0|1,0,0]=3 9999 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [0,2,0,0,0,0|0,0,0]=2 10000 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [0,2,0,0,0,0|0,0,0]=2 10001 B16R0.221 CCCCCCCCCCCOCC(C)OC 34a_100000690652_100011215454 [0,2,0,0,0,0|1,0,1]=4 10002 B16R0.221 CCCCCCCCCCCOCC(O)CC 34a_100000210809_100011218378 [0,2,0,0,0,0|1,0,1]=4 10003 B16R0.221 CCCCCCCCCCCOCC(O)CC 7a_100000210809_100011218378 [0,2,0,0,0,0|1,0,1]=4 10004 B16R0.221 CCCCCCCCCCCOCC(O)CO 34a_100000210809_100011219619 [0,2,0,0,0,0|0,0,2]=4 10005 B16R0.221 CCCCCCCCCCCOCC(O)CO 7a_100000210809_100011219619 [0,2,0,0,0,0|0,0,2]=4 10006 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 34a_100000210809_100000059175 [0,2,0,0,0,0|1,0,1]=4 10007 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 7a_100000210809_100000059175 [0,2,0,0,0,0|1,0,1]=4 10008 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 34a_100000210809_100015614560 [0,2,0,0,0,0|1,0,1]=4 10009 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 7a_100000210809_100015614560 [0,2,0,0,0,0|1,0,1]=4 10010 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 34a_100000210809_100009815848 [0,2,0,0,0,0|0,0,2]=4 10011 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 7a_100000210809_100009815848 [0,2,0,0,0,0|0,0,2]=4 10012 B16R0.221 CCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011215454 [0,2,0,0,0,0|1,0,0]=3 10013 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [0,2,0,0,0,0|0,0,0]=2 10014 B16R0.221 CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011215454 [0,2,0,0,0,0|0,0,2]=4 10015 B16R0.221 CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215454 [0,2,0,0,0,0|1,0,1]=4 10016 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215454 [0,2,0,0,0,0|1,0,1]=4 10017 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215454 [0,2,0,0,0,0|0,0,2]=4 10018 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [0,2,0,0,0,0|1,0,0]=3 10019 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [0,2,0,0,0,0|1,0,0]=3 10020 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [0,2,0,0,0,0|1,0,0]=3 10021 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [0,2,0,0,0,0|1,0,0]=3 10022 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [0,2,0,0,0,0|0,0,0]=2 10023 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [0,2,0,0,0,0|0,0,0]=2 10024 B16R0.221 CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100000210320 [0,2,0,0,0,0|1,0,1]=4 10025 B16R0.221 CCCCCCCCCCNCCC(C)CO 34a_106354213184_100000210320 [0,2,0,0,0,0|1,0,1]=4 10026 B16R0.221 CCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000210320 [0,2,0,0,0,0|1,0,0]=3 10027 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [0,2,0,0,0,0|1,0,0]=3 10028 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [0,2,0,0,0,0|1,0,0]=3 10029 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [0,2,0,0,0,0|1,0,0]=3 10030 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [0,2,0,0,0,0|0,0,0]=2 10031 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [0,2,0,0,0,0|0,0,0]=2 10032 B16R0.221 CCCCCCCCCCOCCC(C)OC 7a_100000764861_100000210320 [0,2,0,0,0,0|1,0,1]=4 10033 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [0,2,0,0,0,0|1,0,0]=3 10034 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [0,2,0,0,0,0|0,0,0]=2 10035 B16R0.221 CCCCCCCCCNC/C=C/C(=O)OC 2230a_100000212291_100000742655 [0,2,0,0,0,0|0,0,2]=4 10036 B16R0.221 CCCCCCCCCNC/C=C/C(=O)OC 34a_100000212291_100000742655 [0,2,0,0,0,0|0,0,2]=4 10037 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [0,2,0,0,0,0|1,0,0]=3 10038 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [0,2,0,0,0,0|1,0,0]=3 10039 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [0,2,0,0,0,0|1,0,0]=3 10040 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [0,2,0,0,0,0|1,0,0]=3 10041 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [0,2,0,0,0,0|0,0,0]=2 10042 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [0,2,0,0,0,0|0,0,0]=2 10043 B16R0.221 CCCCCCCCCNCCNC(=O)CC 34a_100132302217_100011214924 [0,2,0,0,0,0|2,0,0]=4 10044 B16R0.221 CCCCCCCCCNCCNC(=O)NC 34a_100015205895_100011214924 [0,2,0,0,0,0|2,0,0]=4 10045 B16R0.221 CCCCCCCCCNCCOC(=O)NC 34a_100000212291_200011997002 [0,2,0,0,0,0|2,0,0]=4 10046 B16R0.221 CCCCCCCCCOC/C=C/C(=O)OC 34a_100000210712_100000742655 [0,2,0,0,0,0|0,0,2]=4 10047 B16R0.221 CCCCCCCCCOC/C=C/C(=O)OC 7a_100000210712_100000742655 [0,2,0,0,0,0|0,0,2]=4 10048 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [0,2,0,0,0,0|1,0,0]=3 10049 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [0,2,0,0,0,0|1,0,0]=3 10050 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [0,2,0,0,0,0|1,0,0]=3 10051 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [0,2,0,0,0,0|0,0,0]=2 10052 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [0,2,0,0,0,0|0,0,0]=2 10053 B16R0.221 CCCCCCCCCOCCNC(=O)CC 34a_200000158885_100011214924 [0,2,0,0,0,0|2,0,0]=4 10054 B16R0.221 CCCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210328 [0,2,0,0,0,0|2,0,0]=4 10055 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [0,2,0,0,0,0|1,0,0]=3 10056 B16R0.221 CCCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210328 [0,2,0,0,0,0|2,0,0]=4 10057 B16R0.221 CCCCCCCCCOCCOC(=O)NC 34a_100000210712_200011997002 [0,2,0,0,0,0|2,0,0]=4 10058 B16R0.221 CCCCCCCCCOCCOC(=O)NC 7a_100000210712_200011997002 [0,2,0,0,0,0|2,0,0]=4 10059 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [0,2,0,0,0,0|1,0,0]=3 10060 B16R0.221 CCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210670 [0,2,0,0,0,0|0,0,2]=4 10061 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [0,2,0,0,0,0|1,0,0]=3 10062 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [0,2,0,0,0,0|0,0,0]=2 10063 B16R0.221 CCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210670 [0,2,0,0,0,0|2,0,0]=4 10064 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [0,2,0,0,0,0|0,0,0]=2 10065 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [0,2,0,0,0,0|0,0,0]=2 10066 B16R0.221 CCCCCCCCNCCOCC(=O)OC 2230a_100000229939_100000090808 [0,2,0,0,0,0|1,0,0]=3 10067 B16R0.221 CCCCCCCCNCCOCC(=O)OC 34a_100000229939_100000090808 [0,2,0,0,0,0|1,0,0]=3 10068 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [0,2,0,0,0,0|0,0,0]=2 10069 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [0,2,0,0,0,0|0,0,0]=2 10070 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [0,2,0,0,0,0|0,0,0]=2 10071 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [0,2,0,0,0,0|0,0,0]=2 10072 B16R0.221 CCCCCCCCOCCOCC(=O)OC 34a_100000210232_100000090808 [0,2,0,0,0,0|1,0,0]=3 10073 B16R0.221 CCCCCCCCOCCOCC(=O)OC 7a_100000210232_100000090808 [0,2,0,0,0,0|1,0,0]=3 10074 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [0,2,0,0,0,0|0,0,0]=2 10075 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [0,2,0,0,0,0|0,0,0]=2 10076 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210317 [0,2,0,0,0,0|1,0,0]=3 10077 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000210759_100000090808 [0,2,0,0,0,0|1,0,0]=3 10078 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [0,2,0,0,0,0|0,0,0]=2 10079 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [0,2,0,0,0,0|0,0,0]=2 10080 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [0,2,0,0,0,0|0,0,0]=2 10081 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [0,2,0,0,0,0|0,0,0]=2 10082 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [0,2,0,0,0,0|0,0,0]=2 10083 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [0,2,0,0,0,0|0,0,0]=2 10084 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [0,2,0,0,0,0|0,0,0]=2 10085 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [0,2,0,0,0,0|0,0,0]=2 10086 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [0,2,0,0,0,0|0,0,0]=2 10087 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [0,2,0,0,0,0|0,0,0]=2 10088 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [0,2,0,0,0,0|0,0,0]=2 10089 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [0,2,0,0,0,0|0,0,0]=2 10090 B16R0.221 CCCCCCOCCOCCCC(=O)NC 34a_100000691444_100000741757 [0,2,0,0,0,0|2,0,0]=4 10091 B16R0.221 CCCCCCOCCOCCCC(=O)NC 7a_100000691444_100000741757 [0,2,0,0,0,0|2,0,0]=4 10092 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [0,2,0,0,0,0|1,0,0]=3 10093 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [0,2,0,0,0,0|1,0,0]=3 10094 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [0,2,0,0,0,0|0,0,0]=2 10095 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [0,2,0,0,0,0|0,0,0]=2 10096 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [0,2,0,0,0,0|0,0,0]=2 10097 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [0,2,0,0,0,0|1,0,0]=3 10098 B16R0.221 CCCCCNCCOCCOCC(=O)OC 34a_100000224656_100000090808 [0,2,0,0,0,0|2,0,0]=4 10099 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [0,2,0,0,0,0|0,0,0]=2 10100 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [0,2,0,0,0,0|0,0,0]=2 10101 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [0,2,0,0,0,0|0,0,0]=2 10102 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [0,2,0,0,0,0|0,0,0]=2 10103 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [0,2,0,0,0,0|1,0,0]=3 10104 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [0,2,0,0,0,0|1,0,0]=3 10105 B16R0.221 CCCCCOCCOCCOCC(=O)OC 34a_100011023656_100000718602 [0,2,0,0,0,0|2,0,0]=4 10106 B16R0.221 CCCCCOCCOCCOCC(=O)OC 34a_100011215259_100000090808 [0,2,0,0,0,0|2,0,0]=4 10107 B16R0.221 CCCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210326 [0,2,0,0,0,0|2,0,0]=4 10108 B16R0.221 CCCCCOCCOCCOCC(=O)OC 7a_100011215259_100000090808 [0,2,0,0,0,0|2,0,0]=4 10109 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [0,2,0,0,0,0|0,0,0]=2 10110 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [0,2,0,0,0,0|0,0,0]=2 10111 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [0,2,0,0,0,0|0,0,0]=2 10112 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [0,2,0,0,0,0|0,0,0]=2 10113 B16R0.221 CCCCNCCCCOCCCC(=O)NC 34a_200011216965_100000741757 [0,2,0,0,0,0|2,0,0]=4 10114 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [0,2,0,0,0,0|1,0,0]=3 10115 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [0,2,0,0,0,0|0,0,0]=2 10116 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [0,2,0,0,0,0|0,0,0]=2 10117 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [0,2,0,0,0,0|0,0,0]=2 10118 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [0,2,0,0,0,0|0,0,0]=2 10119 B16R0.221 CCCCOCCCCOCCCC(=O)NC 34a_200000760531_100000741757 [0,2,0,0,0,0|2,0,0]=4 10120 B16R0.221 CCCCOCCCCOCCCC(=O)NC 7a_200000760531_100000741757 [0,2,0,0,0,0|2,0,0]=4 10121 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [0,2,0,0,0,0|1,0,0]=3 10122 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [0,2,0,0,0,0|1,0,0]=3 10123 B16R0.221 CCCCOCCCNCCCCC(=O)OC 2230a_200000211371_100000204269 [0,2,0,0,0,0|1,0,0]=3 10124 B16R0.221 CCCCOCCCNCCCCC(=O)OC 34a_200000211371_100000204269 [0,2,0,0,0,0|1,0,0]=3 10125 B16R0.221 CCCCOCCCNCCOCC(=O)OC 2230a_200000211371_100000090808 [0,2,0,0,0,0|2,0,0]=4 10126 B16R0.221 CCCCOCCCNCCOCC(=O)OC 34a_200000211371_100000090808 [0,2,0,0,0,0|2,0,0]=4 10127 B16R0.221 CCCCOCCCOCCCCC(=O)OC 34a_200011215613_100000204269 [0,2,0,0,0,0|1,0,0]=3 10128 B16R0.221 CCCCOCCCOCCCCC(=O)OC 7a_200011215613_100000204269 [0,2,0,0,0,0|1,0,0]=3 10129 B16R0.221 CCCCOCCCOCCOCC(=O)OC 34a_200011215613_100000090808 [0,2,0,0,0,0|2,0,0]=4 10130 B16R0.221 CCCCOCCCOCCOCC(=O)OC 7a_200011215613_100000090808 [0,2,0,0,0,0|2,0,0]=4 10131 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000074720_100000743108 [0,2,0,0,0,0|1,0,0]=3 10132 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000210238_100009816466 [0,2,0,0,0,0|1,0,0]=3 10133 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000074720_100000743108 [0,2,0,0,0,0|1,0,0]=3 10134 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000210238_100009816466 [0,2,0,0,0,0|1,0,0]=3 10135 B16R0.221 CCCCOCCOCCOCCC(=O)OC 34a_100010982084_100000210210 [0,2,0,0,0,0|2,0,0]=4 10136 B16R0.221 CCCCOCCOCCOCCC(=O)OC 34a_100011215186_100000742370 [0,2,0,0,0,0|2,0,0]=4 10137 B16R0.221 CCCCOCCOCCOCCC(=O)OC 7a_100010982084_100000210211 [0,2,0,0,0,0|2,0,0]=4 10138 B16R0.221 CCCCOCCOCCOCCC(=O)OC 7a_100011215186_100000204255 [0,2,0,0,0,0|2,0,0]=4 10139 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100000743108_100009816466 [0,2,0,0,0,0|1,0,0]=3 10140 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100009816466_100000743108 [0,2,0,0,0,0|1,0,0]=3 10141 B16R0.221 CCCCOCOCCCCCCC(=O)OC 34a_100009863599_100011995733 [0,2,0,0,0,0|1,0,0]=3 10142 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100009815986_100011995733 [0,2,0,0,0,0|1,0,0]=3 10143 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100011995733_100009815986 [0,2,0,0,0,0|1,0,0]=3 10144 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [0,2,0,0,0,0|0,0,0]=2 10145 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [0,2,0,0,0,0|0,0,0]=2 10146 B16R0.221 CCCCSCCNCCCCCC(=O)OC 2230a_100025743550_100009816466 [0,2,0,0,0,0|1,0,0]=3 10147 B16R0.221 CCCCSCCOCCCCCC(=O)OC 34a_200000230436_100009816466 [0,2,0,0,0,0|1,0,0]=3 10148 B16R0.221 CCCCSCCOCCCCCC(=O)OC 7a_200000230436_100009816466 [0,2,0,0,0,0|1,0,0]=3 10149 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [0,2,0,0,0,0|0,0,0]=2 10150 B16R0.221 CCCOCCCNCCCCCC(=O)OC 2230a_100011217757_100009816466 [0,2,0,0,0,0|1,0,0]=3 10151 B16R0.221 CCCOCCCNCCCCCC(=O)OC 34a_100011217757_100009816466 [0,2,0,0,0,0|1,0,0]=3 10152 B16R0.221 CCCOCCNCCCCCCC(=O)OC 2230a_100161115042_100009815986 [0,2,0,0,0,0|1,0,0]=3 10153 B16R0.221 CCCOCCNCCCCCCC(=O)OC 34a_100161115042_100009815986 [0,2,0,0,0,0|1,0,0]=3 10154 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100000752267_100009815986 [0,2,0,0,0,0|1,0,0]=3 10155 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100009863599_100011215938 [0,2,0,0,0,0|1,0,0]=3 10156 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100000752267_100009815986 [0,2,0,0,0,0|1,0,0]=3 10157 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215938 [0,2,0,0,0,0|1,0,0]=3 10158 B16R0.221 CCCOCCOCCNCCCC(=O)OC 2230a_200011904461_100011218270 [0,2,0,0,0,0|2,0,0]=4 10159 B16R0.221 CCCOCCOCCNCCCC(=O)OC 34a_200011904461_100000742333 [0,2,0,0,0,0|2,0,0]=4 10160 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215938 [0,2,0,0,0,0|1,0,0]=3 10161 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100011215938_100009815986 [0,2,0,0,0,0|1,0,0]=3 10162 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [0,2,0,0,0,0|0,0,0]=2 10163 B16R0.221 CCCSCCNCCCCCCC(=O)OC 2230a_100020603323_100009815986 [0,2,0,0,0,0|1,0,0]=3 10164 B16R0.221 CCCSCCOCCCCCCC(=O)OC 34a_200000230433_100009815986 [0,2,0,0,0,0|1,0,0]=3 10165 B16R0.221 CCCSCCOCCCCCCC(=O)OC 7a_200000230433_100009815986 [0,2,0,0,0,0|1,0,0]=3 10166 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [0,2,0,0,0,0|0,0,0]=2 10167 B16R0.221 CCNN=CCCCCCCCCC(=O)OC 4a_100000756455_200010166605 [0,2,0,0,0,0|1,0,1]=4 10168 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [0,2,0,0,0,0|0,0,0]=2 10169 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [0,2,0,0,0,0|0,0,0]=2 10170 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [0,2,0,0,0,0|0,0,0]=2 10171 B16R0.221 CCOCCCNCCCCCCC(=O)OC 2230a_100000210961_100009815986 [0,2,0,0,0,0|1,0,0]=3 10172 B16R0.221 CCOCCCNCCCCCCC(=O)OC 34a_100000210961_100009815986 [0,2,0,0,0,0|1,0,0]=3 10173 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100000757476_100009815986 [0,2,0,0,0,0|1,0,0]=3 10174 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100009863599_100012232248 [0,2,0,0,0,0|1,0,0]=3 10175 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100000757476_100009815986 [0,2,0,0,0,0|1,0,0]=3 10176 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100009863599_100012232248 [0,2,0,0,0,0|1,0,0]=3 10177 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100009815986_100012232248 [0,2,0,0,0,0|1,0,0]=3 10178 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100012232248_100009815986 [0,2,0,0,0,0|1,0,0]=3 10179 B16R0.221 CCOCCNCCCCCCCC(=O)OC 2230a_102516460346_100010004213 [0,2,0,0,0,0|1,0,0]=3 10180 B16R0.221 CCOCCNCCCCCCCC(=O)OC 34a_102516460346_100010004213 [0,2,0,0,0,0|1,0,0]=3 10181 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100000210136_100010004213 [0,2,0,0,0,0|1,0,0]=3 10182 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000210147 [0,2,0,0,0,0|1,0,0]=3 10183 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100000210136_100010004213 [0,2,0,0,0,0|1,0,0]=3 10184 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215890 [0,2,0,0,0,0|1,0,0]=3 10185 B16R0.221 CCOCCOCCNCCCCC(=O)OC 2230a_100102712874_100000204269 [0,2,0,0,0,0|2,0,0]=4 10186 B16R0.221 CCOCCOCCNCCCCC(=O)OC 34a_100102712874_100000204269 [0,2,0,0,0,0|2,0,0]=4 10187 B16R0.221 CCOCCOCCOCCCCC(=O)OC 34a_100000059025_100011211534 [0,2,0,0,0,0|2,0,0]=4 10188 B16R0.221 CCOCCOCCOCCCCC(=O)OC 34a_100000210240_100000204269 [0,2,0,0,0,0|2,0,0]=4 10189 B16R0.221 CCOCCOCCOCCCCC(=O)OC 7a_100000059025_100011211534 [0,2,0,0,0,0|2,0,0]=4 10190 B16R0.221 CCOCCOCCOCCCCC(=O)OC 7a_100000210240_100000204269 [0,2,0,0,0,0|2,0,0]=4 10191 B16R0.221 CCOCCOCCSCCCCC(=O)OC 62a_100000204269_100011211534 [0,2,0,0,0,0|2,0,0]=4 10192 B16R0.221 CCOCCOCCSCCCCC(=O)OC 62a_100011211534_100000204269 [0,2,0,0,0,0|2,0,0]=4 10193 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100000210147_100010004213 [0,2,0,0,0,0|1,0,0]=3 10194 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215890 [0,2,0,0,0,0|1,0,0]=3 10195 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100000739092_100010282707 [0,2,0,0,0,0|1,0,0]=3 10196 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100010282707_100000739092 [0,2,0,0,0,0|1,0,0]=3 10197 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [0,2,0,0,0,0|0,0,0]=2 10198 B16R0.221 CCSCCCOCCCCCCC(=O)OC 34a_100011216438_100009815986 [0,2,0,0,0,0|1,0,0]=3 10199 B16R0.221 CCSCCCOCCCCCCC(=O)OC 7a_100011216438_100009815986 [0,2,0,0,0,0|1,0,0]=3 10200 B16R0.221 CCSCCNCCCCCCCC(=O)OC 2230a_100000106463_100010004213 [0,2,0,0,0,0|1,0,0]=3 10201 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100000212035_100010004213 [0,2,0,0,0,0|1,0,0]=3 10202 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100011022521_100000757381 [0,2,0,0,0,0|1,0,0]=3 10203 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100000212035_100010004213 [0,2,0,0,0,0|1,0,0]=3 10204 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100011022521_100000757381 [0,2,0,0,0,0|1,0,0]=3 10205 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100000757381_100010004213 [0,2,0,0,0,0|1,0,0]=3 10206 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100010004213_100000757381 [0,2,0,0,0,0|1,0,0]=3 10207 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [0,2,0,0,0,0|1,0,0]=3 10208 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_100000740002_100000033203 [0,2,0,0,0,0|2,0,0]=4 10209 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 10210 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_100000740002_100000033203 [0,2,0,0,0,0|2,0,0]=4 10211 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 10212 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000741757 [0,2,0,0,0,0|2,0,0]=4 10213 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 7a_100009813846_100000741757 [0,2,0,0,0,0|2,0,0]=4 10214 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000741757 [0,2,0,0,0,0|2,0,0]=4 10215 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 7a_100000033203_100000741757 [0,2,0,0,0,0|2,0,0]=4 10216 B16R0.221 CNC(=O)CCCOCCCCCCCCN 34a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 10217 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000033203_100000741757 [0,2,0,0,0,0|2,0,0]=4 10218 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000741757_100000033203 [0,2,0,0,0,0|2,0,0]=4 10219 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000737683 [0,2,0,0,0,0|2,0,0]=4 10220 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000738227_100009813782 [0,2,0,0,0,0|2,0,0]=4 10221 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000078944_100012179268 [0,2,0,0,0,0|2,0,0]=4 10222 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000738227_100009813782 [0,2,0,0,0,0|2,0,0]=4 10223 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 34a_100009813782_100012179268 [0,2,0,0,0,0|2,0,0]=4 10224 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000737683 [0,2,0,0,0,0|2,0,0]=4 10225 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 34a_100009868337_100012179268 [0,2,0,0,0,0|2,0,0]=4 10226 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000737683 [0,2,0,0,0,0|2,0,0]=4 10227 B16R0.221 CNC(=O)CCOCCCCCCCCCN 34a_100000078944_100012179268 [0,2,0,0,0,0|2,0,0]=4 10228 B16R0.221 CNC(=O)CCOCCCCCCCCCO 34a_100000754576_100009813782 [0,2,0,0,0,0|2,0,0]=4 10229 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100000737683_100009813782 [0,2,0,0,0,0|2,0,0]=4 10230 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100009813782_100000737683 [0,2,0,0,0,0|2,0,0]=4 10231 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 10232 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000693194_100009813290 [0,2,0,0,0,0|2,0,0]=4 10233 B16R0.221 CNC(=O)CNCCCCCCCCCCO 34a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 10234 B16R0.221 CNC(=O)COCCCCCCCCCCBr 34a_100009813290_100000183359 [0,2,0,0,0,0|2,0,0]=4 10235 B16R0.221 CNC(=O)COCCCCCCCCCCBr 7a_100009813290_100000183359 [0,2,0,0,0,0|2,0,0]=4 10236 B16R0.221 CNC(=O)COCCCCCCCCCCCl 34a_200000033068_100000183359 [0,2,0,0,0,0|2,0,0]=4 10237 B16R0.221 CNC(=O)COCCCCCCCCCCCl 7a_200000033068_100000183359 [0,2,0,0,0,0|2,0,0]=4 10238 B16R0.221 CNC(=O)COCCCCCCCCCCN 34a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 10239 B16R0.221 CNC(=O)COCCCCCCCCCCO 34a_100000750040_100009813290 [0,2,0,0,0,0|2,0,0]=4 10240 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100000183359_200000033068 [0,2,0,0,0,0|2,0,0]=4 10241 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100009813290_100000183359 [0,2,0,0,0,0|2,0,0]=4 10242 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [0,2,0,0,0,0|0,0,0]=2 10243 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [0,2,0,0,0,0|0,0,0]=2 10244 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [0,2,0,0,0,0|0,0,0]=2 10245 B16R0.221 CNCCCCCOCCCCCC(=O)OC 34a_100000722520_100009816466 [0,2,0,0,0,0|1,0,0]=3 10246 B16R0.221 CNCCCOCCCCCCCC(=O)OC 34a_100000213112_100010004213 [0,2,0,0,0,0|1,0,0]=3 10247 B16R0.221 CNCCOCCOCCCCCC(=O)OC 34a_100000228057_100009816466 [0,2,0,0,0,0|2,0,0]=4 10248 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [0,2,0,0,0,0|0,0,0]=2 10249 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [0,2,0,0,0,0|0,0,0]=2 10250 B16R0.221 COC(=O)CCCCCCCCCCOCF 34a_100011003013_100015361967 [0,2,0,0,0,0|1,0,0]=3 10251 B16R0.221 COC(=O)CCCCCCCCCCOCF 7a_100011003013_100015361967 [0,2,0,0,0,0|1,0,0]=3 10252 B16R0.221 COC(=O)CCCCCCCCCCSCF 62a_100015361967_100009812566 [0,2,0,0,0,0|1,0,0]=3 10253 B16R0.221 COC(=O)CCCCCCCCCNCCF 34a_100000724931_100009813843 [0,2,0,0,0,0|1,0,0]=3 10254 B16R0.221 COC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009813843 [0,2,0,0,0,0|1,0,0]=3 10255 B16R0.221 COC(=O)CCCCCCCCCNCCO 34a_100016990907_100009813843 [0,2,0,0,0,0|1,0,0]=3 10256 B16R0.221 COC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009813843 [0,2,0,0,0,0|1,0,0]=3 10257 B16R0.221 COC(=O)CCCCCCCCCOCCN 34a_100000210304_100009813843 [0,2,0,0,0,0|1,0,0]=3 10258 B16R0.221 COC(=O)CCCCCCCCCSCC#N 62a_100011215382_100009813843 [0,2,0,0,0,0|1,0,1]=4 10259 B16R0.221 COC(=O)CCCCCCCCCSCC=O 62a_200015260668_100009813843 [0,2,0,0,0,0|1,0,1]=4 10260 B16R0.221 COC(=O)CCCCCCCCCSCCF 62a_100011217306_100009813843 [0,2,0,0,0,0|1,0,0]=3 10261 B16R0.221 COC(=O)CCCCCCCCCSCCO 62a_100000211926_100009813843 [0,2,0,0,0,0|1,0,0]=3 10262 B16R0.221 COC(=O)CCCCCCCCCSCSC 62a_100011218213_100009813843 [0,2,0,0,0,0|1,0,0]=3 10263 B16R0.221 COC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010282707 [0,2,0,0,0,0|1,0,0]=3 10264 B16R0.221 COC(=O)CCCCCCCCNCCCF 34a_100015189416_100010282707 [0,2,0,0,0,0|1,0,0]=3 10265 B16R0.221 COC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010282707 [0,2,0,0,0,0|1,0,0]=3 10266 B16R0.221 COC(=O)CCCCCCCCOCCC#N 7a_100000035544_100000184422 [0,2,0,0,0,0|1,0,1]=4 10267 B16R0.221 COC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010282707 [0,2,0,0,0,0|1,0,0]=3 10268 B16R0.221 COC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010282707 [0,2,0,0,0,0|1,0,0]=3 10269 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000035544_100011934791 [0,2,0,0,0,0|1,0,0]=3 10270 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000759539_100010282707 [0,2,0,0,0,0|1,0,0]=3 10271 B16R0.221 COC(=O)CCCCCCCCOCCCF 7a_100000035544_100011934791 [0,2,0,0,0,0|1,0,0]=3 10272 B16R0.221 COC(=O)CCCCCCCCOCCCN 34a_100000182051_100010282707 [0,2,0,0,0,0|1,0,0]=3 10273 B16R0.221 COC(=O)CCCCCCCCOCCCO 34a_100000035544_100000230001 [0,2,0,0,0,0|1,0,0]=3 10274 B16R0.221 COC(=O)CCCCCCCCOCCCO 7a_100000035544_100011215043 [0,2,0,0,0,0|1,0,0]=3 10275 B16R0.221 COC(=O)CCCCCCCCOCCON 34a_100000700252_100010282707 [0,2,0,0,0,0|2,0,0]=4 10276 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000035544_100000212216 [0,2,0,0,0,0|1,0,0]=3 10277 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000230434_100010282707 [0,2,0,0,0,0|1,0,0]=3 10278 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000035544_100000212216 [0,2,0,0,0,0|1,0,0]=3 10279 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000230434_100010282707 [0,2,0,0,0,0|1,0,0]=3 10280 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100010282707_100011215226 [0,2,0,0,0,0|1,0,1]=4 10281 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100011215226_100010282707 [0,2,0,0,0,0|1,0,1]=4 10282 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100010282707_100011934791 [0,2,0,0,0,0|1,0,0]=3 10283 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100011934791_100010282707 [0,2,0,0,0,0|1,0,0]=3 10284 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100010282707_100011215043 [0,2,0,0,0,0|1,0,0]=3 10285 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100011215043_100010282707 [0,2,0,0,0,0|1,0,0]=3 10286 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100000212216_100010282707 [0,2,0,0,0,0|1,0,0]=3 10287 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100010282707_100000751147 [0,2,0,0,0,0|1,0,0]=3 10288 B16R0.221 COC(=O)CCCCCCCNCCCCO 2230a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 10289 B16R0.221 COC(=O)CCCCCCCNCCCCO 34a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 10290 B16R0.221 COC(=O)CCCCCCCNCCCSC 2230a_100000749238_100010004213 [0,2,0,0,0,0|1,0,0]=3 10291 B16R0.221 COC(=O)CCCCCCCOCCCC#N 7a_100011022521_100000687738 [0,2,0,0,0,0|1,0,1]=4 10292 B16R0.221 COC(=O)CCCCCCCOCCCC=O 7a_100011022521_200011292268 [0,2,0,0,0,0|1,0,1]=4 10293 B16R0.221 COC(=O)CCCCCCCOCCCCBr 34a_100011216708_100010004213 [0,2,0,0,0,0|1,0,0]=3 10294 B16R0.221 COC(=O)CCCCCCCOCCCCCl 34a_100000210776_100010004213 [0,2,0,0,0,0|1,0,0]=3 10295 B16R0.221 COC(=O)CCCCCCCOCCCCCl 7a_100000210776_100010004213 [0,2,0,0,0,0|1,0,0]=3 10296 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011022521_100000729493 [0,2,0,0,0,0|1,0,0]=3 10297 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011995726_100010004213 [0,2,0,0,0,0|1,0,0]=3 10298 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011022521_100000729493 [0,2,0,0,0,0|1,0,0]=3 10299 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011995726_100010004213 [0,2,0,0,0,0|1,0,0]=3 10300 B16R0.221 COC(=O)CCCCCCCOCCCCI 34a_200012148704_100010004213 [0,2,0,0,0,0|1,0,0]=3 10301 B16R0.221 COC(=O)CCCCCCCOCCCCN 34a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 10302 B16R0.221 COC(=O)CCCCCCCOCCCCO 34a_100011022521_100011216708 [0,2,0,0,0,0|1,0,0]=3 10303 B16R0.221 COC(=O)CCCCCCCOCCCCO 7a_100011022521_100000210776 [0,2,0,0,0,0|1,0,0]=3 10304 B16R0.221 COC(=O)CCCCCCCOCCCSC 34a_100000690336_100010004213 [0,2,0,0,0,0|1,0,0]=3 10305 B16R0.221 COC(=O)CCCCCCCOCCCSC 7a_100000690336_100010004213 [0,2,0,0,0,0|1,0,0]=3 10306 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100000687738_100010004213 [0,2,0,0,0,0|1,0,1]=4 10307 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100010004213_100000687738 [0,2,0,0,0,0|1,0,1]=4 10308 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_100010004213_200011292268 [0,2,0,0,0,0|1,0,1]=4 10309 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_200011292268_100010004213 [0,2,0,0,0,0|1,0,1]=4 10310 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100000729493_100010004213 [0,2,0,0,0,0|1,0,0]=3 10311 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100010004213_100000729493 [0,2,0,0,0,0|1,0,0]=3 10312 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100000210776_100010004213 [0,2,0,0,0,0|1,0,0]=3 10313 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100010004213_100000210776 [0,2,0,0,0,0|1,0,0]=3 10314 B16R0.221 COC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 10315 B16R0.221 COC(=O)CCCCCCNCCCCCO 34a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 10316 B16R0.221 COC(=O)CCCCCCNCCOCCO 2230a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 10317 B16R0.221 COC(=O)CCCCCCNCCOCCO 34a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 10318 B16R0.221 COC(=O)CCCCCCNCCSCCO 2230a_100011219999_100009815986 [0,2,0,0,0,0|2,0,0]=4 10319 B16R0.221 COC(=O)CCCCCCOCCCCC#N 7a_100009863599_100000211819 [0,2,0,0,0,0|1,0,1]=4 10320 B16R0.221 COC(=O)CCCCCCOCCCCC=O 7a_100009863599_100000139335 [0,2,0,0,0,0|1,0,1]=4 10321 B16R0.221 COC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009815986 [0,2,0,0,0,0|1,0,0]=3 10322 B16R0.221 COC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009815986 [0,2,0,0,0,0|1,0,0]=3 10323 B16R0.221 COC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009815986 [0,2,0,0,0,0|1,0,0]=3 10324 B16R0.221 COC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009815986 [0,2,0,0,0,0|1,0,0]=3 10325 B16R0.221 COC(=O)CCCCCCOCCCCCF 34a_100009863599_100000729378 [0,2,0,0,0,0|1,0,0]=3 10326 B16R0.221 COC(=O)CCCCCCOCCCCCF 7a_100009863599_100000729378 [0,2,0,0,0,0|1,0,0]=3 10327 B16R0.221 COC(=O)CCCCCCOCCCCCI 34a_200012148887_100009815986 [0,2,0,0,0,0|1,0,0]=3 10328 B16R0.221 COC(=O)CCCCCCOCCCCCI 7a_200012148887_100009815986 [0,2,0,0,0,0|1,0,0]=3 10329 B16R0.221 COC(=O)CCCCCCOCCCCCN 34a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 10330 B16R0.221 COC(=O)CCCCCCOCCCCCO 34a_100009863599_100000746330 [0,2,0,0,0,0|1,0,0]=3 10331 B16R0.221 COC(=O)CCCCCCOCCCCCO 7a_100009863599_100000746330 [0,2,0,0,0,0|1,0,0]=3 10332 B16R0.221 COC(=O)CCCCCCOCCCCSC 34a_100011217163_100009815986 [0,2,0,0,0,0|1,0,0]=3 10333 B16R0.221 COC(=O)CCCCCCOCCCCSC 7a_100011217163_100009815986 [0,2,0,0,0,0|1,0,0]=3 10334 B16R0.221 COC(=O)CCCCCCOCCOCCBr 34a_100000692535_100009815986 [0,2,0,0,0,0|2,0,0]=4 10335 B16R0.221 COC(=O)CCCCCCOCCOCCBr 7a_100000692535_100009815986 [0,2,0,0,0,0|2,0,0]=4 10336 B16R0.221 COC(=O)CCCCCCOCCOCCCl 34a_100011215305_100009815986 [0,2,0,0,0,0|2,0,0]=4 10337 B16R0.221 COC(=O)CCCCCCOCCOCCCl 7a_100011215305_100009815986 [0,2,0,0,0,0|2,0,0]=4 10338 B16R0.221 COC(=O)CCCCCCOCCOCCF 34a_200015357709_100009815986 [0,2,0,0,0,0|2,0,0]=4 10339 B16R0.221 COC(=O)CCCCCCOCCOCCF 7a_200015357709_100009815986 [0,2,0,0,0,0|2,0,0]=4 10340 B16R0.221 COC(=O)CCCCCCOCCOCCI 34a_100012149058_100009815986 [0,2,0,0,0,0|2,0,0]=4 10341 B16R0.221 COC(=O)CCCCCCOCCOCCI 7a_100012149058_100009815986 [0,2,0,0,0,0|2,0,0]=4 10342 B16R0.221 COC(=O)CCCCCCOCCOCCN 34a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 10343 B16R0.221 COC(=O)CCCCCCOCCOCCO 34a_100009863599_100000692535 [0,2,0,0,0,0|2,0,0]=4 10344 B16R0.221 COC(=O)CCCCCCOCCOCCO 7a_100009863599_100011215305 [0,2,0,0,0,0|2,0,0]=4 10345 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100009815986_100000211819 [0,2,0,0,0,0|1,0,1]=4 10346 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100011219923_100009815986 [0,2,0,0,0,0|1,0,1]=4 10347 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100000139335_100009815986 [0,2,0,0,0,0|1,0,1]=4 10348 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100009815986_100000139335 [0,2,0,0,0,0|1,0,1]=4 10349 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100000729378_100009815986 [0,2,0,0,0,0|1,0,0]=3 10350 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100009815986_100000729378 [0,2,0,0,0,0|1,0,0]=3 10351 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100000746330_100009815986 [0,2,0,0,0,0|1,0,0]=3 10352 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100009815986_100000746330 [0,2,0,0,0,0|1,0,0]=3 10353 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100009815986_100011215305 [0,2,0,0,0,0|2,0,0]=4 10354 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100011215305_100009815986 [0,2,0,0,0,0|2,0,0]=4 10355 B16R0.221 COC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 10356 B16R0.221 COC(=O)CCCCCNCCCCCCO 34a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 10357 B16R0.221 COC(=O)CCCCCOCCCCCC#N 7a_100000074720_100009813376 [0,2,0,0,0,0|1,0,1]=4 10358 B16R0.221 COC(=O)CCCCCOCCCCCC=O 7a_100000074720_100000139337 [0,2,0,0,0,0|1,0,1]=4 10359 B16R0.221 COC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009816466 [0,2,0,0,0,0|1,0,0]=3 10360 B16R0.221 COC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009816466 [0,2,0,0,0,0|1,0,0]=3 10361 B16R0.221 COC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009816466 [0,2,0,0,0,0|1,0,0]=3 10362 B16R0.221 COC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009816466 [0,2,0,0,0,0|1,0,0]=3 10363 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000074720_100015922095 [0,2,0,0,0,0|1,0,0]=3 10364 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000732779_100009816466 [0,2,0,0,0,0|1,0,0]=3 10365 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000074720_100015922095 [0,2,0,0,0,0|1,0,0]=3 10366 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000732779_100009816466 [0,2,0,0,0,0|1,0,0]=3 10367 B16R0.221 COC(=O)CCCCCOCCCCCCN 34a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 10368 B16R0.221 COC(=O)CCCCCOCCCCCCO 34a_100000074720_100000766143 [0,2,0,0,0,0|1,0,0]=3 10369 B16R0.221 COC(=O)CCCCCOCCCCCCO 7a_100000074720_100000766143 [0,2,0,0,0,0|1,0,0]=3 10370 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009813376_100009816466 [0,2,0,0,0,0|1,0,1]=4 10371 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009816466_100009813376 [0,2,0,0,0,0|1,0,1]=4 10372 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009816466 [0,2,0,0,0,0|1,0,1]=4 10373 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100009816466_100000139337 [0,2,0,0,0,0|1,0,1]=4 10374 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100009816466_100015922095 [0,2,0,0,0,0|1,0,0]=3 10375 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100015922095_100009816466 [0,2,0,0,0,0|1,0,0]=3 10376 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100000766143_100009816466 [0,2,0,0,0,0|1,0,0]=3 10377 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100009816466_100000766143 [0,2,0,0,0,0|1,0,0]=3 10378 B16R0.221 COC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 10379 B16R0.221 COC(=O)CCCCNCCCCCCCO 34a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 10380 B16R0.221 COC(=O)CCCCNCCCOCCCO 2230a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 10381 B16R0.221 COC(=O)CCCCNCCCOCCCO 34a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 10382 B16R0.221 COC(=O)CCCCOCCCCCCC#N 7a_100000059025_100009813337 [0,2,0,0,0,0|1,0,1]=4 10383 B16R0.221 COC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000204269 [0,2,0,0,0,0|1,0,0]=3 10384 B16R0.221 COC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000204269 [0,2,0,0,0,0|1,0,0]=3 10385 B16R0.221 COC(=O)CCCCOCCCCCCCN 34a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 10386 B16R0.221 COC(=O)CCCCOCCCCCCCO 34a_100000059025_100000760002 [0,2,0,0,0,0|1,0,0]=3 10387 B16R0.221 COC(=O)CCCCOCCCCCCCO 7a_100000059025_100000760002 [0,2,0,0,0,0|1,0,0]=3 10388 B16R0.221 COC(=O)CCCCOCCCOCCCN 34a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 10389 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100000204269_100009813337 [0,2,0,0,0,0|1,0,1]=4 10390 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000204269 [0,2,0,0,0,0|1,0,1]=4 10391 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000204269_100000760002 [0,2,0,0,0,0|1,0,0]=3 10392 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000760002_100000204269 [0,2,0,0,0,0|1,0,0]=3 10393 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [0,2,0,0,0,0|1,0,0]=3 10394 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [0,2,0,0,0,0|1,0,0]=3 10395 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [0,2,0,0,0,0|1,0,0]=3 10396 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [0,2,0,0,0,0|1,0,0]=3 10397 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [0,2,0,0,0,0|1,0,0]=3 10398 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [0,2,0,0,0,0|1,0,0]=3 10399 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [0,2,0,0,0,0|1,0,0]=3 10400 B16R0.221 COC(=O)CCCOCCCCCNCCN 34a_103619048469_100000742333 [0,2,0,0,0,0|2,0,0]=4 10401 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [0,2,0,0,0,0|1,0,0]=3 10402 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [0,2,0,0,0,0|1,0,0]=3 10403 B16R0.221 COC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000204255 [0,2,0,0,0,0|1,0,0]=3 10404 B16R0.221 COC(=O)CCNCCCCCCCCCO 34a_100000078944_100000742370 [0,2,0,0,0,0|1,0,0]=3 10405 B16R0.221 COC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000742370 [0,2,0,0,0,0|1,0,0]=3 10406 B16R0.221 COC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000204255 [0,2,0,0,0,0|1,0,0]=3 10407 B16R0.221 COC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000742370 [0,2,0,0,0,0|1,0,0]=3 10408 B16R0.221 COC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000204255 [0,2,0,0,0,0|1,0,0]=3 10409 B16R0.221 COC(=O)CCOCCCCCCCCCN 34a_100000078944_100000742370 [0,2,0,0,0,0|1,0,0]=3 10410 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100000204255_100009813782 [0,2,0,0,0,0|1,0,0]=3 10411 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100009813782_100000204255 [0,2,0,0,0,0|1,0,0]=3 10412 B16R0.221 COC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 10413 B16R0.221 COC(=O)CNCCCCCCCCCCO 34a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 10414 B16R0.221 COC(=O)COCCCCCCCCCCBr 34a_100009813290_100000747449 [0,2,0,0,0,0|1,0,0]=3 10415 B16R0.221 COC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747449 [0,2,0,0,0,0|1,0,0]=3 10416 B16R0.221 COC(=O)COCCCCCCCCCCCl 34a_200000033068_100000747449 [0,2,0,0,0,0|1,0,0]=3 10417 B16R0.221 COC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747449 [0,2,0,0,0,0|1,0,0]=3 10418 B16R0.221 COC(=O)COCCCCCCCCCCN 34a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 10419 B16R0.221 COC(=O)COCCNCCCCCCCO 2230a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 10420 B16R0.221 COC(=O)COCCNCCCCCCCO 34a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 10421 B16R0.221 COC(=O)COCCOCCCCCCCBr 34a_100000760002_100000090808 [0,2,0,0,0,0|2,0,0]=4 10422 B16R0.221 COC(=O)COCCOCCCCCCCBr 7a_100000760002_100000090808 [0,2,0,0,0,0|2,0,0]=4 10423 B16R0.221 COC(=O)COCCOCCCCCCCN 34a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 10424 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000090808_100000760002 [0,2,0,0,0,0|2,0,0]=4 10425 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000760002_100000090808 [0,2,0,0,0,0|2,0,0]=4 10426 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100000747449_200000033068 [0,2,0,0,0,0|1,0,0]=3 10427 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747449 [0,2,0,0,0,0|1,0,0]=3 10428 B16R0.221 COC(=O)NCCOCCCCCCCCO 34a_100000757965_100000033203 [0,2,0,0,0,0|2,0,0]=4 10429 B16R0.221 COC(=O)OCCOCCCCCCCCO 34a_100010262106_100000033203 [0,2,0,0,0,0|2,0,0]=4 10430 B16R0.221 COC(=O)OCSCCCCCCCCCO 62a_100009813782_100000139417 [0,2,0,0,0,0|2,0,0]=4 10431 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [0,2,0,0,0,0|0,0,0]=2 10432 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_100000059025_100011998445 [0,2,0,0,0,0|1,0,0]=3 10433 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_200012092642_100000204269 [0,2,0,0,0,0|1,0,0]=3 10434 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_100000059025_100011998445 [0,2,0,0,0,0|1,0,0]=3 10435 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_200012092642_100000204269 [0,2,0,0,0,0|1,0,0]=3 10436 B16R0.221 COCCCCCCOCCOCC(=O)OC 34a_200012092642_100000090808 [0,2,0,0,0,0|2,0,0]=4 10437 B16R0.221 COCCCCCCOCCOCC(=O)OC 7a_200012092642_100000090808 [0,2,0,0,0,0|2,0,0]=4 10438 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100000204269_100011998445 [0,2,0,0,0,0|1,0,0]=3 10439 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100011998445_100000204269 [0,2,0,0,0,0|1,0,0]=3 10440 B16R0.221 COCCCCCCSCCOCC(=O)OC 62a_100000090808_100011998445 [0,2,0,0,0,0|2,0,0]=4 10441 B16R0.221 COCCCCCCSCCOCC(=O)OC 62a_100011998445_100000090808 [0,2,0,0,0,0|2,0,0]=4 10442 B16R0.221 COCCCCCNCCCCCC(=O)OC 2230a_100000747528_100009816466 [0,2,0,0,0,0|1,0,0]=3 10443 B16R0.221 COCCCCCNCCCCCC(=O)OC 34a_100000747528_100009816466 [0,2,0,0,0,0|1,0,0]=3 10444 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100000740925_100009815986 [0,2,0,0,0,0|1,0,0]=3 10445 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100009863599_100000755781 [0,2,0,0,0,0|1,0,0]=3 10446 B16R0.221 COCCCCOCCCCCCC(=O)OC 7a_100009863599_100000730899 [0,2,0,0,0,0|1,0,0]=3 10447 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100000730899_100009815986 [0,2,0,0,0,0|1,0,0]=3 10448 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100009815986_100000730899 [0,2,0,0,0,0|1,0,0]=3 10449 B16R0.221 COCCCNCCCCCCCC(=O)OC 34a_100150723488_100010004213 [0,2,0,0,0,0|1,0,0]=3 10450 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100000740835_100010004213 [0,2,0,0,0,0|1,0,0]=3 10451 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100011022521_100000740836 [0,2,0,0,0,0|1,0,0]=3 10452 B16R0.221 COCCCOCCCCCCCC(=O)OC 7a_100011022521_100000740836 [0,2,0,0,0,0|1,0,0]=3 10453 B16R0.221 COCCCOCCCOCCCC(=O)OC 34a_200011215475_100000742333 [0,2,0,0,0,0|2,0,0]=4 10454 B16R0.221 COCCCOCCCOCCCC(=O)OC 7a_200011215475_100011218270 [0,2,0,0,0,0|2,0,0]=4 10455 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100000709357_100010004213 [0,2,0,0,0,0|1,0,0]=3 10456 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100010004213_100000709357 [0,2,0,0,0,0|1,0,0]=3 10457 B16R0.221 COCCNCCCCCCCCC(=O)OC 2230a_100000209980_100010282707 [0,2,0,0,0,0|1,0,0]=3 10458 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000035544_100011201679 [0,2,0,0,0,0|1,0,0]=3 10459 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000210237_100010282707 [0,2,0,0,0,0|1,0,0]=3 10460 B16R0.221 COCCOCCCCCCCCC(=O)OC 7a_100000035544_100000233755 [0,2,0,0,0,0|1,0,0]=3 10461 B16R0.221 COCCOCCCNCCCCC(=O)OC 2230a_100000206027_100000204269 [0,2,0,0,0,0|2,0,0]=4 10462 B16R0.221 COCCOCCCNCCCCC(=O)OC 34a_100000206027_100000204269 [0,2,0,0,0,0|2,0,0]=4 10463 B16R0.221 COCCOCCCOCCCCC(=O)OC 34a_100000059025_100011216529 [0,2,0,0,0,0|2,0,0]=4 10464 B16R0.221 COCCOCCCOCCCCC(=O)OC 7a_100000059025_100011216529 [0,2,0,0,0,0|2,0,0]=4 10465 B16R0.221 COCCOCCCSCCCCC(=O)OC 62a_100000204269_100011216529 [0,2,0,0,0,0|2,0,0]=4 10466 B16R0.221 COCCOCCCSCCCCC(=O)OC 62a_100011216529_100000204269 [0,2,0,0,0,0|2,0,0]=4 10467 B16R0.221 COCCOCCNCCCCCC(=O)OC 2230a_100000745349_100009816466 [0,2,0,0,0,0|2,0,0]=4 10468 B16R0.221 COCCOCCNCCCCCC(=O)OC 34a_100000745349_100009816466 [0,2,0,0,0,0|2,0,0]=4 10469 B16R0.221 COCCOCCOCCCCCC(=O)OC 34a_100000074720_100000695917 [0,2,0,0,0,0|2,0,0]=4 10470 B16R0.221 COCCOCCOCCCCCC(=O)OC 34a_100011215163_100009816466 [0,2,0,0,0,0|2,0,0]=4 10471 B16R0.221 COCCOCCOCCCCCC(=O)OC 7a_100000074720_100000695917 [0,2,0,0,0,0|2,0,0]=4 10472 B16R0.221 COCCOCCOCCCCCC(=O)OC 7a_100011215163_100009816466 [0,2,0,0,0,0|2,0,0]=4 10473 B16R0.221 COCCOCCSCCCCCC(=O)OC 62a_100000695917_100009816466 [0,2,0,0,0,0|2,0,0]=4 10474 B16R0.221 COCCOCCSCCCCCC(=O)OC 62a_100009816466_100000695917 [0,2,0,0,0,0|2,0,0]=4 10475 B16R0.221 COCCOCSCCCCCCC(=O)OC 62a_100000231047_100009815986 [0,2,0,0,0,0|2,0,0]=4 10476 B16R0.221 COCCOCSCCCCCCC(=O)OC 62a_100009815986_100000231047 [0,2,0,0,0,0|2,0,0]=4 10477 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100000233755_100010282707 [0,2,0,0,0,0|1,0,0]=3 10478 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100010282707_100000233755 [0,2,0,0,0,0|1,0,0]=3 10479 B16R0.221 COCSCCCCCCCCCC(=O)OC 62a_100000766300_100009813843 [0,2,0,0,0,0|1,0,0]=3 10480 B16R0.221 NC(=NO)CCOCCCCCCCCCO 34a_100000749954_100009813782 [0,2,0,0,0,0|2,0,0]=4 10481 B16R0.221 NNC(=O)CCCOCCCCCCCCO 34a_100000211488_100000033203 [0,2,0,0,0,0|2,0,0]=4 10482 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [0,2,0,0,0,0|0,0,0]=2 10483 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [0,2,0,0,0,0|1,0,0]=3 10484 B16R0.224 C=C(Br)C(=O)NCCCCCCCCCCC 11a_200011215754_100009813364 [0,2,0,0,0,0|2,0,0]=4 10485 B16R0.224 C=C(Br)C(=O)NCCCCCCCCCCC 1626a_200011215754_100009813364 [0,2,0,0,0,0|2,0,0]=4 10486 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCO 1458a_100000185857_100009812471 [0,2,0,0,0,0|2,0,0]=4 10487 B16R0.224 C=C(C)C(=O)NCCCCCCCCCCC 11a_200011215754_100000185857 [0,2,0,0,0,0|2,0,0]=4 10488 B16R0.224 C=C(C)C(=O)NCCCCCCCCCCC 1626a_200011215754_100000185857 [0,2,0,0,0,0|2,0,0]=4 10489 B16R0.224 C=C(Cl)C(=O)NCCCCCCCCCCC 11a_200011215754_100000039160 [0,2,0,0,0,0|2,0,0]=4 10490 B16R0.224 C=C(Cl)C(=O)NCCCCCCCCCCC 1626a_200011215754_100000039160 [0,2,0,0,0,0|2,0,0]=4 10491 B16R0.224 C=C(F)C(=O)NCCCCCCCCCCC 11a_200011215754_100000036797 [0,2,0,0,0,0|2,0,0]=4 10492 B16R0.224 C=C(F)C(=O)NCCCCCCCCCCC 1626a_200011215754_100000036797 [0,2,0,0,0,0|2,0,0]=4 10493 B16R0.224 C=CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011093070 [0,2,0,0,0,0|0,0,2]=4 10494 B16R0.224 C=CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011093070 [0,2,0,0,0,0|0,0,2]=4 10495 B16R0.224 C=CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011093070 [0,2,0,0,0,0|0,0,2]=4 10496 B16R0.224 C=CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814027 [0,2,0,0,0,0|0,0,2]=4 10497 B16R0.224 C=CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011933949 [0,2,0,0,0,0|0,0,2]=4 10498 B16R0.224 C=CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011933949 [0,2,0,0,0,0|0,0,2]=4 10499 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 34a_100000032740_100009813782 [0,2,0,0,0,0|2,0,0]=4 10500 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 7a_100000032740_100009813782 [0,2,0,0,0,0|2,0,0]=4 10501 B16R0.224 CC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100009814033 [0,2,0,0,0,0|2,0,0]=4 10502 B16R0.224 CC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000179758 [0,2,0,0,0,0|2,0,0]=4 10503 B16R0.224 CC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000179758 [0,2,0,0,0,0|2,0,0]=4 10504 B16R0.224 CC(=O)C(C)OCCCCCCCCCCO 34a_100000212229_100009813290 [0,2,0,0,0,0|2,0,0]=4 10505 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100009814033 [0,2,0,0,0,0|2,0,0]=4 10506 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009814033_200000033068 [0,2,0,0,0,0|2,0,0]=4 10507 B16R0.224 CC(C)C(=O)CCCCCCCCCCCO 1458a_100000210198_100009812471 [0,2,0,0,0,0|2,0,0]=4 10508 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [0,2,0,0,0,0|1,0,0]=3 10509 B16R0.224 CC(F)C(=O)CCCCCCCCCCCO 1458a_100000062450_100009812471 [0,2,0,0,0,0|2,0,0]=4 10510 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 2230a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 10511 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 34a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 10512 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 34a_100009813290_100000702099 [0,2,0,0,0,0|2,0,0]=4 10513 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 7a_100009813290_100000702099 [0,2,0,0,0,0|2,0,0]=4 10514 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 34a_200000033068_100000702099 [0,2,0,0,0,0|2,0,0]=4 10515 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 7a_200000033068_100000702099 [0,2,0,0,0,0|2,0,0]=4 10516 B16R0.224 CC(OCCCCCCCCCCN)C(=O)N 34a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 10517 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100000702099_200000033068 [0,2,0,0,0,0|2,0,0]=4 10518 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100009813290_100000702099 [0,2,0,0,0,0|2,0,0]=4 10519 B16R0.224 CCC#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_200000036426 [0,2,0,0,0,0|0,0,2]=4 10520 B16R0.224 CCC#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_200000036426 [0,2,0,0,0,0|0,0,2]=4 10521 B16R0.224 CCCCC#CCCCCCCC(=O)C(O)O 1458a_100000233687_200000043322 [0,2,0,0,0,0|0,0,2]=4 10522 B16R0.224 CCCCC#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_200000043322 [0,2,0,0,0,0|0,0,2]=4 10523 B16R0.224 CCCCC#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_200000043322 [0,2,0,0,0,0|0,0,2]=4 10524 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [0,2,0,0,0,0|0,0,0]=2 10525 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100011215791 [0,2,0,0,0,0|1,0,0]=3 10526 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100011215791 [0,2,0,0,0,0|1,0,0]=3 10527 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100011215791 [0,2,0,0,0,0|1,0,0]=3 10528 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [0,2,0,0,0,0|0,0,0]=2 10529 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [0,2,0,0,0,0|0,0,0]=2 10530 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [0,2,0,0,0,0|1,0,0]=3 10531 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [0,2,0,0,0,0|1,0,0]=3 10532 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [0,2,0,0,0,0|1,0,0]=3 10533 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [0,2,0,0,0,0|1,0,0]=3 10534 B16R0.224 CCCCCCCCCCCNC(=O)C(=O)N 240690a_200011215754_100011215815 [0,2,0,0,0,0|1,0,1]=4 10535 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 11a_200011215754_100000210198 [0,2,0,0,0,0|2,0,0]=4 10536 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 1626a_200011215754_100000210198 [0,2,0,0,0,0|2,0,0]=4 10537 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 240690a_200011215754_100000210198 [0,2,0,0,0,0|2,0,0]=4 10538 B16R0.224 CCCCCCCCCCCNC(=O)C(C)C 527a_200011215754_100000210198 [0,2,0,0,0,0|2,0,0]=4 10539 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 11a_200011215754_100000062450 [0,2,0,0,0,0|2,0,0]=4 10540 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 1626a_200011215754_100000062450 [0,2,0,0,0,0|2,0,0]=4 10541 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 240690a_200011215754_100000062450 [0,2,0,0,0,0|2,0,0]=4 10542 B16R0.224 CCCCCCCCCCCNC(=O)C(C)F 527a_200011215754_100000062450 [0,2,0,0,0,0|2,0,0]=4 10543 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 11a_200011215754_100000210393 [0,2,0,0,0,0|2,0,0]=4 10544 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 1626a_200011215754_100000210393 [0,2,0,0,0,0|2,0,0]=4 10545 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 240690a_200011215754_100000210393 [0,2,0,0,0,0|2,0,0]=4 10546 B16R0.224 CCCCCCCCCCCNC(=O)C(F)F 527a_200011215754_100000210393 [0,2,0,0,0,0|2,0,0]=4 10547 B16R0.224 CCCCCCCCCCCNC(=O)C(O)O 240690a_200011215754_100000233687 [0,2,0,0,0,0|1,0,0]=3 10548 B16R0.224 CCCCCCCCCCCNC(=O)N(C)C 2708a_200011215754_100102631434 [0,2,0,0,0,0|2,0,0]=4 10549 B16R0.224 CCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_200011215754_100000717761 [0,2,0,0,0,0|1,0,0]=3 10550 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 1626a_200011215754_217856618621 [0,2,0,0,0,0|1,0,0]=3 10551 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 240690a_200011215754_217856618621 [0,2,0,0,0,0|1,0,0]=3 10552 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [0,2,0,0,0,0|1,0,0]=3 10553 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [0,2,0,0,0,0|1,0,0]=3 10554 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [0,2,0,0,0,0|1,0,0]=3 10555 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [0,2,0,0,0,0|1,0,0]=3 10556 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [0,2,0,0,0,0|1,0,0]=3 10557 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [0,2,0,0,0,0|0,0,1]=3 10558 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,2,0,0,0,0|0,0,0]=2 10559 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [0,2,0,0,0,0|1,0,0]=3 10560 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [0,2,0,0,0,0|1,0,0]=3 10561 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [0,2,0,0,0,0|1,0,0]=3 10562 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [0,2,0,0,0,0|1,0,0]=3 10563 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [0,2,0,0,0,0|1,0,0]=3 10564 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [0,2,0,0,0,0|1,0,0]=3 10565 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [0,2,0,0,0,0|1,0,0]=3 10566 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [0,2,0,0,0,0|1,0,0]=3 10567 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [0,2,0,0,0,0|0,0,1]=3 10568 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [0,2,0,0,0,0|0,0,1]=3 10569 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [0,2,0,0,0,0|1,0,0]=3 10570 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [0,2,0,0,0,0|1,0,0]=3 10571 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [0,2,0,0,0,0|1,0,0]=3 10572 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [0,2,0,0,0,0|1,0,0]=3 10573 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [0,2,0,0,0,0|0,0,1]=3 10574 B16R0.224 CCCCCCCCCCNCC(=O)C(=O)C 34a_100000684558_100011261029 [0,2,0,0,0,0|1,0,1]=4 10575 B16R0.224 CCCCCCCCCCNCC(=O)C(C)C 2230a_100000684558_100000753385 [0,2,0,0,0,0|2,0,0]=4 10576 B16R0.224 CCCCCCCCCCNCC(=O)C(C)C 34a_100000684558_100000753385 [0,2,0,0,0,0|2,0,0]=4 10577 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 2230a_100000684558_100000185267 [0,2,0,0,0,0|2,0,0]=4 10578 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210320 [0,2,0,0,0,0|2,0,0]=4 10579 B16R0.224 CCCCCCCCCCNCC(=O)N(C)C 34a_100000684558_100000692301 [0,2,0,0,0,0|2,0,0]=4 10580 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,2,0,0,0,0|0,0,0]=2 10581 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,2,0,0,0,0|0,0,0]=2 10582 B16R0.224 CCCCCCCCCCOCC(=O)C(=O)C 34a_100000210711_100011261029 [0,2,0,0,0,0|1,0,1]=4 10583 B16R0.224 CCCCCCCCCCOCC(=O)C(C)C 34a_100000210711_100000753385 [0,2,0,0,0,0|2,0,0]=4 10584 B16R0.224 CCCCCCCCCCOCC(=O)C(C)C 7a_100000210711_100000753385 [0,2,0,0,0,0|2,0,0]=4 10585 B16R0.224 CCCCCCCCCCOCC(=O)N(C)C 34a_100000210711_100000692301 [0,2,0,0,0,0|2,0,0]=4 10586 B16R0.224 CCCCCCCCCCOCC(=O)N(C)C 7a_100000210711_100000692301 [0,2,0,0,0,0|2,0,0]=4 10587 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [0,2,0,0,0,0|1,0,0]=3 10588 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [0,2,0,0,0,0|1,0,0]=3 10589 B16R0.224 CCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210320 [0,2,0,0,0,0|1,0,1]=4 10590 B16R0.224 CCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210320 [0,2,0,0,0,0|1,0,1]=4 10591 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [0,2,0,0,0,0|1,0,0]=3 10592 B16R0.224 CCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210320 [0,2,0,0,0,0|1,0,1]=4 10593 B16R0.224 CCCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210320 [0,2,0,0,0,0|2,0,0]=4 10594 B16R0.224 CCCCCCCCCNCCC(=O)N(C)C 2230a_100000212291_100000737620 [0,2,0,0,0,0|2,0,0]=4 10595 B16R0.224 CCCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011214924 [0,2,0,0,0,0|2,0,0]=4 10596 B16R0.224 CCCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011214924 [0,2,0,0,0,0|2,0,0]=4 10597 B16R0.224 CCCCCCCCCOCCC(=O)N(C)C 7a_100000210712_100000737620 [0,2,0,0,0,0|2,0,0]=4 10598 B16R0.224 CCCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210670 [0,2,0,0,0,0|2,0,0]=4 10599 B16R0.224 CCCCCCCCNCCCC(=O)N(C)C 2230a_100000229939_100000737642 [0,2,0,0,0,0|2,0,0]=4 10600 B16R0.224 CCCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210759 [0,2,0,0,0,0|2,0,0]=4 10601 B16R0.224 CCCCCCCCOCCCC(=O)N(C)C 7a_100000210232_100000737642 [0,2,0,0,0,0|2,0,0]=4 10602 B16R0.224 CCCCCCCCSCCCC(=O)N(C)C 62a_100000210759_100000737642 [0,2,0,0,0,0|2,0,0]=4 10603 B16R0.224 CCCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210317 [0,2,0,0,0,0|2,0,0]=4 10604 B16R0.224 CCCCCCCOCCCCC(=O)N(C)C 34a_100000210272_100000752486 [0,2,0,0,0,0|2,0,0]=4 10605 B16R0.224 CCCCCCCOCCCCC(=O)N(C)C 7a_100000210272_100000752486 [0,2,0,0,0,0|2,0,0]=4 10606 B16R0.224 CCCCCCCSCCCCC(=O)N(C)C 62a_100000210614_100000752486 [0,2,0,0,0,0|2,0,0]=4 10607 B16R0.224 CCCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210316 [0,2,0,0,0,0|2,0,0]=4 10608 B16R0.224 CN(C)C(=O)CCCCCCCCCCCO 240690a_100102631434_100000037981 [0,2,0,0,0,0|2,0,0]=4 10609 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813290 [0,2,0,0,0,0|2,0,0]=4 10610 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813290 [0,2,0,0,0,0|2,0,0]=4 10611 B16R0.224 C[C@@H](O)C(=O)CCCCCCCCCCCO 1458a_100000717761_100009812471 [0,2,0,0,0,0|1,0,0]=3 10612 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000717761 [0,2,0,0,0,0|2,0,0]=4 10613 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813290 [0,2,0,0,0,0|2,0,0]=4 10614 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813290 [0,2,0,0,0,0|2,0,0]=4 10615 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [0,2,0,0,0,0|1,0,0]=3 10616 B16R0.224 C[C@H](O)C(=O)CCCCCCCCCCCO 1458a_217856618621_100009812471 [0,2,0,0,0,0|1,0,0]=3 10617 B16R0.224 C[C@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_217856618621 [0,2,0,0,0,0|2,0,0]=4 10618 B16R0.224 C[C@H](OCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813290 [0,2,0,0,0,0|1,0,1]=4 10619 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 2230a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 10620 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 34a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 10621 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 34a_100009813290_100009813875 [0,2,0,0,0,0|2,0,0]=4 10622 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 7a_100009813290_100009813875 [0,2,0,0,0,0|2,0,0]=4 10623 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 34a_200000033068_100009813875 [0,2,0,0,0,0|2,0,0]=4 10624 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 7a_200000033068_100009813875 [0,2,0,0,0,0|2,0,0]=4 10625 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813290_100009813875 [0,2,0,0,0,0|2,0,0]=4 10626 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813875_200000033068 [0,2,0,0,0,0|2,0,0]=4 10627 B16R0.224 NC(=O)[C@@H](N)COCCCCCCCCCO 34a_100000729942_100009813782 [0,2,0,0,0,0|2,0,0]=4 10628 B16R0.224 NCCCCCCCCCCOC(F)C(=O)N 34a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 10629 B16R0.224 NCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066964_100020610796 [0,2,0,0,0,0|1,0,1]=4 10630 B16R0.224 O=C(CCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812471 [0,2,0,0,0,0|1,0,0]=3 10631 B16R0.224 O=C(NCCCCCCCCCCO)C(O)O 240690a_100000066964_100000233687 [0,2,0,0,0,0|2,0,0]=4 10632 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [0,2,0,0,0,0|1,0,0]=3 10633 B16R0.224 O=C([O-])C(F)NCCCCCCCCCCO 34a_100000066964_100020610796 [0,2,0,0,0,0|1,0,1]=4 10634 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCBr 34a_100009813290_100020610796 [0,2,0,0,0,0|1,0,1]=4 10635 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCCl 34a_200000033068_100020610796 [0,2,0,0,0,0|1,0,1]=4 10636 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100009813290_100020610796 [0,2,0,0,0,0|1,0,1]=4 10637 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100020610796_200000033068 [0,2,0,0,0,0|1,0,1]=4 10638 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210303 [0,2,0,0,0,0|0,0,1]=3 10639 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000211992_100010282707 [0,2,0,0,0,0|0,0,1]=3 10640 B16R0.806 CCCC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000747444 [0,2,0,0,0,0|1,0,1]=4 10641 B16R0.806 CCCC(=O)CSCCCCCCC(=O)OC 62a_100000747444_100009815986 [0,2,0,0,0,0|1,0,1]=4 10642 B16R0.806 CCCC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000747444 [0,2,0,0,0,0|1,0,1]=4 10643 B16R0.806 CCCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000211992 [0,2,0,0,0,0|1,0,1]=4 10644 B16R0.806 CCCC(C)CCCOCCCCC(=O)OC 34a_100011713154_100000204269 [0,2,0,0,0,0|1,0,0]=3 10645 B16R0.806 CCCC(C)CCCOCCCCC(=O)OC 7a_100011713154_100000204269 [0,2,0,0,0,0|1,0,0]=3 10646 B16R0.806 CCCC(C)CCCOCCOCC(=O)OC 34a_100011713154_100000090808 [0,2,0,0,0,0|2,0,0]=4 10647 B16R0.806 CCCC(C)CCCOCCOCC(=O)OC 7a_100011713154_100000090808 [0,2,0,0,0,0|2,0,0]=4 10648 B16R0.806 CCCC(C)CCOCCCCCC(=O)OC 34a_100011217855_100009816466 [0,2,0,0,0,0|1,0,0]=3 10649 B16R0.806 CCCC(C)CCOCCCCCC(=O)OC 7a_100011217855_100009816466 [0,2,0,0,0,0|1,0,0]=3 10650 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 34a_100000688023_100009815986 [0,2,0,0,0,0|1,0,0]=3 10651 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 34a_100009863599_100011216630 [0,2,0,0,0,0|1,0,0]=3 10652 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 7a_100000688023_100009815986 [0,2,0,0,0,0|1,0,0]=3 10653 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 7a_100009863599_100011216630 [0,2,0,0,0,0|1,0,0]=3 10654 B16R0.806 CCCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100011216630 [0,2,0,0,0,0|1,0,0]=3 10655 B16R0.806 CCCC(C)CSCCCCCCC(=O)OC 62a_100011216630_100009815986 [0,2,0,0,0,0|1,0,0]=3 10656 B16R0.806 CCCC(C)NCCCCCCCC(=O)OC 2230a_100000741246_100010004213 [0,2,0,0,0,0|1,0,0]=3 10657 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 34a_100000764384_100010004213 [0,2,0,0,0,0|1,0,0]=3 10658 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100000766640 [0,2,0,0,0,0|1,0,0]=3 10659 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 7a_100000764384_100010004213 [0,2,0,0,0,0|1,0,0]=3 10660 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000766640 [0,2,0,0,0,0|1,0,0]=3 10661 B16R0.806 CCCC(C)SCCCCCCCC(=O)OC 62a_100000766640_100010004213 [0,2,0,0,0,0|1,0,0]=3 10662 B16R0.806 CCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000766640 [0,2,0,0,0,0|1,0,0]=3 10663 B16R0.806 CCCN(C)CCCCCCCCC(=O)OC 2230a_100000747261_100010282707 [0,2,0,0,0,0|1,0,0]=3 10664 B16R0.806 CCCN(C)CCCCCCCCC(=O)OC 269982a_100000747261_100010282707 [0,2,0,0,0,0|1,0,0]=3 10665 B16R0.806 CCC[C@H](N)CCOCCCCCC(=O)OC 34a_100015193777_100009816466 [0,2,0,0,0,0|1,0,0]=3 10666 B16R0.806 CCC[C@H](N)COCCCCCCC(=O)OC 34a_100000732646_100009815986 [0,2,0,0,0,0|1,0,0]=3 10667 B16R0.806 CCNC(=O)CCCCCCCCC(=O)OC 11a_100015525214_100000036616 [0,2,0,0,0,0|1,0,1]=4 10668 B16R0.806 CCNC(=O)CCCCCCCCC(=O)OC 240690a_100015525214_100000036616 [0,2,0,0,0,0|1,0,1]=4 10669 B16R0.806 CCOC(=O)CCCCCCCCC(=O)CO 1458a_100000210174_100010175975 [0,2,0,0,0,0|1,0,1]=4 10670 B16R0.806 COC(=O)CCCCCCCCC(=O)CCF 1458a_100000036616_100011217306 [0,2,0,0,0,0|1,0,1]=4 10671 B16R0.806 COC(=O)CCCCCCCCC(=O)CCO 1458a_100000036616_100000211926 [0,2,0,0,0,0|1,0,1]=4 10672 B16R0.806 COC(=O)CCCCCCCCC(=O)CCO 1458a_100011216618_100010282707 [0,2,0,0,0,0|1,0,1]=4 10673 B16R0.806 COC(=O)CCCCCCCCC(=O)CSC 1458a_100000184570_100010282707 [0,2,0,0,0,0|1,0,1]=4 10674 B16R0.806 COC(=O)CCCCCCCCN(C)CCO 2230a_100000210263_100010282707 [0,2,0,0,0,0|2,0,0]=4 10675 B16R0.806 COC(=O)CCCCCCCCN(C)CCO 269982a_100000210263_100010282707 [0,2,0,0,0,0|2,0,0]=4 10676 B16R0.806 COC(=O)CCCCCCCN[C@H](C)CCO 2230a_100000706166_100010004213 [0,2,0,0,0,0|2,0,0]=4 10677 B16R0.806 COC(=O)CCCCCCCN[C@H](C)CCO 34a_100000706166_100010004213 [0,2,0,0,0,0|2,0,0]=4 10678 B16R0.806 COC(=O)CCCCCCCOC(C)CCBr 34a_100012276601_100010004213 [0,2,0,0,0,0|2,0,0]=4 10679 B16R0.806 COC(=O)CCCCCCCOC(C)CCO 34a_100011022521_100009893172 [0,2,0,0,0,0|2,0,0]=4 10680 B16R0.806 COC(=O)CCCCCCCOC(C)CCO 7a_100011022521_100009893172 [0,2,0,0,0,0|2,0,0]=4 10681 B16R0.806 COC(=O)CCCCCCCSC(C)CCO 62a_100009893172_100010004213 [0,2,0,0,0,0|2,0,0]=4 10682 B16R0.806 COC(=O)CCCCCCCSC(C)CCO 62a_100010004213_100009893172 [0,2,0,0,0,0|2,0,0]=4 10683 B16R0.806 COC(=O)CCCCCCOCC(C)CCN 34a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 10684 B16R0.806 COCC(=O)CCCCCCCCC(=O)OC 1458a_100000210968_100010282707 [0,2,0,0,0,0|1,0,1]=4 10685 B16R0.806 COCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100000765312 [0,2,0,0,0,0|2,0,0]=4 10686 B16R0.806 COCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000765312 [0,2,0,0,0,0|2,0,0]=4 10687 B16R0.806 COCC(C)SCCCCCCCC(=O)OC 62a_100000765312_100010004213 [0,2,0,0,0,0|2,0,0]=4 10688 B16R0.806 COCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000765312 [0,2,0,0,0,0|2,0,0]=4 10689 B16R0.806 COCC(N)COCCCCCCC(=O)OC 34a_100000724102_100009815986 [0,2,0,0,0,0|2,0,0]=4 10690 B16R0.806 COCC(O)CNCCCCCCC(=O)OC 2230a_100000756049_100009815986 [0,2,0,0,0,0|2,0,0]=4 10691 B16R0.806 COCC(O)CNCCCCCCC(=O)OC 34a_100000756049_100009815986 [0,2,0,0,0,0|2,0,0]=4 10692 B16R0.806 COCC(O)COCCCCCCC(=O)OC 34a_100009863599_100011215053 [0,2,0,0,0,0|2,0,0]=4 10693 B16R0.806 COCC(O)COCCCCCCC(=O)OC 7a_100009863599_100011215053 [0,2,0,0,0,0|2,0,0]=4 10694 B16R0.806 COCC(O)CSCCCCCCC(=O)OC 62a_100009815986_100011215053 [0,2,0,0,0,0|2,0,0]=4 10695 B16R0.806 COCC(O)CSCCCCCCC(=O)OC 62a_100011215053_100009815986 [0,2,0,0,0,0|2,0,0]=4 10696 B16R0.806 COC[C@@H](C)NCCCCCCCC(=O)OC 2230a_100000764878_100010004213 [0,2,0,0,0,0|2,0,0]=4 10697 B16R0.806 COC[C@@H](C)OCCCCCCCC(=O)OC 34a_100011934205_100010004213 [0,2,0,0,0,0|2,0,0]=4 10698 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210188_100000741757 [0,2,0,0,0,0|1,0,1]=4 10699 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210188_100011218270 [0,2,0,0,0,0|0,0,1]=3 10700 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210759 [0,2,0,0,0,0|0,0,1]=3 10701 B16R0.1817 CCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210759 [0,2,0,0,0,0|1,0,1]=4 10702 B16R0.1817 CCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210188 [0,2,0,0,0,0|1,0,1]=4 10703 B16R0.1817 CCCCCCCCC(C)CNCC(=O)NC 270004a_100000693194_100011995885 [0,2,0,0,0,0|2,0,0]=4 10704 B16R0.1817 CCCCCCCCC(C)COCC(=O)CC 7a_200012125181_100000747405 [0,2,0,0,0,0|2,0,0]=4 10705 B16R0.1817 CCCCCCCCC(C)COCC(=O)NC 34a_200012125181_100000183359 [0,2,0,0,0,0|2,0,0]=4 10706 B16R0.1817 CCCCCCCCC(C)COCC(=O)NC 7a_200012125181_100000183359 [0,2,0,0,0,0|2,0,0]=4 10707 B16R0.1817 CCCCCCCCC(C)COCC(=O)OC 34a_200012125181_100000747449 [0,2,0,0,0,0|1,0,0]=3 10708 B16R0.1817 CCCCCCCCC(C)COCC(=O)OC 7a_200012125181_100000747449 [0,2,0,0,0,0|1,0,0]=3 10709 B16R0.1817 CCCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100011216694 [0,2,0,0,0,0|2,0,0]=4 10710 B16R0.1817 CCCCCCCCC(C)OCCC(=O)NC 34a_100000210740_100012179268 [0,2,0,0,0,0|2,0,0]=4 10711 B16R0.1817 CCCCCCCCC(C)OCCC(=O)NC 7a_100000210740_100000737683 [0,2,0,0,0,0|2,0,0]=4 10712 B16R0.1817 CCCCCCCCC(C)OCCC(=O)OC 34a_100000210740_100000742370 [0,2,0,0,0,0|1,0,0]=3 10713 B16R0.1817 CCCCCCCCC(C)OCCC(=O)OC 7a_100000210740_100000204255 [0,2,0,0,0,0|1,0,0]=3 10714 B16R0.1817 CCCCCCCCN(C)CCCC(=O)NC 2230a_100000207567_100000741757 [0,2,0,0,0,0|2,0,0]=4 10715 B16R0.1817 CCCCCCCCN(C)CCCC(=O)NC 269982a_100000207567_100000741757 [0,2,0,0,0,0|2,0,0]=4 10716 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 2230a_100000207567_100011218270 [0,2,0,0,0,0|1,0,0]=3 10717 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 269982a_100000207567_100011218270 [0,2,0,0,0,0|1,0,0]=3 10718 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210759 [0,2,0,0,0,0|1,0,0]=3 10719 B16R0.1817 CCCCCCCNC(=O)CCCC(=O)OC 11a_100000229938_100000239890 [0,2,0,0,0,0|1,0,1]=4 10720 B16R0.1817 CCCCCCCNC(=O)CCCC(=O)OC 1626a_100000229938_100000239890 [0,2,0,0,0,0|1,0,1]=4 10721 B16R0.1817 CCCCCCCNC(=O)CCCC(=O)OC 240690a_100000229938_100000239890 [0,2,0,0,0,0|1,0,1]=4 10722 B16R0.1817 CCCCCCCNC(=O)CCCC(=O)OC 527a_100000229938_100000239890 [0,2,0,0,0,0|1,0,1]=4 10723 B16R0.1817 COC(=O)CCCC(=O)CCCCCCCO 1458a_100000239890_100000760002 [0,2,0,0,0,0|1,0,1]=4 10724 B16R0.1817 COC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011218270 [0,2,0,0,0,0|1,0,1]=4 10725 B16R0.1817 COC(=O)CCCN(C)CCCCCCCO 269982a_100000739225_100000760002 [0,2,0,0,0,0|2,0,0]=4 10726 B16R0.1817 COCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011998445 [0,2,0,0,0,0|1,0,1]=4 10727 B16R0.1817 COCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100011998445 [0,2,0,0,0,0|2,0,0]=4 10728 B16R0.3257 CCCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210326 [0,2,0,0,0,0|0,0,1]=3 10729 B16R0.3257 CCCCCC(=O)CCCCCCC(=O)OC 1458a_100000212188_100009815986 [0,2,0,0,0,0|0,0,1]=3 10730 B16R0.3257 CCCCCC(=O)COCCCCC(=O)OC 34a_100000059025_200012276598 [0,2,0,0,0,0|1,0,1]=4 10731 B16R0.3257 CCCCCC(=O)COCCCCC(=O)OC 7a_100000059025_200012276598 [0,2,0,0,0,0|1,0,1]=4 10732 B16R0.3257 CCCCCC(=O)CSCCCCC(=O)OC 62a_100000204269_200012276598 [0,2,0,0,0,0|1,0,1]=4 10733 B16R0.3257 CCCCCC(=O)CSCCCCC(=O)OC 62a_200012276598_100000204269 [0,2,0,0,0,0|1,0,1]=4 10734 B16R0.3257 CCCCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000212188 [0,2,0,0,0,0|1,0,1]=4 10735 B16R0.3257 CCCCCC(C)NCCCCCC(=O)OC 2230a_100000211957_100009816466 [0,2,0,0,0,0|1,0,0]=3 10736 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011218191 [0,2,0,0,0,0|1,0,0]=3 10737 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 34a_100011215632_100009816466 [0,2,0,0,0,0|1,0,0]=3 10738 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011218191 [0,2,0,0,0,0|1,0,0]=3 10739 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 7a_100011215632_100009816466 [0,2,0,0,0,0|1,0,0]=3 10740 B16R0.3257 CCCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011218191 [0,2,0,0,0,0|1,0,0]=3 10741 B16R0.3257 CCCCCC(C)SCCCCCC(=O)OC 62a_200011218191_100009816466 [0,2,0,0,0,0|1,0,0]=3 10742 B16R0.3257 CCCCCN(C)CCCCCCC(=O)OC 2230a_100000223495_100009815986 [0,2,0,0,0,0|1,0,0]=3 10743 B16R0.3257 CCCCCN(C)CCCCCCC(=O)OC 269982a_100000223495_100009815986 [0,2,0,0,0,0|1,0,0]=3 10744 B16R0.3257 CCCCNC(=O)CCCCCCC(=O)OC 11a_100000102301_100000036694 [0,2,0,0,0,0|1,0,1]=4 10745 B16R0.3257 CCCCNC(=O)CCCCCCC(=O)OC 1626a_100000102301_100000036694 [0,2,0,0,0,0|1,0,1]=4 10746 B16R0.3257 CCCCNC(=O)CCCCCCC(=O)OC 240690a_100000102301_100000036694 [0,2,0,0,0,0|1,0,1]=4 10747 B16R0.3257 CCCOCC(=O)CCCCCCC(=O)OC 1458a_100000745993_100009815986 [0,2,0,0,0,0|1,0,1]=4 10748 B16R0.3257 CCCSCC(=O)CCCCCCC(=O)OC 1458a_100000217233_100009815986 [0,2,0,0,0,0|1,0,1]=4 10749 B16R0.3257 CCOCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100011215890 [0,2,0,0,0,0|1,0,1]=4 10750 B16R0.3257 CCOCCC(=O)CCCCCCC(=O)OC 1458a_100000749530_100009815986 [0,2,0,0,0,0|1,0,1]=4 10751 B16R0.3257 CCSCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000757381 [0,2,0,0,0,0|1,0,1]=4 10752 B16R0.3257 CCSCCC(=O)CCCCCCC(=O)OC 1458a_100000230768_100009815986 [0,2,0,0,0,0|1,0,1]=4 10753 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCF 1458a_100000036694_100000729493 [0,2,0,0,0,0|1,0,1]=4 10754 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCO 1458a_100000036694_100000210776 [0,2,0,0,0,0|1,0,1]=4 10755 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCO 1458a_100000695505_100009815986 [0,2,0,0,0,0|1,0,1]=4 10756 B16R0.3257 COC(=O)CCCCCCC(=O)CCCSC 1458a_100000173376_100009815986 [0,2,0,0,0,0|1,0,1]=4 10757 B16R0.3257 COC(=O)CCCCCCN(C)CCCCO 2230a_100000717598_100009815986 [0,2,0,0,0,0|2,0,0]=4 10758 B16R0.3257 COC(=O)CCCCCCN(C)CCCCO 269982a_100000717598_100009815986 [0,2,0,0,0,0|2,0,0]=4 10759 B16R0.3257 COC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000204269 [0,2,0,0,0,0|2,0,0]=4 10760 B16R0.3257 COCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000740836 [0,2,0,0,0,0|1,0,1]=4 10761 B16R0.3257 COCCCC(=O)CCCCCCC(=O)OC 1458a_100000741012_100009815986 [0,2,0,0,0,0|1,0,1]=4 10762 B16R0.3257 COCCCC(C)OCCCCCC(=O)OC 34a_200011539412_100009816466 [0,2,0,0,0,0|2,0,0]=4 10763 B16R0.3257 COCCCC(C)OCCCCCC(=O)OC 7a_200011539412_100009816466 [0,2,0,0,0,0|2,0,0]=4 10764 B16R0.3257 COCCCN(C)CCCCCCC(=O)OC 2230a_100000224831_100009815986 [0,2,0,0,0,0|2,0,0]=4 10765 B16R0.3257 COCCCN(C)CCCCCCC(=O)OC 269982a_100000224831_100009815986 [0,2,0,0,0,0|2,0,0]=4 10766 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011216125 [0,2,0,0,0,0|1,0,1]=4 10767 B16R0.3292 CCCCCCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011216125 [0,2,0,0,0,0|1,0,1]=4 10768 B16R0.6606 CCCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210670 [0,2,0,0,0,0|1,0,1]=4 10769 B16R0.6606 CCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210670 [0,2,0,0,0,0|0,0,1]=3 10770 B16R0.6606 CCCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210670 [0,2,0,0,0,0|1,0,1]=4 10771 B16R0.6606 CCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210558 [0,2,0,0,0,0|1,0,1]=4 10772 B16R0.6606 CCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_200010990708 [0,2,0,0,0,0|1,0,1]=4 10773 B16R0.6606 CCCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011215753 [0,2,0,0,0,0|2,0,0]=4 10774 B16R0.6606 CCCCCCCCCC(C)OCC(=O)CC 7a_100011218016_100000747405 [0,2,0,0,0,0|2,0,0]=4 10775 B16R0.6606 CCCCCCCCCC(C)OCC(=O)NC 34a_100011218016_100000183359 [0,2,0,0,0,0|2,0,0]=4 10776 B16R0.6606 CCCCCCCCCC(C)OCC(=O)NC 7a_100011218016_100000183359 [0,2,0,0,0,0|2,0,0]=4 10777 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 34a_100011218016_100000747449 [0,2,0,0,0,0|1,0,0]=3 10778 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 7a_100011218016_100000747449 [0,2,0,0,0,0|1,0,0]=3 10779 B16R0.6606 CCCCCCCCCN(C)CCC(=O)NC 2230a_100000232482_100000737683 [0,2,0,0,0,0|2,0,0]=4 10780 B16R0.6606 CCCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100011214924 [0,2,0,0,0,0|2,0,0]=4 10781 B16R0.6606 CCCCCCCCCN(C)CCC(=O)NC 269982a_100000232482_100000737683 [0,2,0,0,0,0|2,0,0]=4 10782 B16R0.6606 CCCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210670 [0,2,0,0,0,0|2,0,0]=4 10783 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 2230a_100000232482_100000204255 [0,2,0,0,0,0|1,0,0]=3 10784 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100000232482_100000204255 [0,2,0,0,0,0|1,0,0]=3 10785 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210670 [0,2,0,0,0,0|1,0,0]=3 10786 B16R0.6606 CCCCCCCCNC(=O)CCC(=O)OC 11a_100000229939_100000187943 [0,2,0,0,0,0|1,0,1]=4 10787 B16R0.6606 CCCCCCCCNC(=O)CCC(=O)OC 1626a_100000229939_100000187943 [0,2,0,0,0,0|1,0,1]=4 10788 B16R0.6606 CCCCCCCCNC(=O)CCC(=O)OC 240690a_100000229939_100000187943 [0,2,0,0,0,0|1,0,1]=4 10789 B16R0.6606 CCCCCCCCNC(=O)CCC(=O)OC 527a_100000229939_100000187943 [0,2,0,0,0,0|1,0,1]=4 10790 B16R0.6606 CCCCCCCNCC(=O)CCC(=O)OC 2230a_100000229938_100000691467 [0,2,0,0,0,0|1,0,1]=4 10791 B16R0.6606 CCCCCCCOCC(=O)CCC(=O)OC 34a_100000210272_100000691467 [0,2,0,0,0,0|1,0,1]=4 10792 B16R0.6606 CCCCCCCOCC(=O)CCC(=O)OC 7a_100000210272_100000691467 [0,2,0,0,0,0|1,0,1]=4 10793 B16R0.6606 CCCCCCCSCC(=O)CCC(=O)OC 62a_100000210614_100000691467 [0,2,0,0,0,0|1,0,1]=4 10794 B16R0.6606 CCCCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210316 [0,2,0,0,0,0|1,0,1]=4 10795 B16R0.6606 COC(=O)CCC(=O)CCCCCCCCO 1458a_100000187943_100000033203 [0,2,0,0,0,0|1,0,1]=4 10796 B16R0.6606 COC(=O)CCN(C)CCCCCCCCO 269982a_100025711912_100000033203 [0,2,0,0,0,0|2,0,0]=4 10797 B16R0.69 CCCCCCCCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100011995885 [0,2,0,0,0,0|2,0,0]=4 10798 B16R0.69 CCCCCCCCC(C)COC(C)C(=O)C 7a_200012125181_100000179758 [0,2,0,0,0,0|2,0,0]=4 10799 B16R0.69 CCCCCCCCC(C)COC(C)C(=O)N 34a_200012125181_100000702099 [0,2,0,0,0,0|2,0,0]=4 10800 B16R0.69 CCCCCCCCC(C)COC(C)C(=O)N 7a_200012125181_100000702099 [0,2,0,0,0,0|2,0,0]=4 10801 B16R0.69 CCCCCCCCC(C)COC(F)C(=O)N 34a_200012125181_100009813875 [0,2,0,0,0,0|2,0,0]=4 10802 B16R0.69 CCCCCCCCC(C)COC(F)C(=O)N 7a_200012125181_100009813875 [0,2,0,0,0,0|2,0,0]=4 10803 B16R0.69 CCCCCCCCC(C)COC(F)C(=O)[O-] 34a_200012125181_100020610796 [0,2,0,0,0,0|1,0,1]=4 10804 B16R0.223 CC(C)(CNCCCCCCCCO)C(=O)O 269956a_100000693527_100000033203 [0,2,0,0,0,0|2,0,0]=4 10805 B16R0.223 CCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000684558_100000702505 [0,2,0,0,0,0|2,0,0]=4 10806 B16R0.223 CCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210320 [0,2,0,0,0,0|2,0,0]=4 10807 B16R0.223 CCCCCCCCCCNC(C)(C)C(=O)N 34a_100000684558_100000702505 [0,2,0,0,0,0|2,0,0]=4 10808 B16R0.223 CCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000210320 [0,2,0,0,0,0|2,0,0]=4 10809 B16R0.223 CCCCCCCCCCNC(F)(F)C(=O)[O-] 34a_100000684558_100020612412 [0,2,0,0,0,0|1,0,1]=4 10810 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210320 [0,2,0,0,0,0|2,0,0]=4 10811 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)C 7a_100000210711_100000075568 [0,2,0,0,0,0|2,0,0]=4 10812 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210320 [0,2,0,0,0,0|2,0,0]=4 10813 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210711_100000702505 [0,2,0,0,0,0|2,0,0]=4 10814 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000210320 [0,2,0,0,0,0|2,0,0]=4 10815 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210711_100000702505 [0,2,0,0,0,0|2,0,0]=4 10816 B16R0.223 CCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210320 [0,2,0,0,0,0|2,0,0]=4 10817 B16R0.223 CCCCCCCCCCOC(F)(F)C(=O)N 7a_100000210711_100009811971 [0,2,0,0,0,0|2,0,0]=4 10818 B16R0.223 CCCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210711_100020612412 [0,2,0,0,0,0|1,0,1]=4 10819 B16R0.223 CCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210320 [0,2,0,0,0,0|2,0,0]=4 10820 B16R0.223 CCCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210320 [0,2,0,0,0,0|2,0,0]=4 10821 B16R0.223 CCCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210320 [0,2,0,0,0,0|1,0,1]=4 10822 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100011214924 [0,2,0,0,0,0|2,0,0]=4 10823 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)N 34a_100000212291_200009895572 [0,2,0,0,0,0|2,0,0]=4 10824 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100011214924 [0,2,0,0,0,0|2,0,0]=4 10825 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210670 [0,2,0,0,0,0|1,0,0]=3 10826 B16R0.223 CCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210670 [0,2,0,0,0,0|1,0,0]=3 10827 B16R0.223 CCCCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210670 [0,2,0,0,0,0|2,0,0]=4 10828 B16R0.223 CCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210712_200009895572 [0,2,0,0,0,0|2,0,0]=4 10829 B16R0.223 CCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210670 [0,2,0,0,0,0|2,0,0]=4 10830 B16R0.223 O=C(O)C(F)(F)CNCCCCCCCCO 269956a_100000734215_100000033203 [0,2,0,0,0,0|2,0,0]=4 10831 B16R0.656 C=C[C@H](NCCCCCCCCCC)C(=O)O 269956a_100016992060_100000210320 [0,2,0,0,0,0|1,0,0]=3 10832 B16R0.656 C=C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100016992060_100009813782 [0,2,0,0,0,0|2,0,0]=4 10833 B16R0.656 CCCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210320 [0,2,0,0,0,0|2,0,0]=4 10834 B16R0.656 CCCCCCCCCCNC(CC)C(=O)N 2230a_100000684558_100000750255 [0,2,0,0,0,0|2,0,0]=4 10835 B16R0.656 CCCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210320 [0,2,0,0,0,0|2,0,0]=4 10836 B16R0.656 CCCCCCCCCCNC(CC)C(=O)N 34a_100000684558_100000750255 [0,2,0,0,0,0|2,0,0]=4 10837 B16R0.656 CCCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100000210320 [0,2,0,0,0,0|2,0,0]=4 10838 B16R0.656 CCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210320 [0,2,0,0,0,0|1,0,0]=3 10839 B16R0.656 CCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210320 [0,2,0,0,0,0|2,0,0]=4 10840 B16R0.656 CCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210320 [0,2,0,0,0,0|2,0,0]=4 10841 B16R0.656 CCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210320 [0,2,0,0,0,0|1,0,0]=3 10842 B16R0.656 CCCCCCCCCCOC(CC)C(=O)N 34a_100000210711_100000750255 [0,2,0,0,0,0|2,0,0]=4 10843 B16R0.656 CCCCCCCCCCOC(CC)C(=O)N 7a_100000210711_100000750255 [0,2,0,0,0,0|2,0,0]=4 10844 B16R0.656 CCCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100000210320 [0,2,0,0,0,0|2,0,0]=4 10845 B16R0.656 CC[C@@H](NCCCCCCCCCO)C(=O)O 269956a_100000747097_100009813782 [0,2,0,0,0,0|2,0,0]=4 10846 B16R0.656 O=C(O)C(CO)NCCCCCCCCCO 269956a_100000187304_100009813782 [0,2,0,0,0,0|2,0,0]=4 10847 B16R0.1191 CCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011215753 [0,2,0,0,0,0|2,0,0]=4 10848 B16R0.1191 CCCCCCCCCC(C)OC(C)C(=O)C 7a_100011218016_100000179758 [0,2,0,0,0,0|2,0,0]=4 10849 B16R0.1191 CCCCCCCCCC(C)OC(C)C(=O)N 34a_100011218016_100000702099 [0,2,0,0,0,0|2,0,0]=4 10850 B16R0.1191 CCCCCCCCCC(C)OC(C)C(=O)N 7a_100011218016_100000702099 [0,2,0,0,0,0|2,0,0]=4 10851 B16R0.1191 CCCCCCCCCC(C)OC(F)C(=O)N 34a_100011218016_100009813875 [0,2,0,0,0,0|2,0,0]=4 10852 B16R0.1191 CCCCCCCCCC(C)OC(F)C(=O)N 7a_100011218016_100009813875 [0,2,0,0,0,0|2,0,0]=4 10853 B16R0.1191 CCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011218016_100020610796 [0,2,0,0,0,0|1,0,1]=4 10854 B16R0.725 CCCCCCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100011216694 [0,2,0,0,0,0|2,0,0]=4 10855 B16R0.1192 CCCCCCCCCN(CC)CCC(=O)N 2230a_100020645749_100011214924 [0,2,0,0,0,0|2,0,0]=4 10856 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [0,2,0,0,0,0|1,0,0]=3 10857 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [0,2,0,0,0,0|1,0,1]=4 10858 B16R0.3183 CCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210319 [0,2,0,0,0,0|1,0,1]=4 10859 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210319 [0,2,0,0,0,0|1,0,1]=4 10860 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210319 [0,2,0,0,0,0|1,0,1]=4 10861 B16R0.3183 CCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210319 [0,2,0,0,0,0|1,0,1]=4 10862 B16R0.3183 CCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210319 [0,2,0,0,0,0|1,0,1]=4 10863 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210375 [0,2,0,0,0,0|1,0,1]=4 10864 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210375 [0,2,0,0,0,0|1,0,1]=4 10865 B16R0.3183 CCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_200011219864 [0,2,0,0,0,0|1,0,1]=4 10866 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [0,2,0,0,0,0|1,0,0]=3 10867 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [0,2,0,0,0,0|1,0,0]=3 10868 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [0,2,0,0,0,0|0,0,1]=3 10869 B16R0.3183 CCCCCCCCCCC(C)OCC(C)O 34a_100011215000_100011218427 [0,2,0,0,0,0|1,0,1]=4 10870 B16R0.3183 CCCCCCCCCCC(C)OCC(C)O 7a_100011215000_100011218427 [0,2,0,0,0,0|1,0,1]=4 10871 B16R0.3183 CCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011215000_100009817552 [0,2,0,0,0,0|1,0,1]=4 10872 B16R0.3183 CCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011215000_100009817552 [0,2,0,0,0,0|1,0,1]=4 10873 B16R0.3183 CCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011215000_100000761209 [0,2,0,0,0,0|1,0,1]=4 10874 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [0,2,0,0,0,0|1,0,0]=3 10875 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [0,2,0,0,0,0|1,0,0]=3 10876 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [0,2,0,0,0,0|1,0,0]=3 10877 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [0,2,0,0,0,0|1,0,0]=3 10878 B16R0.3183 CCCCCCCCCCN(C)CCC(C)O 2230a_100000207566_100012276601 [0,2,0,0,0,0|1,0,1]=4 10879 B16R0.3183 CCCCCCCCCCN(C)CCC(C)O 269982a_100000207566_100012276601 [0,2,0,0,0,0|1,0,1]=4 10880 B16R0.3183 CCCCCCCCCCN(C)COC(=O)C 269982a_100000207566_100000076356 [0,2,0,0,0,0|2,0,0]=4 10881 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 240690a_100000212291_100011215257 [0,2,0,0,0,0|1,0,1]=4 10882 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 527a_100000212291_100011215257 [0,2,0,0,0,0|1,0,1]=4 10883 B16R0.3183 CCCCCCCCCNC(C)COC(=O)C 270004a_100000212291_100000000629 [0,2,0,0,0,0|2,0,0]=4 10884 B16R0.3183 CCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210759 [0,2,0,0,0,0|1,0,1]=4 10885 B16R0.3183 CCCCCCCCNCC(C)CSC(=O)C 2230a_100000229939_200000116872 [0,2,0,0,0,0|2,0,0]=4 10886 B16R0.3183 CCCCCCCCNCC(C)CSC(=O)C 34a_100000229939_200000116872 [0,2,0,0,0,0|2,0,0]=4 10887 B16R0.3183 CCCCCCCCNCC(O)COC(=O)C 34a_100000229939_200000139349 [0,2,0,0,0,0|2,0,0]=4 10888 B16R0.3183 CCCCCCCCOCC(C)CSC(=O)C 34a_100000210232_200000116872 [0,2,0,0,0,0|2,0,0]=4 10889 B16R0.3183 CCCCCCCCOCC(C)CSC(=O)C 7a_100000210232_200000116872 [0,2,0,0,0,0|2,0,0]=4 10890 B16R0.3183 CCCCCCCCOCC(O)COC(=O)C 34a_100000210232_200000139349 [0,2,0,0,0,0|2,0,0]=4 10891 B16R0.3183 CCCCCCCCOCC(O)COC(=O)C 7a_100000210232_200000139349 [0,2,0,0,0,0|2,0,0]=4 10892 B16R0.3183 CCCCCCCCSCC(O)COC(=O)C 62a_100000210759_200000139349 [0,2,0,0,0,0|2,0,0]=4 10893 B16R0.3183 CCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210317 [0,2,0,0,0,0|2,0,0]=4 10894 B16R0.3183 CCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210614 [0,2,0,0,0,0|1,0,1]=4 10895 B16R0.3183 CN(CCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009813782 [0,2,0,0,0,0|2,0,0]=4 10896 B16R0.3183 NC(=O)CCC(=O)CCCCCCCCCO 1458a_100011215257_100009813782 [0,2,0,0,0,0|1,0,1]=4 10897 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [0,2,0,0,0,0|1,0,0]=3 10898 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [0,2,0,0,0,0|1,0,0]=3 10899 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [0,2,0,0,0,0|1,0,0]=3 10900 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [0,2,0,0,0,0|1,0,0]=3 10901 B16R0.131 CCCCC(C)CCCCOCCCC(C)O 34a_200011021034_200000718107 [0,2,0,0,0,0|1,0,1]=4 10902 B16R0.131 CCCCC(C)CCCCOCCCC(C)O 7a_200011021034_200000718107 [0,2,0,0,0,0|1,0,1]=4 10903 B16R0.131 CCCCC(C)CCCCOCCNC(=O)C 7a_200011021034_100000189650 [0,2,0,0,0,0|2,0,0]=4 10904 B16R0.131 CCCCC(C)CCCCOCCNC(=O)N 7a_200011021034_200000034859 [0,2,0,0,0,0|2,0,0]=4 10905 B16R0.131 CCCCC(C)CCCCOCCOC(=O)C 34a_200011021034_100009814007 [0,2,0,0,0,0|2,0,0]=4 10906 B16R0.131 CCCCC(C)CCCCOCCOC(=O)C 7a_200011021034_100009814007 [0,2,0,0,0,0|2,0,0]=4 10907 B16R0.131 CCCCC(C)CCCCOCCOC(=O)N 34a_200011021034_200011214921 [0,2,0,0,0,0|2,0,0]=4 10908 B16R0.131 CCCCC(C)CCCCOCCOC(=O)N 7a_200011021034_200011214921 [0,2,0,0,0,0|2,0,0]=4 10909 B16R0.131 CCCCC(C)COCCCCCCB(O)O 34a_100011995851_100009817187 [0,2,0,0,0,0|1,0,1]=4 10910 B16R0.131 CCCCC(C)COCCCCCCB(O)O 7a_100011995851_100009817187 [0,2,0,0,0,0|1,0,1]=4 10911 B16R0.131 CCCCC(C)COCCCCCOC(=O)C 34a_100011995851_100000033007 [0,2,0,0,0,0|2,0,0]=4 10912 B16R0.131 CCCCC(C)COCCCCCOC(=O)C 7a_100011995851_100000033007 [0,2,0,0,0,0|2,0,0]=4 10913 B16R0.131 CCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_200011215066 [0,2,0,0,0,0|2,0,0]=4 10914 B16R0.131 CCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000210087 [0,2,0,0,0,0|2,0,0]=4 10915 B16R0.131 CCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_200011215066 [0,2,0,0,0,0|2,0,0]=4 10916 B16R0.131 CCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000210087 [0,2,0,0,0,0|2,0,0]=4 10917 B16R0.131 CCCCC(C)NCCOCCOCC(=O)O 269956a_100009854275_200011215066 [0,2,0,0,0,0|2,0,0]=4 10918 B16R0.131 CCCC[C@H](N)COCCCCCCB(O)O 34a_100011934283_100009817187 [0,2,0,0,0,0|1,0,1]=4 10919 B16R0.131 CCCC[C@H](N)COCCCCCOC(=O)C 34a_100011934283_100000033007 [0,2,0,0,0,0|2,0,0]=4 10920 B16R0.292 CCCC(CCOCCCCCC(=O)N)SC 34a_100000032865_100009817443 [0,2,0,0,0,0|2,0,0]=4 10921 B16R0.292 CCCC(CCOCCCCCC(=O)N)SC 7a_100000032865_100009817443 [0,2,0,0,0,0|2,0,0]=4 10922 B16R0.5761 CCCC(C)CCC(C)NCCCCC(=O)N 270004a_100000696515_200011216527 [0,2,0,0,0,0|2,0,0]=4 10923 B16R0.75 CCCCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011218727 [0,2,0,0,0,0|1,0,0]=3 10924 B16R0.1138 CCCCCCC(O)C(=O)CCCCC(=O)C 1458a_100011215828_100000735457 [0,2,0,0,0,0|1,0,1]=4 10925 B16R0.1522 C=CC(CCCCCCC)OCCCC(=O)C 34a_200011934235_100000685027 [0,2,0,0,0,0|2,0,0]=4 10926 B16R0.1522 C=CC(CCCCCCC)OCCCC(=O)C 7a_200011934235_100011215641 [0,2,0,0,0,0|2,0,0]=4 10927 B16R0.1522 C=CC(CCCCCCC)OCCCC(=O)N 34a_200011934235_100102525003 [0,2,0,0,0,0|2,0,0]=4 10928 B16R0.1522 C=CC(CCCCCCC)OCCCC(=O)N 7a_200011934235_100102525003 [0,2,0,0,0,0|2,0,0]=4 10929 B16R0.1522 CCCCCCCC(CC)OCCCC(=O)C 34a_200011217053_100000685027 [0,2,0,0,0,0|2,0,0]=4 10930 B16R0.1522 CCCCCCCC(CC)OCCCC(=O)C 7a_200011217053_100011215641 [0,2,0,0,0,0|2,0,0]=4 10931 B16R0.1522 CCCCCCCC(CC)OCCCC(=O)N 34a_200011217053_100102525003 [0,2,0,0,0,0|2,0,0]=4 10932 B16R0.1522 CCCCCCCC(CC)OCCCC(=O)N 7a_200011217053_100102525003 [0,2,0,0,0,0|2,0,0]=4 10933 B16R0.1522 CCCCCCCN(CC)CCCCC(=O)C 269982a_100000228213_100000735457 [0,2,0,0,0,0|2,0,0]=4 10934 B16R0.1820 CC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000735457 [0,2,0,0,0,0|1,0,1]=4 10935 B16R0.1820 CCCCCCCCC(=O)CCCCB(O)O 1458a_100000210188_200009817182 [0,2,0,0,0,0|1,0,1]=4 10936 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [0,2,0,0,0,0|1,0,0]=3 10937 B16R0.1820 CCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210759 [0,2,0,0,0,0|1,0,1]=4 10938 B16R0.1820 CCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210188_100000042594 [0,2,0,0,0,0|1,0,1]=4 10939 B16R0.1820 CCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210188_100000038929 [0,2,0,0,0,0|1,0,1]=4 10940 B16R0.1820 CCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210188_100000076697 [0,2,0,0,0,0|1,0,1]=4 10941 B16R0.1820 CCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210759 [0,2,0,0,0,0|1,0,1]=4 10942 B16R0.1820 CCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210188 [0,2,0,0,0,0|1,0,1]=4 10943 B16R0.1820 CCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210188 [0,2,0,0,0,0|1,0,1]=4 10944 B16R0.1820 CCCCCCCCC(C)CNCCC(C)O 270004a_200000755665_100011995885 [0,2,0,0,0,0|1,0,1]=4 10945 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [0,2,0,0,0,0|1,0,0]=3 10946 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [0,2,0,0,0,0|1,0,0]=3 10947 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [0,2,0,0,0,0|1,0,0]=3 10948 B16R0.1820 CCCCCCCCC(C)COCCC(C)O 34a_200012125181_100012276601 [0,2,0,0,0,0|1,0,1]=4 10949 B16R0.1820 CCCCCCCCC(C)COCCC(C)O 7a_200012125181_100012276601 [0,2,0,0,0,0|1,0,1]=4 10950 B16R0.1820 CCCCCCCCC(C)COCOC(=O)C 34a_200012125181_100009813279 [0,2,0,0,0,0|2,0,0]=4 10951 B16R0.1820 CCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100011216694 [0,2,0,0,0,0|2,0,0]=4 10952 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [0,2,0,0,0,0|1,0,0]=3 10953 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [0,2,0,0,0,0|1,0,0]=3 10954 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [0,2,0,0,0,0|1,0,0]=3 10955 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [0,2,0,0,0,0|1,0,0]=3 10956 B16R0.1820 CCCCCCCCC(C)OCCCC(C)O 34a_100000210740_200000718107 [0,2,0,0,0,0|1,0,1]=4 10957 B16R0.1820 CCCCCCCCC(C)OCCCC(C)O 7a_100000210740_200000718107 [0,2,0,0,0,0|1,0,1]=4 10958 B16R0.1820 CCCCCCCCC(C)OCCNC(=O)C 7a_100000210740_100000189650 [0,2,0,0,0,0|2,0,0]=4 10959 B16R0.1820 CCCCCCCCC(C)OCCNC(=O)N 7a_100000210740_200000034859 [0,2,0,0,0,0|2,0,0]=4 10960 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)C 34a_100000210740_100009814007 [0,2,0,0,0,0|2,0,0]=4 10961 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)C 7a_100000210740_100009814007 [0,2,0,0,0,0|2,0,0]=4 10962 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)N 34a_100000210740_200011214921 [0,2,0,0,0,0|2,0,0]=4 10963 B16R0.1820 CCCCCCCCC(C)OCCOC(=O)N 7a_100000210740_200011214921 [0,2,0,0,0,0|2,0,0]=4 10964 B16R0.1820 CCCCCCCCN(C)CCCCB(O)O 2230a_100000207567_200009817182 [0,2,0,0,0,0|1,0,1]=4 10965 B16R0.1820 CCCCCCCCN(C)CCCCB(O)O 269982a_100000207567_200009817182 [0,2,0,0,0,0|1,0,1]=4 10966 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [0,2,0,0,0,0|1,0,0]=3 10967 B16R0.1820 CCCCCCCCN(C)CCCOC(=O)C 269982a_100000207567_100000042594 [0,2,0,0,0,0|2,0,0]=4 10968 B16R0.1820 CCCCCCCCN(C)CCCSC(=O)C 2230a_100000207567_100000038929 [0,2,0,0,0,0|2,0,0]=4 10969 B16R0.1820 CCCCCCCCN(C)CCCSC(=O)C 269982a_100000207567_100000038929 [0,2,0,0,0,0|2,0,0]=4 10970 B16R0.1820 CCCCCCCCN(C)CCOCC(=O)N 2230a_100000207567_100000076697 [0,2,0,0,0,0|2,0,0]=4 10971 B16R0.1820 CCCCCCCCN(C)CCOCC(=O)N 269982a_100000207567_100000076697 [0,2,0,0,0,0|2,0,0]=4 10972 B16R0.4657 CC(=O)CCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000735457 [0,2,0,0,0,0|1,0,1]=4 10973 B16R0.4657 CC(C)CCCCC(=O)CCCCCC(=O)N 1458a_100011933920_100009817443 [0,2,0,0,0,0|1,0,1]=4 10974 B16R0.4999 CCCCCCCC(C)(C)NCCCC(=O)N 34a_100000739312_200000046972 [0,2,0,0,0,0|2,0,0]=4 10975 B16R0.4999 CCCCCCCC(C)(C)OCCCC(=O)C 34a_100000759063_200000046972 [0,2,0,0,0,0|2,0,0]=4 10976 B16R0.4999 CCCCCCCC(C)(C)OCCCC(=O)C 7a_100000759063_200000046972 [0,2,0,0,0,0|2,0,0]=4 10977 B16R0.4999 CCCCCCCC(C)(C)SCCCC(=O)N 62a_100102525003_200000046972 [0,2,0,0,0,0|2,0,0]=4 10978 B16R0.4999 CCCCCCCC(C)(C)SCCCC(=O)N 62a_200000046972_100102525003 [0,2,0,0,0,0|2,0,0]=4 10979 B16R0.6233 CCCCC(C)CCC(=O)CCCCC(=O)C 1458a_100000033779_100000735457 [0,2,0,0,0,0|1,0,1]=4 10980 B16R0.41 CCCC(C)CCCOCCCCCB(O)O 34a_100011713154_200009817188 [0,2,0,0,0,0|1,0,1]=4 10981 B16R0.41 CCCC(C)CCCOCCCCCB(O)O 7a_100011713154_200009817188 [0,2,0,0,0,0|1,0,1]=4 10982 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [0,2,0,0,0,0|1,0,0]=3 10983 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [0,2,0,0,0,0|1,0,0]=3 10984 B16R0.41 CCCC(C)CCCOCCCCOC(=O)C 34a_100011713154_100000033659 [0,2,0,0,0,0|2,0,0]=4 10985 B16R0.41 CCCC(C)CCCOCCCCOC(=O)C 7a_100011713154_100000033659 [0,2,0,0,0,0|2,0,0]=4 10986 B16R0.41 CCCC(C)CCCOCCCCSC(=O)C 34a_100011713154_200010402107 [0,2,0,0,0,0|2,0,0]=4 10987 B16R0.41 CCCC(C)CCCOCCCCSC(=O)C 7a_100011713154_200010402107 [0,2,0,0,0,0|2,0,0]=4 10988 B16R0.41 CCCC(C)CCOCCCCCCB(O)O 34a_100011217855_100009817187 [0,2,0,0,0,0|1,0,1]=4 10989 B16R0.41 CCCC(C)CCOCCCCCCB(O)O 7a_100011217855_100009817187 [0,2,0,0,0,0|1,0,1]=4 10990 B16R0.41 CCCC(C)CCOCCCCCOC(=O)C 34a_100011217855_100000033007 [0,2,0,0,0,0|2,0,0]=4 10991 B16R0.41 CCCC(C)CCOCCCCCOC(=O)C 7a_100011217855_100000033007 [0,2,0,0,0,0|2,0,0]=4 10992 B16R0.41 CCCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100011216630 [0,2,0,0,0,0|2,0,0]=4 10993 B16R0.41 CCCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243154 [0,2,0,0,0,0|2,0,0]=4 10994 B16R0.41 CCCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100011216630 [0,2,0,0,0,0|2,0,0]=4 10995 B16R0.41 CCCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243154 [0,2,0,0,0,0|2,0,0]=4 10996 B16R0.41 CCCC(C)CNCCOCCOCC(=O)O 269956a_100009854275_100011216630 [0,2,0,0,0,0|2,0,0]=4 10997 B16R0.41 CCC[C@H](N)CCOCCCCCCB(O)O 34a_100015193777_100009817187 [0,2,0,0,0,0|1,0,1]=4 10998 B16R0.41 CCC[C@H](N)CCOCCCCCOC(=O)C 34a_100015193777_100000033007 [0,2,0,0,0,0|2,0,0]=4 10999 B16R0.41 CCOC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009828014 [0,2,0,0,0,0|1,0,1]=4 11000 B16R0.41 CCOC(=O)CCCCCCCNCC(=O)O 269956a_100016091260_100009991516 [0,2,0,0,0,0|1,0,1]=4 11001 B16R0.114 CCCCCCCC(=O)CCCCCB(O)O 1458a_100000211969_200009817188 [0,2,0,0,0,0|1,0,1]=4 11002 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [0,2,0,0,0,0|1,0,0]=3 11003 B16R0.114 CCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210614 [0,2,0,0,0,0|1,0,1]=4 11004 B16R0.114 CCCCCCCC(=O)CCCCOC(=O)C 1458a_100000211969_100000033659 [0,2,0,0,0,0|1,0,1]=4 11005 B16R0.114 CCCCCCCC(=O)CCCCSC(=O)C 1458a_100000211969_200010402107 [0,2,0,0,0,0|1,0,1]=4 11006 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211969 [0,2,0,0,0,0|1,0,1]=4 11007 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211969 [0,2,0,0,0,0|1,0,1]=4 11008 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211969 [0,2,0,0,0,0|1,0,1]=4 11009 B16R0.114 CCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211969 [0,2,0,0,0,0|1,0,1]=4 11010 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [0,2,0,0,0,0|1,0,0]=3 11011 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [0,2,0,0,0,0|1,0,0]=3 11012 B16R0.114 CCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210596 [0,2,0,0,0,0|2,0,0]=4 11013 B16R0.114 CCCCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218727 [0,2,0,0,0,0|2,0,0]=4 11014 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [0,2,0,0,0,0|1,0,0]=3 11015 B16R0.114 CCCCCCCC(C)OCCCCB(O)O 34a_200011215852_200009817182 [0,2,0,0,0,0|1,0,1]=4 11016 B16R0.114 CCCCCCCC(C)OCCCCB(O)O 7a_200011215852_200009817182 [0,2,0,0,0,0|1,0,1]=4 11017 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [0,2,0,0,0,0|1,0,0]=3 11018 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [0,2,0,0,0,0|1,0,0]=3 11019 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [0,2,0,0,0,0|1,0,0]=3 11020 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [0,2,0,0,0,0|1,0,0]=3 11021 B16R0.114 CCCCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011218727 [0,2,0,0,0,0|1,0,1]=4 11022 B16R0.114 CCCCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011218727 [0,2,0,0,0,0|1,0,1]=4 11023 B16R0.114 CCCCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218727 [0,2,0,0,0,0|2,0,0]=4 11024 B16R0.114 CCCCCCCC(C)OCCCOC(=O)C 34a_200011215852_100000042594 [0,2,0,0,0,0|2,0,0]=4 11025 B16R0.114 CCCCCCCC(C)OCCCOC(=O)C 7a_200011215852_100000042594 [0,2,0,0,0,0|2,0,0]=4 11026 B16R0.114 CCCCCCCC(C)OCCCSC(=O)C 34a_200011215852_100000038929 [0,2,0,0,0,0|2,0,0]=4 11027 B16R0.114 CCCCCCCC(C)OCCCSC(=O)C 7a_200011215852_100000038929 [0,2,0,0,0,0|2,0,0]=4 11028 B16R0.114 CCCCCCCC(C)OCCOCC(=O)N 34a_200011215852_100000076697 [0,2,0,0,0,0|2,0,0]=4 11029 B16R0.114 CCCCCCCC(C)OCCOCC(=O)N 7a_200011215852_100000076697 [0,2,0,0,0,0|2,0,0]=4 11030 B16R0.114 CCCCCCCC(C)SCCCCB(O)O 62a_200009817182_200011218727 [0,2,0,0,0,0|1,0,1]=4 11031 B16R0.114 CCCCCCCC(C)SCCCCB(O)O 62a_200011218727_200009817182 [0,2,0,0,0,0|1,0,1]=4 11032 B16R0.114 CCCCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218727 [0,2,0,0,0,0|2,0,0]=4 11033 B16R0.114 CCCCCCCC(C)SCCCOC(=O)C 62a_200011218727_100000042594 [0,2,0,0,0,0|2,0,0]=4 11034 B16R0.114 CCCCCCCC(C)SCCOCC(=O)N 62a_100000076697_200011218727 [0,2,0,0,0,0|2,0,0]=4 11035 B16R0.114 CCCCCCCC(C)SCCOCC(=O)N 62a_200011218727_100000076697 [0,2,0,0,0,0|2,0,0]=4 11036 B16R0.114 CCCCCCCN(C)CCCCCB(O)O 2230a_100000228206_200009817188 [0,2,0,0,0,0|1,0,1]=4 11037 B16R0.114 CCCCCCCN(C)CCCCCB(O)O 269982a_100000228206_200009817188 [0,2,0,0,0,0|1,0,1]=4 11038 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [0,2,0,0,0,0|1,0,0]=3 11039 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [0,2,0,0,0,0|1,0,0]=3 11040 B16R0.114 CCCCCCCN(C)CCCCOC(=O)C 269982a_100000228206_100000033659 [0,2,0,0,0,0|2,0,0]=4 11041 B16R0.114 CCCCCCCN(C)CCCCSC(=O)C 2230a_100000228206_200010402107 [0,2,0,0,0,0|2,0,0]=4 11042 B16R0.114 CCCCCCCN(C)CCCCSC(=O)C 269982a_100000228206_200010402107 [0,2,0,0,0,0|2,0,0]=4 11043 B16R0.114 COCCCCCC(=O)CCCCCC(=O)N 1458a_100011935119_100009817443 [0,2,0,0,0,0|1,0,1]=4 11044 B16R0.114 NC(=O)CCCCCC(=O)CCCCCCO 1458a_100011996774_100009817443 [0,2,0,0,0,0|1,0,1]=4 11045 B16R0.177 CCCCCCC(=O)CCCCCCB(O)O 1458a_100102632555_100009817187 [0,2,0,0,0,0|1,0,1]=4 11046 B16R0.177 CCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210757 [0,2,0,0,0,0|1,0,1]=4 11047 B16R0.177 CCCCCCC(=O)CCCCCOC(=O)C 1458a_100102632555_100000033007 [0,2,0,0,0,0|1,0,1]=4 11048 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [0,2,0,0,0,0|1,0,0]=3 11049 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [0,2,0,0,0,0|1,0,0]=3 11050 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [0,2,0,0,0,0|1,0,0]=3 11051 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [0,2,0,0,0,0|1,0,0]=3 11052 B16R0.177 CCCCCCC(C)CCOCCCC(C)O 34a_200011024964_200000718107 [0,2,0,0,0,0|1,0,1]=4 11053 B16R0.177 CCCCCCC(C)CCOCCCC(C)O 7a_200011024964_200000718107 [0,2,0,0,0,0|1,0,1]=4 11054 B16R0.177 CCCCCCC(C)CCOCCNC(=O)C 7a_200011024964_100000189650 [0,2,0,0,0,0|2,0,0]=4 11055 B16R0.177 CCCCCCC(C)CCOCCNC(=O)N 7a_200011024964_200000034859 [0,2,0,0,0,0|2,0,0]=4 11056 B16R0.177 CCCCCCC(C)CCOCCOC(=O)C 34a_200011024964_100009814007 [0,2,0,0,0,0|2,0,0]=4 11057 B16R0.177 CCCCCCC(C)CCOCCOC(=O)C 7a_200011024964_100009814007 [0,2,0,0,0,0|2,0,0]=4 11058 B16R0.177 CCCCCCC(C)CCOCCOC(=O)N 34a_200011024964_200011214921 [0,2,0,0,0,0|2,0,0]=4 11059 B16R0.177 CCCCCCC(C)CCOCCOC(=O)N 7a_200011024964_200011214921 [0,2,0,0,0,0|2,0,0]=4 11060 B16R0.177 CCCCCCC(C)NCCCCCB(O)O 2230a_100000210919_200009817188 [0,2,0,0,0,0|1,0,1]=4 11061 B16R0.177 CCCCCCC(C)NCCCCCB(O)O 34a_100000210919_200009817188 [0,2,0,0,0,0|1,0,1]=4 11062 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [0,2,0,0,0,0|1,0,0]=3 11063 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [0,2,0,0,0,0|1,0,0]=3 11064 B16R0.177 CCCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_100011215978 [0,2,0,0,0,0|2,0,0]=4 11065 B16R0.177 CCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210826 [0,2,0,0,0,0|2,0,0]=4 11066 B16R0.177 CCCCCCC(C)NCCCCNC(=O)C 34a_200011368371_100011215978 [0,2,0,0,0,0|2,0,0]=4 11067 B16R0.177 CCCCCCC(C)NCCCCOC(=O)C 34a_100000210919_100000033659 [0,2,0,0,0,0|2,0,0]=4 11068 B16R0.177 CCCCCCC(C)NCCCCSC(=O)C 2230a_100000210919_200010402107 [0,2,0,0,0,0|2,0,0]=4 11069 B16R0.177 CCCCCCC(C)NCCCCSC(=O)C 34a_100000210919_200010402107 [0,2,0,0,0,0|2,0,0]=4 11070 B16R0.177 CCCCCCC(C)OCCCCCB(O)O 34a_100000210265_200009817188 [0,2,0,0,0,0|1,0,1]=4 11071 B16R0.177 CCCCCCC(C)OCCCCCB(O)O 7a_100000210265_200009817188 [0,2,0,0,0,0|1,0,1]=4 11072 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [0,2,0,0,0,0|1,0,0]=3 11073 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [0,2,0,0,0,0|1,0,0]=3 11074 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [0,2,0,0,0,0|1,0,0]=3 11075 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [0,2,0,0,0,0|1,0,0]=3 11076 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [0,2,0,0,0,0|0,0,1]=3 11077 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 34a_100000073216_100011215978 [0,2,0,0,0,0|2,0,0]=4 11078 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 34a_100000210265_100000033659 [0,2,0,0,0,0|2,0,0]=4 11079 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 7a_100000073216_100011215978 [0,2,0,0,0,0|2,0,0]=4 11080 B16R0.177 CCCCCCC(C)OCCCCOC(=O)C 7a_100000210265_100000033659 [0,2,0,0,0,0|2,0,0]=4 11081 B16R0.177 CCCCCCC(C)OCCCCSC(=O)C 34a_100000210265_200010402107 [0,2,0,0,0,0|2,0,0]=4 11082 B16R0.177 CCCCCCC(C)OCCCCSC(=O)C 7a_100000210265_200010402107 [0,2,0,0,0,0|2,0,0]=4 11083 B16R0.177 CCCCCCC(C)SCCCCCB(O)O 62a_100011215978_200009817188 [0,2,0,0,0,0|1,0,1]=4 11084 B16R0.177 CCCCCCC(C)SCCCCCB(O)O 62a_200009817188_100011215978 [0,2,0,0,0,0|1,0,1]=4 11085 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [0,2,0,0,0,0|1,0,0]=3 11086 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [0,2,0,0,0,0|1,0,0]=3 11087 B16R0.177 CCCCCCC(C)SCCCCOC(=O)C 62a_100000033659_100011215978 [0,2,0,0,0,0|2,0,0]=4 11088 B16R0.177 CCCCCCC(C)SCCCCOC(=O)C 62a_100011215978_100000033659 [0,2,0,0,0,0|2,0,0]=4 11089 B16R0.177 CCCCCCN(C)CCCCCCB(O)O 2230a_106256046315_100009817187 [0,2,0,0,0,0|1,0,1]=4 11090 B16R0.177 CCCCCCN(C)CCCCCCB(O)O 269982a_106256046315_100009817187 [0,2,0,0,0,0|1,0,1]=4 11091 B16R0.177 CCCCCCN(C)CCCCCOC(=O)C 2230a_106256046315_100009813381 [0,2,0,0,0,0|2,0,0]=4 11092 B16R0.177 CCCCCCN(C)CCCCCOC(=O)C 269982a_106256046315_100000033007 [0,2,0,0,0,0|2,0,0]=4 11093 B16R0.177 CCCCOCC(C)OCCCCCC(=O)N 34a_100011217071_100009817443 [0,2,0,0,0,0|2,0,0]=4 11094 B16R0.177 CCCCOCC(C)OCCCCCC(=O)N 7a_100011217071_100009817443 [0,2,0,0,0,0|2,0,0]=4 11095 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 34a_100000054667_100000187820 [0,2,0,0,0,0|1,0,1]=4 11096 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 7a_100000054667_100000187820 [0,2,0,0,0,0|1,0,1]=4 11097 B16R0.274 C#CCCCCCCCCCCOCC(=O)[O-] 34a_100000054667_100020667443 [0,2,0,0,0,0|0,0,2]=4 11098 B16R0.274 C#CCCCCCCCCCOCCC(=O)C 7a_100000034437_100000053229 [0,2,0,0,0,0|1,0,1]=4 11099 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 34a_100000034437_100000731001 [0,2,0,0,0,0|1,0,1]=4 11100 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 7a_100000034437_100000744528 [0,2,0,0,0,0|1,0,1]=4 11101 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 34a_100000065265_100000685027 [0,2,0,0,0,0|1,0,1]=4 11102 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 7a_100000065265_100011215641 [0,2,0,0,0,0|1,0,1]=4 11103 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 34a_100000065265_100102525003 [0,2,0,0,0,0|1,0,1]=4 11104 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 7a_100000065265_100102525003 [0,2,0,0,0,0|1,0,1]=4 11105 B16R0.274 C#CCCCCCCCNCCCCC(=O)N 34a_100000696515_100153394163 [0,2,0,0,0,0|1,0,1]=4 11106 B16R0.274 C#CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100153394163 [0,2,0,0,0,0|0,0,2]=4 11107 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 34a_100000054614_100009817362 [0,2,0,0,0,0|1,0,1]=4 11108 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 7a_100000054614_100000735457 [0,2,0,0,0,0|1,0,1]=4 11109 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 34a_100012022536_100153394163 [0,2,0,0,0,0|1,0,1]=4 11110 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 7a_100012022536_100153394163 [0,2,0,0,0,0|1,0,1]=4 11111 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100000735457_100153394163 [0,2,0,0,0,0|1,0,1]=4 11112 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100153394163_100000735457 [0,2,0,0,0,0|1,0,1]=4 11113 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100000123541_100012276617 [0,2,0,0,0,0|1,0,1]=4 11114 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100011217361_100009817443 [0,2,0,0,0,0|1,0,1]=4 11115 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100012276617 [0,2,0,0,0,0|1,0,1]=4 11116 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100011217361_100009817443 [0,2,0,0,0,0|1,0,1]=4 11117 B16R0.274 C#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012276617 [0,2,0,0,0,0|0,0,2]=4 11118 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100012276617 [0,2,0,0,0,0|1,0,1]=4 11119 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100012276617_100009817443 [0,2,0,0,0,0|1,0,1]=4 11120 B16R0.274 C#CCNCCCCCCCCCCC(=O)N 34a_100000212058_200010167045 [0,2,0,0,0,0|1,0,1]=4 11121 B16R0.274 C#CCOCCCCCCCCCCC(=O)N 34a_100000210247_200010167045 [0,2,0,0,0,0|1,0,1]=4 11122 B16R0.274 C#CCSCCCCCCCCCCC(=O)N 62a_100000038162_200010167045 [0,2,0,0,0,0|1,0,1]=4 11123 B16R0.274 C=C(Br)CCOCCCCCCCCCCO 34a_100009813270_100009813290 [0,2,0,0,0,0|2,0,0]=4 11124 B16R0.274 C=C(C)CCNCCCCCCCCCCO 2230a_100000066964_100000730704 [0,2,0,0,0,0|2,0,0]=4 11125 B16R0.274 C=C(C)CCNCCCCCCCCCCO 34a_100000066964_100000730704 [0,2,0,0,0,0|2,0,0]=4 11126 B16R0.274 C=C(C)CCOCCCCCCCCCCN 34a_100000066964_100000730704 [0,2,0,0,0,0|2,0,0]=4 11127 B16R0.274 C=C(C)CCOCCCCCCCCCCO 34a_100000764851_100009813290 [0,2,0,0,0,0|2,0,0]=4 11128 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100000730704_200000033068 [0,2,0,0,0,0|2,0,0]=4 11129 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100009813290_100000730704 [0,2,0,0,0,0|2,0,0]=4 11130 B16R0.274 C=C(C)COCCCCCCCCCCCO 34a_100000210245_100009812471 [0,2,0,0,0,0|2,0,0]=4 11131 B16R0.274 C=C(C)COCCCCCCCCCOCC 34a_100009875440_100000748629 [0,2,0,0,0,0|2,0,0]=4 11132 B16R0.274 C=C(C)COCCCCCCCCCOCC 7a_100009875440_100000748629 [0,2,0,0,0,0|2,0,0]=4 11133 B16R0.274 C=C(C)CSCCCCCCCCCCCO 62a_100009812471_100000211660 [0,2,0,0,0,0|2,0,0]=4 11134 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [0,2,0,0,0,0|2,0,0]=4 11135 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [0,2,0,0,0,0|2,0,0]=4 11136 B16R0.274 C=C(F)COCCCCCCCCCCCO 34a_200010262243_100009812471 [0,2,0,0,0,0|2,0,0]=4 11137 B16R0.274 C=C(F)COCCCCCCCCCOCC 34a_100009875440_100009893438 [0,2,0,0,0,0|2,0,0]=4 11138 B16R0.274 C=C(F)COCCCCCCCCCOCC 7a_100009875440_100000042424 [0,2,0,0,0,0|2,0,0]=4 11139 B16R0.274 C=C(F)CSCCCCCCCCCCCO 62a_100009812471_100000042424 [0,2,0,0,0,0|2,0,0]=4 11140 B16R0.274 C=CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011093070 [0,2,0,0,0,0|1,0,1]=4 11141 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [0,2,0,0,0,0|0,0,1]=3 11142 B16R0.274 C=CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011093070 [0,2,0,0,0,0|1,0,1]=4 11143 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011093070 [0,2,0,0,0,0|1,0,1]=4 11144 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100011093070_100000747473 [0,2,0,0,0,0|1,0,1]=4 11145 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100011093070_100020667443 [0,2,0,0,0,0|0,0,2]=4 11146 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011093070 [0,2,0,0,0,0|0,0,2]=4 11147 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 2230a_100000081888_100000744528 [0,2,0,0,0,0|1,0,1]=4 11148 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 34a_100000081888_100000731001 [0,2,0,0,0,0|1,0,1]=4 11149 B16R0.274 C=CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100009814027 [0,2,0,0,0,0|0,0,2]=4 11150 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [0,2,0,0,0,0|1,0,1]=4 11151 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [0,2,0,0,0,0|1,0,1]=4 11152 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [0,2,0,0,0,0|1,0,1]=4 11153 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000038209_100000731001 [0,2,0,0,0,0|1,0,1]=4 11154 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000757172_100009814027 [0,2,0,0,0,0|1,0,1]=4 11155 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000038209_100000744528 [0,2,0,0,0,0|1,0,1]=4 11156 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000757172_100009814027 [0,2,0,0,0,0|1,0,1]=4 11157 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100000744528_100009814027 [0,2,0,0,0,0|1,0,1]=4 11158 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100009814027_100000744528 [0,2,0,0,0,0|1,0,1]=4 11159 B16R0.274 C=CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011933949 [0,2,0,0,0,0|1,0,1]=4 11160 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011933949 [0,2,0,0,0,0|1,0,1]=4 11161 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100011215194_100000685027 [0,2,0,0,0,0|1,0,1]=4 11162 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100000759063_100011933949 [0,2,0,0,0,0|1,0,1]=4 11163 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100011215194_100011215641 [0,2,0,0,0,0|1,0,1]=4 11164 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 34a_100011215194_100102525003 [0,2,0,0,0,0|1,0,1]=4 11165 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 7a_100011215194_100102525003 [0,2,0,0,0,0|1,0,1]=4 11166 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100011933949_100102525003 [0,2,0,0,0,0|1,0,1]=4 11167 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100102525003_100011933949 [0,2,0,0,0,0|1,0,1]=4 11168 B16R0.274 C=CCCCCCCCNCCCCC(=O)N 34a_100000696515_100012355270 [0,2,0,0,0,0|1,0,1]=4 11169 B16R0.274 C=CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100012355270 [0,2,0,0,0,0|0,0,2]=4 11170 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 34a_100000730831_100009817362 [0,2,0,0,0,0|1,0,1]=4 11171 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 7a_100000730831_100000735457 [0,2,0,0,0,0|1,0,1]=4 11172 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 34a_100012022536_100012355270 [0,2,0,0,0,0|1,0,1]=4 11173 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 7a_100012022536_100012355270 [0,2,0,0,0,0|1,0,1]=4 11174 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_100000123541_100011215473 [0,2,0,0,0,0|1,0,1]=4 11175 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_200011216477_100009817443 [0,2,0,0,0,0|1,0,1]=4 11176 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_100000123541_100011215473 [0,2,0,0,0,0|1,0,1]=4 11177 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_200011216477_100009817443 [0,2,0,0,0,0|1,0,1]=4 11178 B16R0.274 C=CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215473 [0,2,0,0,0,0|0,0,2]=4 11179 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100009817443_100011215473 [0,2,0,0,0,0|1,0,1]=4 11180 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100011215473_100009817443 [0,2,0,0,0,0|1,0,1]=4 11181 B16R0.274 C=CCNCCCCCCCCCCC(=O)N 2230a_100020586998_200010167045 [0,2,0,0,0,0|1,0,1]=4 11182 B16R0.274 C=CCOCCCCCCCCCCC(=O)N 34a_200000210373_200010167045 [0,2,0,0,0,0|1,0,1]=4 11183 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_100000210623_200010167045 [0,2,0,0,0,0|1,0,1]=4 11184 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210623 [0,2,0,0,0,0|1,0,1]=4 11185 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,2,0,0,0,0|1,0,0]=3 11186 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,2,0,0,0,0|1,0,0]=3 11187 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,2,0,0,0,0|1,0,0]=3 11188 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,2,0,0,0,0|1,0,0]=3 11189 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,2,0,0,0,0|1,0,0]=3 11190 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,2,0,0,0,0|1,0,0]=3 11191 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,2,0,0,0,0|1,0,0]=3 11192 B16R0.274 CC(=O)CCCCOCCCCCNCCN 34a_103619048469_100009817362 [0,2,0,0,0,0|2,0,0]=4 11193 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,2,0,0,0,0|1,0,0]=3 11194 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,2,0,0,0,0|1,0,0]=3 11195 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,2,0,0,0,0|1,0,0]=3 11196 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,2,0,0,0,0|1,0,0]=3 11197 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,2,0,0,0,0|1,0,0]=3 11198 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,2,0,0,0,0|1,0,0]=3 11199 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,2,0,0,0,0|1,0,0]=3 11200 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,2,0,0,0,0|1,0,0]=3 11201 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,2,0,0,0,0|1,0,0]=3 11202 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,2,0,0,0,0|1,0,0]=3 11203 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,2,0,0,0,0|1,0,0]=3 11204 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,2,0,0,0,0|1,0,0]=3 11205 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,2,0,0,0,0|1,0,0]=3 11206 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,2,0,0,0,0|1,0,0]=3 11207 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,2,0,0,0,0|1,0,0]=3 11208 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,2,0,0,0,0|1,0,0]=3 11209 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,2,0,0,0,0|1,0,0]=3 11210 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,2,0,0,0,0|1,0,0]=3 11211 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [0,2,0,0,0,0|1,0,0]=3 11212 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [0,2,0,0,0,0|1,0,0]=3 11213 B16R0.274 CC(=O)NCCCCCCNCCCCCF 2230a_200011996284_100000729378 [0,2,0,0,0,0|2,0,0]=4 11214 B16R0.274 CC(=O)NCCCCCCNCCCCCF 34a_200011996284_100000729378 [0,2,0,0,0,0|2,0,0]=4 11215 B16R0.274 CC(=O)NCCCCCCNCCCCCO 2230a_200011996284_100000746330 [0,2,0,0,0,0|2,0,0]=4 11216 B16R0.274 CC(=O)NCCCCCCNCCCCCO 34a_200011996284_100000746330 [0,2,0,0,0,0|2,0,0]=4 11217 B16R0.274 CC(=O)NCCCCCNCCCCCCF 2230a_200012022750_100015922095 [0,2,0,0,0,0|2,0,0]=4 11218 B16R0.274 CC(=O)NCCCCCNCCCCCCF 34a_200012022750_100015922095 [0,2,0,0,0,0|2,0,0]=4 11219 B16R0.274 CC(=O)NCCCCCNCCCCCCO 2230a_200012022750_100000766143 [0,2,0,0,0,0|2,0,0]=4 11220 B16R0.274 CC(=O)NCCCCCNCCCCCCO 34a_200012022750_100000766143 [0,2,0,0,0,0|2,0,0]=4 11221 B16R0.274 CC(=O)NCCCCNCCCCCCCO 2230a_200011368371_100000760002 [0,2,0,0,0,0|2,0,0]=4 11222 B16R0.274 CC(=O)NCCCCNCCCCCCCO 34a_200011368371_100000760002 [0,2,0,0,0,0|2,0,0]=4 11223 B16R0.274 CC(=O)NCCCNCCCCCCCCO 34a_100000736810_100000033203 [0,2,0,0,0,0|2,0,0]=4 11224 B16R0.274 CC(=O)NCCCOCCCCCCCCO 34a_100000752032_100000033203 [0,2,0,0,0,0|2,0,0]=4 11225 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000078944_100000189650 [0,2,0,0,0,0|2,0,0]=4 11226 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000209853_100009813782 [0,2,0,0,0,0|2,0,0]=4 11227 B16R0.274 CC(=O)NCCOCCCCCCCCCBr 7a_100009813782_100000189650 [0,2,0,0,0,0|2,0,0]=4 11228 B16R0.274 CC(=O)NCCOCCCCCCCCCCl 7a_100009868337_100000189650 [0,2,0,0,0,0|2,0,0]=4 11229 B16R0.274 CC(=O)NCCOCCCCCCCCCO 34a_100000158858_100009813782 [0,2,0,0,0,0|2,0,0]=4 11230 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100000189650_100009813782 [0,2,0,0,0,0|2,0,0]=4 11231 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100009813782_100000189650 [0,2,0,0,0,0|2,0,0]=4 11232 B16R0.274 CC(=O)OCCCCCNCCCCCCO 2230a_100000686447_100009813381 [0,2,0,0,0,0|2,0,0]=4 11233 B16R0.274 CC(=O)OCCCCCNCCCCCCO 34a_100000686447_100000033007 [0,2,0,0,0,0|2,0,0]=4 11234 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 34a_100011215345_100000033007 [0,2,0,0,0,0|2,0,0]=4 11235 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 7a_100011215345_100000033007 [0,2,0,0,0,0|2,0,0]=4 11236 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 34a_100000766143_100000033007 [0,2,0,0,0,0|2,0,0]=4 11237 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 7a_100000766143_100000033007 [0,2,0,0,0,0|2,0,0]=4 11238 B16R0.274 CC(=O)OCCCCCOCCCCCCF 34a_100000732779_100000033007 [0,2,0,0,0,0|2,0,0]=4 11239 B16R0.274 CC(=O)OCCCCCOCCCCCCF 7a_100000732779_100000033007 [0,2,0,0,0,0|2,0,0]=4 11240 B16R0.274 CC(=O)OCCCCCOCCCCCCN 34a_100000686447_100000033007 [0,2,0,0,0,0|2,0,0]=4 11241 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100000033007_100015922095 [0,2,0,0,0,0|2,0,0]=4 11242 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100015922095_100000033007 [0,2,0,0,0,0|2,0,0]=4 11243 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000033007_100000766143 [0,2,0,0,0,0|2,0,0]=4 11244 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000766143_100000033007 [0,2,0,0,0,0|2,0,0]=4 11245 B16R0.274 CC(=O)OCCCCNCCCCCCCO 34a_100011996573_100000033659 [0,2,0,0,0,0|2,0,0]=4 11246 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 34a_100000760002_100000033659 [0,2,0,0,0,0|2,0,0]=4 11247 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 7a_100000760002_100000033659 [0,2,0,0,0,0|2,0,0]=4 11248 B16R0.274 CC(=O)OCCCCOCCCCCCCN 34a_100011996573_100000033659 [0,2,0,0,0,0|2,0,0]=4 11249 B16R0.274 CC(=O)OCCCCOCCCCCCCO 34a_100000073216_100000760002 [0,2,0,0,0,0|2,0,0]=4 11250 B16R0.274 CC(=O)OCCCCOCCCCCCCO 7a_100000073216_100000760002 [0,2,0,0,0,0|2,0,0]=4 11251 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000033659_100000760002 [0,2,0,0,0,0|2,0,0]=4 11252 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000760002_100000033659 [0,2,0,0,0,0|2,0,0]=4 11253 B16R0.274 CC(=O)OCCCNCCCCCCCCO 34a_102515433106_100000042594 [0,2,0,0,0,0|2,0,0]=4 11254 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 34a_100009813846_100000042594 [0,2,0,0,0,0|2,0,0]=4 11255 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 7a_100009813846_100000042594 [0,2,0,0,0,0|2,0,0]=4 11256 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 34a_100000033203_100000042594 [0,2,0,0,0,0|2,0,0]=4 11257 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 7a_100000033203_100000042594 [0,2,0,0,0,0|2,0,0]=4 11258 B16R0.274 CC(=O)OCCCOCCCCCCCCN 34a_102515433106_100000042594 [0,2,0,0,0,0|2,0,0]=4 11259 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000033203_100000042594 [0,2,0,0,0,0|2,0,0]=4 11260 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000042594_100000033203 [0,2,0,0,0,0|2,0,0]=4 11261 B16R0.274 CC(=O)OCCNCCCCCCCCCO 34a_100000078944_100009814007 [0,2,0,0,0,0|2,0,0]=4 11262 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009814007 [0,2,0,0,0,0|2,0,0]=4 11263 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009814007 [0,2,0,0,0,0|2,0,0]=4 11264 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009814007 [0,2,0,0,0,0|2,0,0]=4 11265 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009814007 [0,2,0,0,0,0|2,0,0]=4 11266 B16R0.274 CC(=O)OCCOCCCCCCCCCN 34a_100000078944_100009814007 [0,2,0,0,0,0|2,0,0]=4 11267 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009813782_100009814007 [0,2,0,0,0,0|2,0,0]=4 11268 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009814007_100009813782 [0,2,0,0,0,0|2,0,0]=4 11269 B16R0.274 CC(=O)OCNCCCCCCCCCCO 34a_100000066964_100009813279 [0,2,0,0,0,0|2,0,0]=4 11270 B16R0.274 CC(=O)OCOCCCCCCCCCCBr 34a_100009813290_100009813279 [0,2,0,0,0,0|2,0,0]=4 11271 B16R0.274 CC(=O)OCOCCCCCCCCCCCl 34a_200000033068_100009813279 [0,2,0,0,0,0|2,0,0]=4 11272 B16R0.274 CC(=O)OCOCCCCCCCCCCN 34a_100000066964_100009813279 [0,2,0,0,0,0|2,0,0]=4 11273 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100000076356_200000033068 [0,2,0,0,0,0|2,0,0]=4 11274 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000076356 [0,2,0,0,0,0|2,0,0]=4 11275 B16R0.274 CC(=O)SCCCCNCCCCCCCO 2230a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 11276 B16R0.274 CC(=O)SCCCCNCCCCCCCO 34a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 11277 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 34a_100000760002_200010402107 [0,2,0,0,0,0|2,0,0]=4 11278 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 7a_100000760002_200010402107 [0,2,0,0,0,0|2,0,0]=4 11279 B16R0.274 CC(=O)SCCCCOCCCCCCCN 34a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 11280 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_100000760002_200010402107 [0,2,0,0,0,0|2,0,0]=4 11281 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_200010402107_100000760002 [0,2,0,0,0,0|2,0,0]=4 11282 B16R0.274 CC(=O)SCCCNCCCCCCCCO 2230a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 11283 B16R0.274 CC(=O)SCCCNCCCCCCCCO 34a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 11284 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 34a_100009813846_100000038929 [0,2,0,0,0,0|2,0,0]=4 11285 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 7a_100009813846_100000038929 [0,2,0,0,0,0|2,0,0]=4 11286 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 34a_100000033203_100000038929 [0,2,0,0,0,0|2,0,0]=4 11287 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 7a_100000033203_100000038929 [0,2,0,0,0,0|2,0,0]=4 11288 B16R0.274 CC(=O)SCCCOCCCCCCCCN 34a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 11289 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000033203_100000038929 [0,2,0,0,0,0|2,0,0]=4 11290 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000038929_100000033203 [0,2,0,0,0,0|2,0,0]=4 11291 B16R0.274 CC(O)CCCNCCCCCCCCCO 2230a_100000078944_200000718107 [0,2,0,0,0,0|1,0,1]=4 11292 B16R0.274 CC(O)CCCNCCCCCCCCCO 34a_100000078944_200000718107 [0,2,0,0,0,0|1,0,1]=4 11293 B16R0.274 CC(O)CCCOCCCCCCCCCBr 34a_100009813782_200000718107 [0,2,0,0,0,0|1,0,1]=4 11294 B16R0.274 CC(O)CCCOCCCCCCCCCBr 7a_100009813782_200000718107 [0,2,0,0,0,0|1,0,1]=4 11295 B16R0.274 CC(O)CCCOCCCCCCCCCCl 34a_100009868337_200000718107 [0,2,0,0,0,0|1,0,1]=4 11296 B16R0.274 CC(O)CCCOCCCCCCCCCCl 7a_100009868337_200000718107 [0,2,0,0,0,0|1,0,1]=4 11297 B16R0.274 CC(O)CCCOCCCCCCCCCN 34a_100000078944_200000718107 [0,2,0,0,0,0|1,0,1]=4 11298 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_100009813782_200000718107 [0,2,0,0,0,0|1,0,1]=4 11299 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_200000718107_100009813782 [0,2,0,0,0,0|1,0,1]=4 11300 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_100000066964_100012276601 [0,2,0,0,0,0|1,0,1]=4 11301 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_200000755665_100009813290 [0,2,0,0,0,0|1,0,1]=4 11302 B16R0.274 CC(O)CCNCCCCCCCCCCO 34a_100000066964_100012276601 [0,2,0,0,0,0|1,0,1]=4 11303 B16R0.274 CC(O)CCOCCCCCCCCCCBr 34a_100009813290_100012276601 [0,2,0,0,0,0|1,0,1]=4 11304 B16R0.274 CC(O)CCOCCCCCCCCCCBr 7a_100009813290_100012276601 [0,2,0,0,0,0|1,0,1]=4 11305 B16R0.274 CC(O)CCOCCCCCCCCCCCl 34a_200000033068_100012276601 [0,2,0,0,0,0|1,0,1]=4 11306 B16R0.274 CC(O)CCOCCCCCCCCCCCl 7a_200000033068_100012276601 [0,2,0,0,0,0|1,0,1]=4 11307 B16R0.274 CC(O)CCOCCCCCCCCCCN 34a_100000066964_100012276601 [0,2,0,0,0,0|1,0,1]=4 11308 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100009813290_100012276601 [0,2,0,0,0,0|1,0,1]=4 11309 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100012276601_200000033068 [0,2,0,0,0,0|1,0,1]=4 11310 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [0,2,0,0,0,0|1,0,1]=4 11311 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [0,2,0,0,0,0|1,0,1]=4 11312 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [0,2,0,0,0,0|1,0,1]=4 11313 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [0,2,0,0,0,0|1,0,1]=4 11314 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [0,2,0,0,0,0|1,0,1]=4 11315 B16R0.274 CC/C=C\CCCCCCCNCCC(=O)N 269862a_100000740010_200025770492 [0,2,0,0,0,0|1,0,1]=4 11316 B16R0.274 CC/C=C\CCCCCNCCCCC(=O)N 269862a_100000696515_100016288537 [0,2,0,0,0,0|1,0,1]=4 11317 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 34a_100016268722_100009817362 [0,2,0,0,0,0|1,0,1]=4 11318 B16R0.274 CC/C=C\CCCCCOCCCCC(=O)C 7a_100016268722_100000735457 [0,2,0,0,0,0|1,0,1]=4 11319 B16R0.274 CC/C=C\CCCCOCCCCCC(=O)N 34a_100016287862_100009817443 [0,2,0,0,0,0|1,0,1]=4 11320 B16R0.274 CC/C=C\CCCCOCCCCCC(=O)N 7a_100016287862_100009817443 [0,2,0,0,0,0|1,0,1]=4 11321 B16R0.274 CCC#CCCCCCCCCOCC(=O)N 34a_200000031908_100000187820 [0,2,0,0,0,0|1,0,1]=4 11322 B16R0.274 CCC#CCCCCCCCCOCC(=O)N 7a_200000031908_100000187820 [0,2,0,0,0,0|1,0,1]=4 11323 B16R0.274 CCC#CCCCCCCCCOCC(=O)[O-] 34a_200000031908_100020667443 [0,2,0,0,0,0|0,0,2]=4 11324 B16R0.274 CCC#CCCCCCCNCCCC(=O)N 34a_100000739312_200000036426 [0,2,0,0,0,0|1,0,1]=4 11325 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 34a_100000759063_200000036426 [0,2,0,0,0,0|1,0,1]=4 11326 B16R0.274 CCC#CCCCCCCOCCCC(=O)C 7a_100000759063_200000036426 [0,2,0,0,0,0|1,0,1]=4 11327 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000036426 [0,2,0,0,0,0|1,0,1]=4 11328 B16R0.274 CCC#CCCCCCCSCCCC(=O)C 62a_200000036426_100011215641 [0,2,0,0,0,0|1,0,1]=4 11329 B16R0.274 CCC#CCCCCCCSCCCC(=O)N 62a_100102525003_200000036426 [0,2,0,0,0,0|1,0,1]=4 11330 B16R0.274 CCC#CCCCCCCSCCCC(=O)N 62a_200000036426_100102525003 [0,2,0,0,0,0|1,0,1]=4 11331 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 34a_200020645093_100000685027 [0,2,0,0,0,0|1,0,1]=4 11332 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)C 7a_200020645093_100011215641 [0,2,0,0,0,0|1,0,1]=4 11333 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)N 34a_200020645093_100102525003 [0,2,0,0,0,0|1,0,1]=4 11334 B16R0.274 CCCC/C=C/CCCCOCCCC(=O)N 7a_200020645093_100102525003 [0,2,0,0,0,0|1,0,1]=4 11335 B16R0.274 CCCC/C=C\CCOCCCCCC(=O)N 34a_200016286491_100009817443 [0,2,0,0,0,0|1,0,1]=4 11336 B16R0.274 CCCC/C=C\CCOCCCCCC(=O)N 7a_200016286491_100009817443 [0,2,0,0,0,0|1,0,1]=4 11337 B16R0.274 CCCCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000043322 [0,2,0,0,0,0|1,0,1]=4 11338 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [0,2,0,0,0,0|0,0,1]=3 11339 B16R0.274 CCCCC#CCCCCCCOCC(=O)C 34a_100000211253_200000043322 [0,2,0,0,0,0|1,0,1]=4 11340 B16R0.274 CCCCC#CCCCCCCSCC(=O)N 62a_100000747473_200000043322 [0,2,0,0,0,0|1,0,1]=4 11341 B16R0.274 CCCCC#CCCCCCCSCC(=O)N 62a_200000043322_100000747473 [0,2,0,0,0,0|1,0,1]=4 11342 B16R0.274 CCCCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000043322 [0,2,0,0,0,0|0,0,2]=4 11343 B16R0.274 CCCCC#CCCCCCCSCC(=O)[O-] 62a_200000043322_100020667443 [0,2,0,0,0,0|0,0,2]=4 11344 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 34a_200000066234_100000685027 [0,2,0,0,0,0|1,0,1]=4 11345 B16R0.274 CCCCC#CCCCCOCCCC(=O)C 7a_200000066234_100011215641 [0,2,0,0,0,0|1,0,1]=4 11346 B16R0.274 CCCCC#CCCCCOCCCC(=O)N 34a_200000066234_100102525003 [0,2,0,0,0,0|1,0,1]=4 11347 B16R0.274 CCCCC#CCCCCOCCCC(=O)N 7a_200000066234_100102525003 [0,2,0,0,0,0|1,0,1]=4 11348 B16R0.274 CCCCC#CCCCNCCCCC(=O)N 34a_100000696515_200000047210 [0,2,0,0,0,0|1,0,1]=4 11349 B16R0.274 CCCCC#CCCCNCCOCC(=O)O 269956a_100000700818_200000047210 [0,2,0,0,0,0|0,0,2]=4 11350 B16R0.274 CCCCC#CCCCOCCCCC(=O)N 34a_100012022536_200000047210 [0,2,0,0,0,0|1,0,1]=4 11351 B16R0.274 CCCCC#CCCCOCCCCC(=O)N 7a_100012022536_200000047210 [0,2,0,0,0,0|1,0,1]=4 11352 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_100000735457_200000047210 [0,2,0,0,0,0|1,0,1]=4 11353 B16R0.274 CCCCC#CCCCSCCCCC(=O)C 62a_200000047210_100000735457 [0,2,0,0,0,0|1,0,1]=4 11354 B16R0.274 CCCCC#CCCOCCCCCC(=O)N 34a_100000037610_100009817443 [0,2,0,0,0,0|1,0,1]=4 11355 B16R0.274 CCCCC#CCCOCCCCCC(=O)N 7a_100000037610_100009817443 [0,2,0,0,0,0|1,0,1]=4 11356 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 34a_100016258190_100009817443 [0,2,0,0,0,0|1,0,1]=4 11357 B16R0.274 CCCCC/C=C/COCCCCCC(=O)N 7a_100016258190_100009817443 [0,2,0,0,0,0|1,0,1]=4 11358 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 34a_100020655193_100000685027 [0,2,0,0,0,0|1,0,1]=4 11359 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)C 7a_100020655193_100011215641 [0,2,0,0,0,0|1,0,1]=4 11360 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 34a_100020655193_100102525003 [0,2,0,0,0,0|1,0,1]=4 11361 B16R0.274 CCCCC/C=C\CCCOCCCC(=O)N 7a_100020655193_100102525003 [0,2,0,0,0,0|1,0,1]=4 11362 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 34a_100016277358_100009817362 [0,2,0,0,0,0|1,0,1]=4 11363 B16R0.274 CCCCC/C=C\CCOCCCCC(=O)C 7a_100016277358_100000735457 [0,2,0,0,0,0|1,0,1]=4 11364 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 34a_200000042877_100009817362 [0,2,0,0,0,0|1,0,1]=4 11365 B16R0.274 CCCCCC#CCCOCCCCC(=O)C 7a_200000042877_100000735457 [0,2,0,0,0,0|1,0,1]=4 11366 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 34a_100000123541_100009816472 [0,2,0,0,0,0|1,0,1]=4 11367 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 34a_200000033628_100009817443 [0,2,0,0,0,0|1,0,1]=4 11368 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 7a_100000123541_100009816472 [0,2,0,0,0,0|1,0,1]=4 11369 B16R0.274 CCCCCC#CCOCCCCCC(=O)N 7a_200000033628_100009817443 [0,2,0,0,0,0|1,0,1]=4 11370 B16R0.274 CCCCCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009816472 [0,2,0,0,0,0|0,0,2]=4 11371 B16R0.274 CCCCCC#CCSCCCCCC(=O)N 62a_100009816472_100009817443 [0,2,0,0,0,0|1,0,1]=4 11372 B16R0.274 CCCCCC#CCSCCCCCC(=O)N 62a_100009817443_100009816472 [0,2,0,0,0,0|1,0,1]=4 11373 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 34a_200016276170_100009817362 [0,2,0,0,0,0|1,0,1]=4 11374 B16R0.274 CCCCCC/C=C/COCCCCC(=O)C 7a_200016276170_100000735457 [0,2,0,0,0,0|1,0,1]=4 11375 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 34a_200000033163_100000685027 [0,2,0,0,0,0|1,0,1]=4 11376 B16R0.274 CCCCCCC#CCCOCCCC(=O)C 7a_200000033163_100011215641 [0,2,0,0,0,0|1,0,1]=4 11377 B16R0.274 CCCCCCC#CCCOCCCC(=O)N 34a_200000033163_100102525003 [0,2,0,0,0,0|1,0,1]=4 11378 B16R0.274 CCCCCCC#CCCOCCCC(=O)N 7a_200000033163_100102525003 [0,2,0,0,0,0|1,0,1]=4 11379 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 34a_200000037284_100009817362 [0,2,0,0,0,0|1,0,1]=4 11380 B16R0.274 CCCCCCC#CCOCCCCC(=O)C 7a_200000037284_100000735457 [0,2,0,0,0,0|1,0,1]=4 11381 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 34a_200000061759_100000685027 [0,2,0,0,0,0|1,0,1]=4 11382 B16R0.274 CCCCCCCC#CCOCCCC(=O)C 7a_200000061759_100011215641 [0,2,0,0,0,0|1,0,1]=4 11383 B16R0.274 CCCCCCCC#CCOCCCC(=O)N 34a_200000061759_100102525003 [0,2,0,0,0,0|1,0,1]=4 11384 B16R0.274 CCCCCCCC#CCOCCCC(=O)N 7a_200000061759_100102525003 [0,2,0,0,0,0|1,0,1]=4 11385 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [0,2,0,0,0,0|1,0,1]=4 11386 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 34a_200020667288_100000731001 [0,2,0,0,0,0|1,0,1]=4 11387 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 7a_200020667288_100000744528 [0,2,0,0,0,0|1,0,1]=4 11388 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 34a_100015232335_100000187820 [0,2,0,0,0,0|1,0,1]=4 11389 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 7a_100015232335_100000187820 [0,2,0,0,0,0|1,0,1]=4 11390 B16R0.274 CCCCCCCCC/C=C/COCC(=O)[O-] 34a_100015232335_100020667443 [0,2,0,0,0,0|0,0,2]=4 11391 B16R0.274 CCCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218549 [0,2,0,0,0,0|1,0,1]=4 11392 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,2,0,0,0,0|1,0,0]=3 11393 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,2,0,0,0,0|1,0,0]=3 11394 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,2,0,0,0,0|1,0,0]=3 11395 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,2,0,0,0,0|1,0,0]=3 11396 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,2,0,0,0,0|1,0,0]=3 11397 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,2,0,0,0,0|1,0,0]=3 11398 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,2,0,0,0,0|1,0,0]=3 11399 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,2,0,0,0,0|0,0,0]=2 11400 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,2,0,0,0,0|0,0,1]=3 11401 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [0,2,0,0,0,0|1,0,1]=4 11402 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [0,2,0,0,0,0|1,0,1]=4 11403 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [0,2,0,0,0,0|1,0,1]=4 11404 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [0,2,0,0,0,0|1,0,1]=4 11405 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [0,2,0,0,0,0|1,0,1]=4 11406 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [0,2,0,0,0,0|1,0,1]=4 11407 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [0,2,0,0,0,0|1,0,1]=4 11408 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [0,2,0,0,0,0|1,0,1]=4 11409 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,2,0,0,0,0|1,0,0]=3 11410 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,2,0,0,0,0|1,0,0]=3 11411 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,2,0,0,0,0|1,0,0]=3 11412 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,2,0,0,0,0|0,0,1]=3 11413 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [0,2,0,0,0,0|1,0,1]=4 11414 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [0,2,0,0,0,0|1,0,1]=4 11415 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [0,2,0,0,0,0|1,0,1]=4 11416 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [0,2,0,0,0,0|1,0,1]=4 11417 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [0,2,0,0,0,0|1,0,1]=4 11418 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,2,0,0,0,0|1,0,0]=3 11419 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,2,0,0,0,0|0,0,1]=3 11420 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,2,0,0,0,0|1,0,0]=3 11421 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,2,0,0,0,0|1,0,0]=3 11422 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [0,2,0,0,0,0|1,0,1]=4 11423 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [0,2,0,0,0,0|1,0,1]=4 11424 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [0,2,0,0,0,0|1,0,1]=4 11425 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [0,2,0,0,0,0|1,0,0]=3 11426 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,2,0,0,0,0|0,0,0]=2 11427 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,2,0,0,0,0|1,0,0]=3 11428 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,2,0,0,0,0|1,0,0]=3 11429 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,2,0,0,0,0|1,0,0]=3 11430 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,2,0,0,0,0|1,0,0]=3 11431 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,2,0,0,0,0|1,0,0]=3 11432 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,2,0,0,0,0|1,0,0]=3 11433 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,2,0,0,0,0|1,0,0]=3 11434 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [0,2,0,0,0,0|1,0,1]=4 11435 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [0,2,0,0,0,0|1,0,1]=4 11436 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [0,2,0,0,0,0|1,0,0]=3 11437 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,2,0,0,0,0|1,0,0]=3 11438 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [0,2,0,0,0,0|1,0,0]=3 11439 B16R0.274 CCCCCCCCCCNCCC=C(F)F 2230a_100000684558_200009816681 [0,2,0,0,0,0|2,0,0]=4 11440 B16R0.274 CCCCCCCCCCNCCC=C(F)F 34a_100000684558_200009816681 [0,2,0,0,0,0|2,0,0]=4 11441 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,2,0,0,0,0|1,0,0]=3 11442 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,2,0,0,0,0|1,0,0]=3 11443 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,2,0,0,0,0|1,0,0]=3 11444 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [0,2,0,0,0,0|1,0,1]=4 11445 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [0,2,0,0,0,0|1,0,1]=4 11446 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [0,2,0,0,0,0|2,0,0]=4 11447 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,2,0,0,0,0|1,0,0]=3 11448 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,2,0,0,0,0|1,0,0]=3 11449 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,2,0,0,0,0|1,0,0]=3 11450 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,2,0,0,0,0|1,0,0]=3 11451 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,2,0,0,0,0|1,0,0]=3 11452 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,2,0,0,0,0|1,0,0]=3 11453 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,2,0,0,0,0|1,0,0]=3 11454 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,2,0,0,0,0|1,0,0]=3 11455 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,2,0,0,0,0|1,0,0]=3 11456 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,2,0,0,0,0|1,0,0]=3 11457 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,2,0,0,0,0|1,0,0]=3 11458 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,2,0,0,0,0|1,0,0]=3 11459 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [0,2,0,0,0,0|1,0,1]=4 11460 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [0,2,0,0,0,0|1,0,1]=4 11461 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [0,2,0,0,0,0|1,0,1]=4 11462 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,2,0,0,0,0|1,0,0]=3 11463 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,2,0,0,0,0|1,0,0]=3 11464 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,2,0,0,0,0|1,0,0]=3 11465 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,2,0,0,0,0|1,0,0]=3 11466 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,2,0,0,0,0|1,0,0]=3 11467 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,2,0,0,0,0|1,0,0]=3 11468 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,2,0,0,0,0|1,0,0]=3 11469 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,2,0,0,0,0|1,0,0]=3 11470 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,2,0,0,0,0|1,0,0]=3 11471 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,2,0,0,0,0|1,0,0]=3 11472 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,2,0,0,0,0|1,0,0]=3 11473 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,2,0,0,0,0|1,0,0]=3 11474 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,2,0,0,0,0|1,0,0]=3 11475 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,2,0,0,0,0|1,0,0]=3 11476 B16R0.274 CCCCCCCCCNCCCCB(O)O 2230a_100000212291_200009817182 [0,2,0,0,0,0|1,0,1]=4 11477 B16R0.274 CCCCCCCCCNCCCCB(O)O 34a_100000212291_200009817182 [0,2,0,0,0,0|1,0,1]=4 11478 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,2,0,0,0,0|1,0,0]=3 11479 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,2,0,0,0,0|1,0,0]=3 11480 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,2,0,0,0,0|1,0,0]=3 11481 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,2,0,0,0,0|1,0,0]=3 11482 B16R0.274 CCCCCCCCCNCCCOC(=S)C 2230a_100000212291_200135323944 [0,2,0,0,0,0|1,1,0]=4 11483 B16R0.274 CCCCCCCCCNCCCOC(=S)C 34a_100000212291_200135323944 [0,2,0,0,0,0|1,1,0]=4 11484 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,2,0,0,0,0|1,0,0]=3 11485 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,2,0,0,0,0|1,0,0]=3 11486 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,2,0,0,0,0|1,0,0]=3 11487 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,2,0,0,0,0|1,0,0]=3 11488 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,2,0,0,0,0|0,0,0]=2 11489 B16R0.274 CCCCCCCCCOCCCCB(O)O 34a_100000210712_200009817182 [0,2,0,0,0,0|1,0,1]=4 11490 B16R0.274 CCCCCCCCCOCCCCB(O)O 7a_100000210712_200009817182 [0,2,0,0,0,0|1,0,1]=4 11491 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,2,0,0,0,0|1,0,0]=3 11492 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,2,0,0,0,0|1,0,0]=3 11493 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,2,0,0,0,0|1,0,0]=3 11494 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,2,0,0,0,0|1,0,0]=3 11495 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [0,2,0,0,0,0|1,0,1]=4 11496 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [0,2,0,0,0,0|1,0,1]=4 11497 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,2,0,0,0,0|1,0,0]=3 11498 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,2,0,0,0,0|1,0,0]=3 11499 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,2,0,0,0,0|1,0,0]=3 11500 B16R0.274 CCCCCCCCCOCCCOC(=S)C 34a_100000210712_200135323944 [0,2,0,0,0,0|1,1,0]=4 11501 B16R0.274 CCCCCCCCCOCCCOC(=S)C 7a_100000210712_200135323944 [0,2,0,0,0,0|1,1,0]=4 11502 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,2,0,0,0,0|1,0,0]=3 11503 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,2,0,0,0,0|1,0,0]=3 11504 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,2,0,0,0,0|1,0,0]=3 11505 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,2,0,0,0,0|1,0,0]=3 11506 B16R0.274 CCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210670 [0,2,0,0,0,0|1,0,1]=4 11507 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,2,0,0,0,0|1,0,0]=3 11508 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,2,0,0,0,0|1,0,0]=3 11509 B16R0.274 CCCCCCCCNCCCCCB(O)O 2230a_100000229939_200009817188 [0,2,0,0,0,0|1,0,1]=4 11510 B16R0.274 CCCCCCCCNCCCCCB(O)O 34a_100000229939_200009817188 [0,2,0,0,0,0|1,0,1]=4 11511 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,2,0,0,0,0|1,0,0]=3 11512 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,2,0,0,0,0|1,0,0]=3 11513 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,2,0,0,0,0|1,0,0]=3 11514 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,2,0,0,0,0|1,0,0]=3 11515 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,2,0,0,0,0|1,0,0]=3 11516 B16R0.274 CCCCCCCCNCCCCO[N+](=O)[O-] 34a_100000229939_100015694321 [0,2,0,0,0,0|1,0,1]=4 11517 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,2,0,0,0,0|1,0,0]=3 11518 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,2,0,0,0,0|1,0,0]=3 11519 B16R0.274 CCCCCCCCNCOCCOC(=O)C 34a_100000229939_100000076355 [0,2,0,0,0,0|2,0,0]=4 11520 B16R0.274 CCCCCCCCOCCCCCB(O)O 34a_100000210232_200009817188 [0,2,0,0,0,0|1,0,1]=4 11521 B16R0.274 CCCCCCCCOCCCCCB(O)O 7a_100000210232_200009817188 [0,2,0,0,0,0|1,0,1]=4 11522 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,2,0,0,0,0|1,0,0]=3 11523 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,2,0,0,0,0|1,0,0]=3 11524 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,2,0,0,0,0|1,0,0]=3 11525 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,2,0,0,0,0|1,0,0]=3 11526 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,2,0,0,0,0|0,0,1]=3 11527 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,2,0,0,0,0|1,0,0]=3 11528 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,2,0,0,0,0|1,0,0]=3 11529 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,2,0,0,0,0|1,0,0]=3 11530 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,2,0,0,0,0|1,0,0]=3 11531 B16R0.274 CCCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210232_100015694321 [0,2,0,0,0,0|1,0,1]=4 11532 B16R0.274 CCCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210232_100015694321 [0,2,0,0,0,0|1,0,1]=4 11533 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,2,0,0,0,0|1,0,0]=3 11534 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,2,0,0,0,0|1,0,0]=3 11535 B16R0.274 CCCCCCCCOCOCCOC(=O)C 34a_100000210232_100000076355 [0,2,0,0,0,0|2,0,0]=4 11536 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_100000210759_200009817188 [0,2,0,0,0,0|1,0,1]=4 11537 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210317 [0,2,0,0,0,0|1,0,1]=4 11538 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,2,0,0,0,0|1,0,0]=3 11539 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,2,0,0,0,0|1,0,0]=3 11540 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,2,0,0,0,0|1,0,0]=3 11541 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,2,0,0,0,0|1,0,0]=3 11542 B16R0.274 CCCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210759_100015694321 [0,2,0,0,0,0|1,0,1]=4 11543 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210317 [0,2,0,0,0,0|2,0,0]=4 11544 B16R0.274 CCCCCCCCSCOCCOC(=O)C 62a_100000210759_100000076355 [0,2,0,0,0,0|2,0,0]=4 11545 B16R0.274 CCCCCCCNCCCCCCB(O)O 2230a_100000229938_100009817187 [0,2,0,0,0,0|1,0,1]=4 11546 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [0,2,0,0,0,0|1,0,0]=3 11547 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [0,2,0,0,0,0|1,0,0]=3 11548 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [0,2,0,0,0,0|1,0,0]=3 11549 B16R0.274 CCCCCCCNCCOCCOC(=O)C 2230a_100000229938_200000083610 [0,2,0,0,0,0|2,0,0]=4 11550 B16R0.274 CCCCCCCOCCCCCCB(O)O 34a_100000210272_100009817187 [0,2,0,0,0,0|1,0,1]=4 11551 B16R0.274 CCCCCCCOCCCCCCB(O)O 7a_100000210272_100009817187 [0,2,0,0,0,0|1,0,1]=4 11552 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [0,2,0,0,0,0|1,0,0]=3 11553 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [0,2,0,0,0,0|1,0,0]=3 11554 B16R0.274 CCCCCCCOCCOCCOC(=O)C 34a_100000210272_200000083610 [0,2,0,0,0,0|2,0,0]=4 11555 B16R0.274 CCCCCCCOCCOCCOC(=O)C 7a_100000210272_200000083610 [0,2,0,0,0,0|2,0,0]=4 11556 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100000210614_100009817187 [0,2,0,0,0,0|1,0,1]=4 11557 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210316 [0,2,0,0,0,0|1,0,1]=4 11558 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [0,2,0,0,0,0|1,0,0]=3 11559 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [0,2,0,0,0,0|1,0,0]=3 11560 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_100000210614_200000083610 [0,2,0,0,0,0|2,0,0]=4 11561 B16R0.274 CCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210316 [0,2,0,0,0,0|2,0,0]=4 11562 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [0,2,0,0,0,0|1,0,0]=3 11563 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [0,2,0,0,0,0|1,0,0]=3 11564 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,2,0,0,0,0|1,0,0]=3 11565 B16R0.274 CCCCCCOCCOCCCCB(O)O 34a_100000691444_200009817182 [0,2,0,0,0,0|1,0,1]=4 11566 B16R0.274 CCCCCCOCCOCCCCB(O)O 7a_100000691444_200009817182 [0,2,0,0,0,0|1,0,1]=4 11567 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,2,0,0,0,0|1,0,0]=3 11568 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,2,0,0,0,0|1,0,0]=3 11569 B16R0.274 CCCCCCOCCOCCCOC(=O)C 34a_100000691444_100000042594 [0,2,0,0,0,0|2,0,0]=4 11570 B16R0.274 CCCCCCOCCOCCCOC(=O)C 7a_100000691444_100000042594 [0,2,0,0,0,0|2,0,0]=4 11571 B16R0.274 CCCCCCOCCOCCCSC(=O)C 34a_100000691444_100000038929 [0,2,0,0,0,0|2,0,0]=4 11572 B16R0.274 CCCCCCOCCOCCCSC(=O)C 7a_100000691444_100000038929 [0,2,0,0,0,0|2,0,0]=4 11573 B16R0.274 CCCCCCOCCOCCOCC(=O)N 34a_100000032842_100000187820 [0,2,0,0,0,0|2,0,0]=4 11574 B16R0.274 CCCCCCOCCOCCOCC(=O)N 34a_100000691444_100000076697 [0,2,0,0,0,0|2,0,0]=4 11575 B16R0.274 CCCCCCOCCOCCOCC(=O)N 7a_100000032842_100000187820 [0,2,0,0,0,0|2,0,0]=4 11576 B16R0.274 CCCCCCOCCOCCOCC(=O)N 7a_100000691444_100000076697 [0,2,0,0,0,0|2,0,0]=4 11577 B16R0.274 CCCCCCOCCOCCOCC(=O)[O-] 34a_100000032842_100020667443 [0,2,0,0,0,0|1,0,1]=4 11578 B16R0.274 CCCCCNCCOCCCCCB(O)O 34a_100000224656_200009817188 [0,2,0,0,0,0|1,0,1]=4 11579 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [0,2,0,0,0,0|1,0,0]=3 11580 B16R0.274 CCCCCNCCOCCCCOC(=O)C 34a_100000224656_100000033659 [0,2,0,0,0,0|2,0,0]=4 11581 B16R0.274 CCCCCNCCOCCCCSC(=O)C 34a_100000224656_200010402107 [0,2,0,0,0,0|2,0,0]=4 11582 B16R0.274 CCCCCOCCOCCCCCB(O)O 34a_100011215259_200009817188 [0,2,0,0,0,0|1,0,1]=4 11583 B16R0.274 CCCCCOCCOCCCCCB(O)O 7a_100011215259_200009817188 [0,2,0,0,0,0|1,0,1]=4 11584 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [0,2,0,0,0,0|1,0,0]=3 11585 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [0,2,0,0,0,0|1,0,0]=3 11586 B16R0.274 CCCCCOCCOCCCCOC(=O)C 34a_100011215259_100000033659 [0,2,0,0,0,0|2,0,0]=4 11587 B16R0.274 CCCCCOCCOCCCCOC(=O)C 7a_100011215259_100000033659 [0,2,0,0,0,0|2,0,0]=4 11588 B16R0.274 CCCCCOCCOCCCCSC(=O)C 34a_100011215259_200010402107 [0,2,0,0,0,0|2,0,0]=4 11589 B16R0.274 CCCCCOCCOCCCCSC(=O)C 7a_100011215259_200010402107 [0,2,0,0,0,0|2,0,0]=4 11590 B16R0.274 CCCCNCCCCOCCCCB(O)O 34a_200011216965_200009817182 [0,2,0,0,0,0|1,0,1]=4 11591 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,2,0,0,0,0|1,0,0]=3 11592 B16R0.274 CCCCNCCCCOCCCOC(=O)C 34a_200011216965_100000042594 [0,2,0,0,0,0|2,0,0]=4 11593 B16R0.274 CCCCNCCCCOCCCSC(=O)C 34a_200011216965_100000038929 [0,2,0,0,0,0|2,0,0]=4 11594 B16R0.274 CCCCNCCCCOCCOCC(=O)N 34a_200011216965_100000076697 [0,2,0,0,0,0|2,0,0]=4 11595 B16R0.274 CCCCOCCCCOCCCCB(O)O 34a_200000760531_200009817182 [0,2,0,0,0,0|1,0,1]=4 11596 B16R0.274 CCCCOCCCCOCCCCB(O)O 7a_200000760531_200009817182 [0,2,0,0,0,0|1,0,1]=4 11597 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,2,0,0,0,0|1,0,0]=3 11598 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,2,0,0,0,0|1,0,0]=3 11599 B16R0.274 CCCCOCCCCOCCCOC(=O)C 34a_200000760531_100000042594 [0,2,0,0,0,0|2,0,0]=4 11600 B16R0.274 CCCCOCCCCOCCCOC(=O)C 7a_200000760531_100000042594 [0,2,0,0,0,0|2,0,0]=4 11601 B16R0.274 CCCCOCCCCOCCCSC(=O)C 34a_200000760531_100000038929 [0,2,0,0,0,0|2,0,0]=4 11602 B16R0.274 CCCCOCCCCOCCCSC(=O)C 7a_200000760531_100000038929 [0,2,0,0,0,0|2,0,0]=4 11603 B16R0.274 CCCCOCCCCOCCOCC(=O)N 34a_200000760531_100000076697 [0,2,0,0,0,0|2,0,0]=4 11604 B16R0.274 CCCCOCCCCOCCOCC(=O)N 7a_200000760531_100000076697 [0,2,0,0,0,0|2,0,0]=4 11605 B16R0.274 CCCCOCCCNCCCCCB(O)O 2230a_200000211371_200009817188 [0,2,0,0,0,0|1,0,1]=4 11606 B16R0.274 CCCCOCCCNCCCCCB(O)O 34a_200000211371_200009817188 [0,2,0,0,0,0|1,0,1]=4 11607 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [0,2,0,0,0,0|1,0,0]=3 11608 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [0,2,0,0,0,0|1,0,0]=3 11609 B16R0.274 CCCCOCCCNCCCCOC(=O)C 34a_200000211371_100000033659 [0,2,0,0,0,0|2,0,0]=4 11610 B16R0.274 CCCCOCCCNCCCCSC(=O)C 2230a_200000211371_200010402107 [0,2,0,0,0,0|2,0,0]=4 11611 B16R0.274 CCCCOCCCNCCCCSC(=O)C 34a_200000211371_200010402107 [0,2,0,0,0,0|2,0,0]=4 11612 B16R0.274 CCCCOCCCOCCCCCB(O)O 34a_200011215613_200009817188 [0,2,0,0,0,0|1,0,1]=4 11613 B16R0.274 CCCCOCCCOCCCCCB(O)O 7a_200011215613_200009817188 [0,2,0,0,0,0|1,0,1]=4 11614 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [0,2,0,0,0,0|1,0,0]=3 11615 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [0,2,0,0,0,0|1,0,0]=3 11616 B16R0.274 CCCCOCCCOCCCCOC(=O)C 34a_200011215613_100000033659 [0,2,0,0,0,0|2,0,0]=4 11617 B16R0.274 CCCCOCCCOCCCCOC(=O)C 7a_200011215613_100000033659 [0,2,0,0,0,0|2,0,0]=4 11618 B16R0.274 CCCCOCCCOCCCCSC(=O)C 34a_200011215613_200010402107 [0,2,0,0,0,0|2,0,0]=4 11619 B16R0.274 CCCCOCCCOCCCCSC(=O)C 7a_200011215613_200010402107 [0,2,0,0,0,0|2,0,0]=4 11620 B16R0.274 CCCCOCCNCCCCCNC(=O)C 2230a_200012022750_100000743108 [0,2,0,0,0,0|2,0,0]=4 11621 B16R0.274 CCCCOCCNCCCCCNC(=O)C 34a_200012022750_100000743108 [0,2,0,0,0,0|2,0,0]=4 11622 B16R0.274 CCCCOCCOCCCCCCB(O)O 34a_100000210238_100009817187 [0,2,0,0,0,0|1,0,1]=4 11623 B16R0.274 CCCCOCCOCCCCCCB(O)O 7a_100000210238_100009817187 [0,2,0,0,0,0|1,0,1]=4 11624 B16R0.274 CCCCOCCOCCCCCOC(=O)C 34a_100000210238_100000033007 [0,2,0,0,0,0|2,0,0]=4 11625 B16R0.274 CCCCOCCOCCCCCOC(=O)C 7a_100000210238_100000033007 [0,2,0,0,0,0|2,0,0]=4 11626 B16R0.274 CCCCOCCOCCOCCCC(=O)C 34a_100011215186_100000685027 [0,2,0,0,0,0|2,0,0]=4 11627 B16R0.274 CCCCOCCOCCOCCCC(=O)C 7a_100011215186_100011215641 [0,2,0,0,0,0|2,0,0]=4 11628 B16R0.274 CCCCOCCOCCOCCCC(=O)N 34a_100011215186_100102525003 [0,2,0,0,0,0|2,0,0]=4 11629 B16R0.274 CCCCOCCOCCOCCCC(=O)N 7a_100011215186_100102525003 [0,2,0,0,0,0|2,0,0]=4 11630 B16R0.274 CCCCOCCSCCCCCCB(O)O 62a_100000743108_100009817187 [0,2,0,0,0,0|1,0,1]=4 11631 B16R0.274 CCCCOCCSCCCCCCB(O)O 62a_100009817187_100000743108 [0,2,0,0,0,0|1,0,1]=4 11632 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000033007_100000743108 [0,2,0,0,0,0|2,0,0]=4 11633 B16R0.274 CCCCOCCSCCCCCOC(=O)C 62a_100000743108_100000033007 [0,2,0,0,0,0|2,0,0]=4 11634 B16R0.274 CCCCOCNCCCCCCNC(=O)C 2230a_200011996284_100011995733 [0,2,0,0,0,0|2,0,0]=4 11635 B16R0.274 CCCCOCNCCCCCCNC(=O)C 34a_200011996284_100011995733 [0,2,0,0,0,0|2,0,0]=4 11636 B16R0.274 CCCCOCNCCOCCOCC(=O)O 269956a_100009854275_100011995733 [0,2,0,0,0,0|2,0,0]=4 11637 B16R0.274 CCCCSCCNCCCCCCB(O)O 2230a_100025743550_100009817187 [0,2,0,0,0,0|1,0,1]=4 11638 B16R0.274 CCCCSCCNCCCCCOC(=O)C 2230a_100025743550_100009813381 [0,2,0,0,0,0|2,0,0]=4 11639 B16R0.274 CCCCSCCOCCCCCCB(O)O 34a_200000230436_100009817187 [0,2,0,0,0,0|1,0,1]=4 11640 B16R0.274 CCCCSCCOCCCCCCB(O)O 7a_200000230436_100009817187 [0,2,0,0,0,0|1,0,1]=4 11641 B16R0.274 CCCCSCCOCCCCCOC(=O)C 34a_200000230436_100000033007 [0,2,0,0,0,0|2,0,0]=4 11642 B16R0.274 CCCCSCCOCCCCCOC(=O)C 7a_200000230436_100000033007 [0,2,0,0,0,0|2,0,0]=4 11643 B16R0.274 CCCNCCOCCOCCOCC(=O)O 269956a_100010423269_100000210207 [0,2,0,0,0,0|2,0,0]=4 11644 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,2,0,0,0,0|1,0,0]=3 11645 B16R0.274 CCCOCCCNCCCCCCB(O)O 2230a_100011217757_100009817187 [0,2,0,0,0,0|1,0,1]=4 11646 B16R0.274 CCCOCCCNCCCCCCB(O)O 34a_100011217757_100009817187 [0,2,0,0,0,0|1,0,1]=4 11647 B16R0.274 CCCOCCCNCCCCCOC(=O)C 2230a_100011217757_100009813381 [0,2,0,0,0,0|2,0,0]=4 11648 B16R0.274 CCCOCCCNCCCCCOC(=O)C 34a_100011217757_100000033007 [0,2,0,0,0,0|2,0,0]=4 11649 B16R0.274 CCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215938 [0,2,0,0,0,0|2,0,0]=4 11650 B16R0.274 CCCOCCNCCCCCCNC(=O)C 34a_200011996284_100011215938 [0,2,0,0,0,0|2,0,0]=4 11651 B16R0.274 CCCOCCNCCOCCOCC(=O)O 269956a_100009854275_100011215938 [0,2,0,0,0,0|2,0,0]=4 11652 B16R0.274 CCCOCCOCCNCCCCC(=O)C 34a_200011904461_100009817362 [0,2,0,0,0,0|2,0,0]=4 11653 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,2,0,0,0,0|1,0,0]=3 11654 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,2,0,0,0,0|1,0,0]=3 11655 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [0,2,0,0,0,0|1,0,0]=3 11656 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [0,2,0,0,0,0|1,0,0]=3 11657 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [0,2,0,0,0,0|0,0,1]=3 11658 B16R0.274 CCOCCCCCCCCCOCC(C)O 34a_100009875440_100011218427 [0,2,0,0,0,0|1,0,1]=4 11659 B16R0.274 CCOCCCCCCCCCOCC(C)O 7a_100009875440_100011218427 [0,2,0,0,0,0|1,0,1]=4 11660 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 34a_100009875440_100009817552 [0,2,0,0,0,0|1,0,1]=4 11661 B16R0.274 CCOCCCCCCCCCOC[C@@H](C)O 7a_100009875440_100009817552 [0,2,0,0,0,0|1,0,1]=4 11662 B16R0.274 CCOCCCCCCCCCOC[N+](=O)[O-] 34a_100009875440_100000761209 [0,2,0,0,0,0|1,0,1]=4 11663 B16R0.274 CCOCCCNCCCCCCNC(=O)C 2230a_200011996284_100012232248 [0,2,0,0,0,0|2,0,0]=4 11664 B16R0.274 CCOCCCNCCCCCCNC(=O)C 34a_200011996284_100012232248 [0,2,0,0,0,0|2,0,0]=4 11665 B16R0.274 CCOCCCNCCOCCOCC(=O)O 269956a_100009854275_100012232248 [0,2,0,0,0,0|2,0,0]=4 11666 B16R0.274 CCOCCOCCNCCCCCC(=O)N 2230a_100102712874_100009817443 [0,2,0,0,0,0|2,0,0]=4 11667 B16R0.274 CCOCCOCCNCCCCCC(=O)N 34a_100102712874_100009817443 [0,2,0,0,0,0|2,0,0]=4 11668 B16R0.274 CCOCCOCCOCCCCCC(=O)N 34a_100000123541_100011211534 [0,2,0,0,0,0|2,0,0]=4 11669 B16R0.274 CCOCCOCCOCCCCCC(=O)N 34a_100000210240_100009817443 [0,2,0,0,0,0|2,0,0]=4 11670 B16R0.274 CCOCCOCCOCCCCCC(=O)N 7a_100000123541_100011211534 [0,2,0,0,0,0|2,0,0]=4 11671 B16R0.274 CCOCCOCCOCCCCCC(=O)N 7a_100000210240_100009817443 [0,2,0,0,0,0|2,0,0]=4 11672 B16R0.274 CCOCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011211534 [0,2,0,0,0,0|1,0,1]=4 11673 B16R0.274 CCOCCOCCSCCCCCC(=O)N 62a_100009817443_100011211534 [0,2,0,0,0,0|2,0,0]=4 11674 B16R0.274 CCOCCOCCSCCCCCC(=O)N 62a_100011211534_100009817443 [0,2,0,0,0,0|2,0,0]=4 11675 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [0,2,0,0,0,0|1,0,0]=3 11676 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [0,2,0,0,0,0|1,0,0]=3 11677 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [0,2,0,0,0,0|1,0,0]=3 11678 B16R0.274 CNCCCCCOCCCCCCB(O)O 34a_100000722520_100009817187 [0,2,0,0,0,0|1,0,1]=4 11679 B16R0.274 CNCCCCCOCCCCCOC(=O)C 34a_100000722520_100000033007 [0,2,0,0,0,0|2,0,0]=4 11680 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [0,2,0,0,0,0|1,0,0]=3 11681 B16R0.274 COCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011998445 [0,2,0,0,0,0|2,0,0]=4 11682 B16R0.274 COCCCCCCNCCCCNC(=O)C 34a_200011368371_100011998445 [0,2,0,0,0,0|2,0,0]=4 11683 B16R0.274 COCCCCCCOCCCCCB(O)O 34a_200012092642_200009817188 [0,2,0,0,0,0|1,0,1]=4 11684 B16R0.274 COCCCCCCOCCCCCB(O)O 7a_200012092642_200009817188 [0,2,0,0,0,0|1,0,1]=4 11685 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [0,2,0,0,0,0|1,0,0]=3 11686 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [0,2,0,0,0,0|1,0,0]=3 11687 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [0,2,0,0,0,0|1,0,0]=3 11688 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [0,2,0,0,0,0|1,0,0]=3 11689 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [0,2,0,0,0,0|0,0,1]=3 11690 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_100000073216_100011998445 [0,2,0,0,0,0|2,0,0]=4 11691 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_200012092642_100000033659 [0,2,0,0,0,0|2,0,0]=4 11692 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_100000073216_100011998445 [0,2,0,0,0,0|2,0,0]=4 11693 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_200012092642_100000033659 [0,2,0,0,0,0|2,0,0]=4 11694 B16R0.274 COCCCCCCOCCCCSC(=O)C 34a_200012092642_200010402107 [0,2,0,0,0,0|2,0,0]=4 11695 B16R0.274 COCCCCCCOCCCCSC(=O)C 7a_200012092642_200010402107 [0,2,0,0,0,0|2,0,0]=4 11696 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_100011998445_200009817188 [0,2,0,0,0,0|1,0,1]=4 11697 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_200009817188_100011998445 [0,2,0,0,0,0|1,0,1]=4 11698 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [0,2,0,0,0,0|1,0,0]=3 11699 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [0,2,0,0,0,0|1,0,0]=3 11700 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100000033659_100011998445 [0,2,0,0,0,0|2,0,0]=4 11701 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100011998445_100000033659 [0,2,0,0,0,0|2,0,0]=4 11702 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_100011998445_200010402107 [0,2,0,0,0,0|2,0,0]=4 11703 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_200010402107_100011998445 [0,2,0,0,0,0|2,0,0]=4 11704 B16R0.274 COCCCCCNCCCCCCB(O)O 2230a_100000747528_100009817187 [0,2,0,0,0,0|1,0,1]=4 11705 B16R0.274 COCCCCCNCCCCCCB(O)O 34a_100000747528_100009817187 [0,2,0,0,0,0|1,0,1]=4 11706 B16R0.274 COCCCCCNCCCCCOC(=O)C 2230a_100000747528_100009813381 [0,2,0,0,0,0|2,0,0]=4 11707 B16R0.274 COCCCCCNCCCCCOC(=O)C 34a_100000747528_100000033007 [0,2,0,0,0,0|2,0,0]=4 11708 B16R0.274 COCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000730899 [0,2,0,0,0,0|2,0,0]=4 11709 B16R0.274 COCCCCNCCCCCCNC(=O)C 34a_200011996284_100000755781 [0,2,0,0,0,0|2,0,0]=4 11710 B16R0.274 COCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000730899 [0,2,0,0,0,0|2,0,0]=4 11711 B16R0.274 COCCCOCCCOCCCCC(=O)C 34a_200011215475_100009817362 [0,2,0,0,0,0|2,0,0]=4 11712 B16R0.274 COCCCOCCCOCCCCC(=O)C 7a_200011215475_100000735457 [0,2,0,0,0,0|2,0,0]=4 11713 B16R0.274 COCCOCCCNCCCCCC(=O)N 2230a_100000206027_100009817443 [0,2,0,0,0,0|2,0,0]=4 11714 B16R0.274 COCCOCCCNCCCCCC(=O)N 34a_100000206027_100009817443 [0,2,0,0,0,0|2,0,0]=4 11715 B16R0.274 COCCOCCCOCCCCCC(=O)N 34a_100000123541_100011216529 [0,2,0,0,0,0|2,0,0]=4 11716 B16R0.274 COCCOCCCOCCCCCC(=O)N 7a_100000123541_100011216529 [0,2,0,0,0,0|2,0,0]=4 11717 B16R0.274 COCCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216529 [0,2,0,0,0,0|1,0,1]=4 11718 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100009817443_100011216529 [0,2,0,0,0,0|2,0,0]=4 11719 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100011216529_100009817443 [0,2,0,0,0,0|2,0,0]=4 11720 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [0,2,0,0,0,0|1,0,0]=3 11721 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [0,2,0,0,0,0|1,0,0]=3 11722 B16R0.274 CS(=O)CCCNCCCCCCCCCO 2230a_200000753449_100009813782 [0,2,0,0,0,0|2,0,0]=4 11723 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [0,2,0,0,0,0|1,0,0]=3 11724 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [0,2,0,0,0,0|1,0,0]=3 11725 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [0,2,0,0,0,0|1,0,1]=4 11726 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [0,2,0,0,0,0|1,0,1]=4 11727 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [0,2,0,0,0,0|1,0,1]=4 11728 B16R0.274 N#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100009813337 [0,2,0,0,0,0|1,0,1]=4 11729 B16R0.274 N#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813337 [0,2,0,0,0,0|0,0,2]=4 11730 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009813337_100009817443 [0,2,0,0,0,0|1,0,1]=4 11731 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100009813337 [0,2,0,0,0,0|1,0,1]=4 11732 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_100011215382_200010167045 [0,2,0,0,0,0|1,0,1]=4 11733 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215382 [0,2,0,0,0,0|1,0,1]=4 11734 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [0,2,0,0,0,0|1,0,0]=3 11735 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [0,2,0,0,0,0|1,0,0]=3 11736 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [0,2,0,0,0,0|1,0,0]=3 11737 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [0,2,0,0,0,0|1,0,0]=3 11738 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200010167045_200015260668 [0,2,0,0,0,0|1,0,1]=4 11739 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200015260668_200010167045 [0,2,0,0,0,0|1,0,1]=4 11740 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [0,2,0,0,0,0|1,0,0]=3 11741 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [0,2,0,0,0,0|1,0,0]=3 11742 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [0,2,0,0,0,0|1,0,0]=3 11743 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [0,2,0,0,0,0|1,0,0]=3 11744 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [0,2,0,0,0,0|1,0,0]=3 11745 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [0,2,0,0,0,0|1,0,0]=3 11746 B16R0.274 NC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 11747 B16R0.274 NC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 11748 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [0,2,0,0,0,0|1,0,0]=3 11749 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [0,2,0,0,0,0|1,0,0]=3 11750 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [0,2,0,0,0,0|1,0,0]=3 11751 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [0,2,0,0,0,0|1,0,0]=3 11752 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [0,2,0,0,0,0|1,0,0]=3 11753 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [0,2,0,0,0,0|1,0,0]=3 11754 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,2,0,0,0,0|1,0,0]=3 11755 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,2,0,0,0,0|1,0,0]=3 11756 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,2,0,0,0,0|1,0,0]=3 11757 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,2,0,0,0,0|1,0,0]=3 11758 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,2,0,0,0,0|1,0,0]=3 11759 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,2,0,0,0,0|1,0,0]=3 11760 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,2,0,0,0,0|1,0,0]=3 11761 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,2,0,0,0,0|1,0,0]=3 11762 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,2,0,0,0,0|1,0,0]=3 11763 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,2,0,0,0,0|1,0,0]=3 11764 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,2,0,0,0,0|1,0,0]=3 11765 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,2,0,0,0,0|1,0,0]=3 11766 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,2,0,0,0,0|1,0,0]=3 11767 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,2,0,0,0,0|1,0,0]=3 11768 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,2,0,0,0,0|1,0,0]=3 11769 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,2,0,0,0,0|1,0,0]=3 11770 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,2,0,0,0,0|1,0,0]=3 11771 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,2,0,0,0,0|1,0,0]=3 11772 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,2,0,0,0,0|1,0,0]=3 11773 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,2,0,0,0,0|1,0,0]=3 11774 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,2,0,0,0,0|1,0,0]=3 11775 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [0,2,0,0,0,0|1,0,0]=3 11776 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [0,2,0,0,0,0|1,0,0]=3 11777 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [0,2,0,0,0,0|1,0,0]=3 11778 B16R0.274 NC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 11779 B16R0.274 NC(=O)COCCNCCCCCCCCO 34a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 11780 B16R0.274 NC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000076697 [0,2,0,0,0,0|2,0,0]=4 11781 B16R0.274 NC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000076697 [0,2,0,0,0,0|2,0,0]=4 11782 B16R0.274 NC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000076697 [0,2,0,0,0,0|2,0,0]=4 11783 B16R0.274 NC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000076697 [0,2,0,0,0,0|2,0,0]=4 11784 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000033203_100000076697 [0,2,0,0,0,0|2,0,0]=4 11785 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000076697_100000033203 [0,2,0,0,0,0|2,0,0]=4 11786 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [0,2,0,0,0,0|1,0,0]=3 11787 B16R0.274 NC(=O)NCCNCCCCCCCCCO 2230a_100000078944_200000034859 [0,2,0,0,0,0|2,0,0]=4 11788 B16R0.274 NC(=O)NCCNCCCCCCCCCO 34a_100020590234_100009813782 [0,2,0,0,0,0|2,0,0]=4 11789 B16R0.274 NC(=O)NCCOCCCCCCCCCBr 7a_100009813782_200000034859 [0,2,0,0,0,0|2,0,0]=4 11790 B16R0.274 NC(=O)NCCOCCCCCCCCCCl 7a_100009868337_200000034859 [0,2,0,0,0,0|2,0,0]=4 11791 B16R0.274 NC(=O)NCCOCCCCCCCCCO 34a_100000181757_100009813782 [0,2,0,0,0,0|2,0,0]=4 11792 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_100009813782_200000034859 [0,2,0,0,0,0|2,0,0]=4 11793 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_200000034859_100009813782 [0,2,0,0,0,0|2,0,0]=4 11794 B16R0.274 NC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011214921 [0,2,0,0,0,0|2,0,0]=4 11795 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011214921 [0,2,0,0,0,0|2,0,0]=4 11796 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011214921 [0,2,0,0,0,0|2,0,0]=4 11797 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011214921 [0,2,0,0,0,0|2,0,0]=4 11798 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011214921 [0,2,0,0,0,0|2,0,0]=4 11799 B16R0.274 NC(=O)OCCOCCCCCCCCCO 7a_100000766696_100009813782 [0,2,0,0,0,0|2,0,0]=4 11800 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011214921 [0,2,0,0,0,0|2,0,0]=4 11801 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_200011214921_100009813782 [0,2,0,0,0,0|2,0,0]=4 11802 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,2,0,0,0,0|1,0,0]=3 11803 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,2,0,0,0,0|1,0,0]=3 11804 B16R0.274 NCCCCCCCCCOCCOC(=O)N 34a_100000078944_200011214921 [0,2,0,0,0,0|2,0,0]=4 11805 B16R0.274 NCCCCCCCCOCCCCB(O)O 34a_102515433106_200009817182 [0,2,0,0,0,0|1,0,1]=4 11806 B16R0.274 NCCCCCCCCOCCOCC(=O)N 34a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 11807 B16R0.274 NCCCCCCCOCCCCCB(O)O 34a_100011996573_200009817188 [0,2,0,0,0,0|1,0,1]=4 11808 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [0,2,0,0,0,0|1,0,0]=3 11809 B16R0.274 NCCCCCCOCCCCCCB(O)O 34a_100000686447_100009817187 [0,2,0,0,0,0|1,0,1]=4 11810 B16R0.274 NCCCOCCCOCCCCCC(=O)N 34a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 11811 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [0,2,0,0,0,0|1,0,0]=3 11812 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,2,0,0,0,0|0,0,0]=2 11813 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,2,0,0,0,0|1,0,0]=3 11814 B16R0.274 O=C(O)COCCOCCNCCCCCF 269956a_100009854275_100000729378 [0,2,0,0,0,0|2,0,0]=4 11815 B16R0.274 O=C(O)COCCOCCNCCCCCO 269956a_100009854275_100000746330 [0,2,0,0,0,0|2,0,0]=4 11816 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [0,2,0,0,0,0|1,0,0]=3 11817 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [0,2,0,0,0,0|0,0,1]=3 11818 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [0,2,0,0,0,0|0,0,1]=3 11819 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [0,2,0,0,0,0|0,0,1]=3 11820 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 34a_200015379883_100000033203 [0,2,0,0,0,0|1,0,1]=4 11821 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 7a_200015379883_100000033203 [0,2,0,0,0,0|1,0,1]=4 11822 B16R0.274 O=[N+]([O-])CCCOCCCCCCCCCO 34a_200000037920_100009813782 [0,2,0,0,0,0|1,0,1]=4 11823 B16R0.274 O=[N+]([O-])COCCCCCCCCCCCBr 34a_100009812471_100000761209 [0,2,0,0,0,0|1,0,1]=4 11824 B16R0.274 O=[N+]([O-])CSCCCCCCCCCCCO 62a_100009812471_100000761209 [0,2,0,0,0,0|1,0,1]=4 11825 B16R0.274 OB(O)CCCCCCOCCCCCCBr 34a_100011215345_100009817187 [0,2,0,0,0,0|1,0,1]=4 11826 B16R0.274 OB(O)CCCCCCOCCCCCCBr 7a_100011215345_100009817187 [0,2,0,0,0,0|1,0,1]=4 11827 B16R0.274 OB(O)CCCCCCOCCCCCCCl 34a_100000766143_100009817187 [0,2,0,0,0,0|1,0,1]=4 11828 B16R0.274 OB(O)CCCCCCOCCCCCCCl 7a_100000766143_100009817187 [0,2,0,0,0,0|1,0,1]=4 11829 B16R0.274 OB(O)CCCCCCOCCCCCCF 34a_100000732779_100009817187 [0,2,0,0,0,0|1,0,1]=4 11830 B16R0.274 OB(O)CCCCCCOCCCCCCF 7a_100000732779_100009817187 [0,2,0,0,0,0|1,0,1]=4 11831 B16R0.274 OB(O)CCCCCCSCCCCCCF 62a_100009817187_100015922095 [0,2,0,0,0,0|1,0,1]=4 11832 B16R0.274 OB(O)CCCCCCSCCCCCCF 62a_100015922095_100009817187 [0,2,0,0,0,0|1,0,1]=4 11833 B16R0.274 OB(O)CCCCCOCCCCCCCBr 34a_100000760002_200009817188 [0,2,0,0,0,0|1,0,1]=4 11834 B16R0.274 OB(O)CCCCCOCCCCCCCBr 7a_100000760002_200009817188 [0,2,0,0,0,0|1,0,1]=4 11835 B16R0.274 OB(O)CCCCOCCCCCCCCBr 34a_100009813846_200009817182 [0,2,0,0,0,0|1,0,1]=4 11836 B16R0.274 OB(O)CCCCOCCCCCCCCBr 7a_100009813846_200009817182 [0,2,0,0,0,0|1,0,1]=4 11837 B16R0.274 OB(O)CCCCOCCCCCCCCCl 34a_100000033203_200009817182 [0,2,0,0,0,0|1,0,1]=4 11838 B16R0.274 OB(O)CCCCOCCCCCCCCCl 7a_100000033203_200009817182 [0,2,0,0,0,0|1,0,1]=4 11839 B16R0.274 OCCCCCCCCNCCCCB(O)O 2230a_102515433106_200009817182 [0,2,0,0,0,0|1,0,1]=4 11840 B16R0.274 OCCCCCCCCNCCCCB(O)O 34a_102515433106_200009817182 [0,2,0,0,0,0|1,0,1]=4 11841 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_100000033203_200009817182 [0,2,0,0,0,0|1,0,1]=4 11842 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_200009817182_100000033203 [0,2,0,0,0,0|1,0,1]=4 11843 B16R0.274 OCCCCCCCNCCCCCB(O)O 2230a_100011996573_200009817188 [0,2,0,0,0,0|1,0,1]=4 11844 B16R0.274 OCCCCCCCNCCCCCB(O)O 34a_100011996573_200009817188 [0,2,0,0,0,0|1,0,1]=4 11845 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_100000760002_200009817188 [0,2,0,0,0,0|1,0,1]=4 11846 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_200009817188_100000760002 [0,2,0,0,0,0|1,0,1]=4 11847 B16R0.274 OCCCCCCNCCCCCCB(O)O 2230a_100000686447_100009817187 [0,2,0,0,0,0|1,0,1]=4 11848 B16R0.274 OCCCCCCNCCCCCCB(O)O 34a_100000686447_100009817187 [0,2,0,0,0,0|1,0,1]=4 11849 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100000766143_100009817187 [0,2,0,0,0,0|1,0,1]=4 11850 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100009817187_100000766143 [0,2,0,0,0,0|1,0,1]=4 11851 B16R0.297 C#CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100153394163 [0,2,0,0,0,0|0,0,2]=4 11852 B16R0.297 C=CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012355270 [0,2,0,0,0,0|0,0,2]=4 11853 B16R0.297 CC(CCCC(=O)[O-])OCCCCCCCO 7a_100000761597_100000760002 [0,2,0,0,0,0|1,0,1]=4 11854 B16R0.297 CCCCC#CCCCN(C)CCCC(=O)O 269956a_100000719178_200000047210 [0,2,0,0,0,0|0,0,2]=4 11855 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [0,2,0,0,0,0|1,0,0]=3 11856 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [0,2,0,0,0,0|1,0,0]=3 11857 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [0,2,0,0,0,0|1,0,1]=4 11858 B16R0.297 CCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210670 [0,2,0,0,0,0|1,0,1]=4 11859 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210670 [0,2,0,0,0,0|1,0,1]=4 11860 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210558_100000189650 [0,2,0,0,0,0|1,0,1]=4 11861 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210670 [0,2,0,0,0,0|1,0,1]=4 11862 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210558_200000034859 [0,2,0,0,0,0|1,0,1]=4 11863 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210558_100009814007 [0,2,0,0,0,0|1,0,1]=4 11864 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210558_200011214921 [0,2,0,0,0,0|1,0,1]=4 11865 B16R0.297 CCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210670 [0,2,0,0,0,0|1,0,1]=4 11866 B16R0.297 CCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210670 [0,2,0,0,0,0|1,0,1]=4 11867 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210558 [0,2,0,0,0,0|1,0,1]=4 11868 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210558 [0,2,0,0,0,0|1,0,1]=4 11869 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210558 [0,2,0,0,0,0|1,0,1]=4 11870 B16R0.297 CCCCCCCCCC(C)CNCC(C)O 270004a_100000210904_200011218516 [0,2,0,0,0,0|1,0,1]=4 11871 B16R0.297 CCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011215753 [0,2,0,0,0,0|1,0,1]=4 11872 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [0,2,0,0,0,0|1,0,0]=3 11873 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [0,2,0,0,0,0|1,0,0]=3 11874 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [0,2,0,0,0,0|1,0,0]=3 11875 B16R0.297 CCCCCCCCCC(C)OCCC(C)O 34a_100011218016_100012276601 [0,2,0,0,0,0|1,0,1]=4 11876 B16R0.297 CCCCCCCCCC(C)OCCC(C)O 7a_100011218016_100012276601 [0,2,0,0,0,0|1,0,1]=4 11877 B16R0.297 CCCCCCCCCC(C)OCOC(=O)C 34a_100011218016_100009813279 [0,2,0,0,0,0|2,0,0]=4 11878 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [0,2,0,0,0,0|1,0,0]=3 11879 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [0,2,0,0,0,0|1,0,0]=3 11880 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,2,0,0,0,0|0,0,0]=2 11881 B16R0.297 CCCCCCCCCN(C)CCCC(C)O 2230a_100000232482_200000718107 [0,2,0,0,0,0|1,0,1]=4 11882 B16R0.297 CCCCCCCCCN(C)CCCC(C)O 269982a_100000232482_200000718107 [0,2,0,0,0,0|1,0,1]=4 11883 B16R0.297 CCCCCCCCCN(C)CCNC(=O)C 2230a_100000232482_100000189650 [0,2,0,0,0,0|2,0,0]=4 11884 B16R0.297 CCCCCCCCCN(C)CCNC(=O)C 269982a_100000232482_100000189650 [0,2,0,0,0,0|2,0,0]=4 11885 B16R0.297 CCCCCCCCCN(C)CCNC(=O)N 2230a_100000232482_200000034859 [0,2,0,0,0,0|2,0,0]=4 11886 B16R0.297 CCCCCCCCCN(C)CCNC(=O)N 269982a_100000232482_200000034859 [0,2,0,0,0,0|2,0,0]=4 11887 B16R0.297 CCCCCCCCCN(C)CCOC(=O)C 269982a_100000232482_100009814007 [0,2,0,0,0,0|2,0,0]=4 11888 B16R0.297 CCCCCCCCCN(C)CCOC(=O)N 269982a_100000232482_200011214921 [0,2,0,0,0,0|2,0,0]=4 11889 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [0,2,0,0,0,0|0,0,1]=3 11890 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [0,2,0,0,0,0|1,0,0]=3 11891 B16R0.297 COCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011998445 [0,2,0,0,0,0|1,0,1]=4 11892 B16R0.1188 CCCCCCCCCCCCNS(=O)(=O)C 40a_100000210451_100000738038 [0,2,0,0,0,0|1,0,1]=4 11893 B16R0.1188 CCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_100011215454 [0,2,0,0,0,0|1,0,1]=4 11894 B16R0.1188 CCCCCCCCCCCNCC(C)(C)O 34a_200011215754_100000764493 [0,2,0,0,0,0|1,0,1]=4 11895 B16R0.1188 CCCCCCCCCCCNCS(=O)(=O)[O-] 34a_200011215754_100009817235 [0,2,0,0,0,0|1,0,1]=4 11896 B16R0.1188 CCCCCCCCCCCOCC(C)(C)O 34a_100000210809_100000764493 [0,2,0,0,0,0|1,0,1]=4 11897 B16R0.1188 CCCCCCCCCCCOCC(C)(C)O 7a_100000210809_100000764493 [0,2,0,0,0,0|1,0,1]=4 11898 B16R0.1188 CCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210809_100009817235 [0,2,0,0,0,0|1,0,1]=4 11899 B16R0.1188 CCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100011215454 [0,2,0,0,0,0|1,0,1]=4 11900 B16R0.1188 CCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011215454 [0,2,0,0,0,0|1,0,1]=4 11901 B16R0.1188 CCCCCCCCCCNCCC(C)(C)O 2230a_100000684558_100000702414 [0,2,0,0,0,0|1,0,1]=4 11902 B16R0.1188 CCCCCCCCCCNCCC(C)(C)O 34a_100000684558_100000702414 [0,2,0,0,0,0|1,0,1]=4 11903 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 2230a_100000684558_100000731031 [0,2,0,0,0,0|1,0,1]=4 11904 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210320 [0,2,0,0,0,0|1,0,1]=4 11905 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 34a_100000684558_100000731031 [0,2,0,0,0,0|1,0,1]=4 11906 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210320 [0,2,0,0,0,0|1,0,1]=4 11907 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210320 [0,2,0,0,0,0|1,0,1]=4 11908 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210320 [0,2,0,0,0,0|1,0,1]=4 11909 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000684558_100000737633 [0,2,0,0,0,0|1,0,1]=4 11910 B16R0.1188 CCCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000684558_100000762736 [0,2,0,0,0,0|1,0,1]=4 11911 B16R0.1188 CCCCCCCCCCOCCC(C)(C)O 34a_100000210711_100000702414 [0,2,0,0,0,0|1,0,1]=4 11912 B16R0.1188 CCCCCCCCCCOCCC(C)(C)O 7a_100000210711_100000702414 [0,2,0,0,0,0|1,0,1]=4 11913 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 34a_100000210711_100000731031 [0,2,0,0,0,0|1,0,1]=4 11914 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210320 [0,2,0,0,0,0|1,0,1]=4 11915 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 7a_100000210711_100000230027 [0,2,0,0,0,0|1,0,1]=4 11916 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210320 [0,2,0,0,0,0|1,0,1]=4 11917 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210320 [0,2,0,0,0,0|1,0,1]=4 11918 B16R0.1188 CCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210711_100000762736 [0,2,0,0,0,0|1,0,1]=4 11919 B16R0.1188 CCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210320 [0,2,0,0,0,0|1,0,1]=4 11920 B16R0.1188 CCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210320 [0,2,0,0,0,0|1,0,1]=4 11921 B16R0.1188 CCCCCCCCCNCCCC(C)(C)O 2230a_100000212291_100009888830 [0,2,0,0,0,0|1,0,1]=4 11922 B16R0.1188 CCCCCCCCCNCCCC(C)(C)O 34a_100000212291_100009888830 [0,2,0,0,0,0|1,0,1]=4 11923 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 2230a_100000212291_100000754308 [0,2,0,0,0,0|1,0,1]=4 11924 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011214924 [0,2,0,0,0,0|1,0,1]=4 11925 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 34a_100000212291_100000754308 [0,2,0,0,0,0|1,0,1]=4 11926 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100011214924 [0,2,0,0,0,0|1,0,1]=4 11927 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)N 2230a_100000212291_100000750626 [0,2,0,0,0,0|1,0,1]=4 11928 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)N 34a_100000212291_100000750626 [0,2,0,0,0,0|1,0,1]=4 11929 B16R0.1188 CCCCCCCCCNCCCS(=O)(=O)[O-] 34a_100000212291_100009813499 [0,2,0,0,0,0|1,0,1]=4 11930 B16R0.1188 CCCCCCCCCOCCCC(C)(C)O 34a_100000210712_100009888830 [0,2,0,0,0,0|1,0,1]=4 11931 B16R0.1188 CCCCCCCCCOCCCC(C)(C)O 7a_100000210712_100009888830 [0,2,0,0,0,0|1,0,1]=4 11932 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 34a_100000210712_100000754308 [0,2,0,0,0,0|1,0,1]=4 11933 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100011214924 [0,2,0,0,0,0|1,0,1]=4 11934 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 7a_100000210712_100000754308 [0,2,0,0,0,0|1,0,1]=4 11935 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210328 [0,2,0,0,0,0|1,0,1]=4 11936 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)N 34a_100000210712_100000750626 [0,2,0,0,0,0|1,0,1]=4 11937 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)N 7a_100000210712_100000750626 [0,2,0,0,0,0|1,0,1]=4 11938 B16R0.1188 CCCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210712_100009813499 [0,2,0,0,0,0|1,0,1]=4 11939 B16R0.1188 CCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210670 [0,2,0,0,0,0|1,0,1]=4 11940 B16R0.1188 CCCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210670 [0,2,0,0,0,0|1,0,1]=4 11941 B16R0.1188 CCCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210670 [0,2,0,0,0,0|1,0,1]=4 11942 B16R0.1188 CCCCCCCNCCCCCC(C)(C)O 2230a_100000229938_100010402123 [0,2,0,0,0,0|1,0,1]=4 11943 B16R0.1188 CCCCCCCOCCCCCC(C)(C)O 34a_100000210272_100010402123 [0,2,0,0,0,0|1,0,1]=4 11944 B16R0.1188 CCCCCCCOCCCCCC(C)(C)O 7a_100000210272_100010402123 [0,2,0,0,0,0|1,0,1]=4 11945 B16R0.1469 CCCCCC(=O)COCCCCCC(=O)N 34a_100000123541_200012276598 [0,2,0,0,0,0|1,0,1]=4 11946 B16R0.1469 CCCCCC(=O)COCCCCCC(=O)N 7a_100000123541_200012276598 [0,2,0,0,0,0|1,0,1]=4 11947 B16R0.1469 CCCCCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_200012276598 [0,2,0,0,0,0|0,0,2]=4 11948 B16R0.1469 CCCCCC(=O)CSCCCCCC(=O)N 62a_100009817443_200012276598 [0,2,0,0,0,0|1,0,1]=4 11949 B16R0.1469 CCCCCC(=O)CSCCCCCC(=O)N 62a_200012276598_100009817443 [0,2,0,0,0,0|1,0,1]=4 11950 B16R0.1469 CCCCCC(C)NCCCCCCB(O)O 2230a_100000211957_100009817187 [0,2,0,0,0,0|1,0,1]=4 11951 B16R0.1469 CCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011218191 [0,2,0,0,0,0|2,0,0]=4 11952 B16R0.1469 CCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211708 [0,2,0,0,0,0|2,0,0]=4 11953 B16R0.1469 CCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011218191 [0,2,0,0,0,0|2,0,0]=4 11954 B16R0.1469 CCCCCC(C)NCCCCCOC(=O)C 2230a_100000211957_100009813381 [0,2,0,0,0,0|2,0,0]=4 11955 B16R0.1469 CCCCCC(C)OCCCCCCB(O)O 34a_100011215632_100009817187 [0,2,0,0,0,0|1,0,1]=4 11956 B16R0.1469 CCCCCC(C)OCCCCCCB(O)O 7a_100011215632_100009817187 [0,2,0,0,0,0|1,0,1]=4 11957 B16R0.1469 CCCCCC(C)OCCCCCOC(=O)C 34a_100011215632_100000033007 [0,2,0,0,0,0|2,0,0]=4 11958 B16R0.1469 CCCCCC(C)OCCCCCOC(=O)C 7a_100011215632_100000033007 [0,2,0,0,0,0|2,0,0]=4 11959 B16R0.1469 CCCCCC(C)SCCCCCCB(O)O 62a_100009817187_200011218191 [0,2,0,0,0,0|1,0,1]=4 11960 B16R0.1469 CCCCCC(C)SCCCCCCB(O)O 62a_200011218191_100009817187 [0,2,0,0,0,0|1,0,1]=4 11961 B16R0.1469 CCCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011218191 [0,2,0,0,0,0|2,0,0]=4 11962 B16R0.1469 CCCCCC(C)SCCCCCOC(=O)C 62a_200011218191_100000033007 [0,2,0,0,0,0|2,0,0]=4 11963 B16R0.1469 NCCCC[C@H](N)COCCCCCC(=O)N 34a_100016993712_100009817443 [0,2,0,0,0,0|2,0,0]=4 11964 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [0,2,0,0,0,0|1,0,0]=3 11965 B16R0.3288 CC(=O)CCCCOCCCCCNC(C)C 34a_100011629493_100009817362 [0,2,0,0,0,0|2,0,0]=4 11966 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [0,2,0,0,0,0|1,0,0]=3 11967 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [0,2,0,0,0,0|1,0,0]=3 11968 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)C 2230a_200011996284_100011214892 [0,2,0,0,0,0|2,0,0]=4 11969 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)C 34a_200011996284_100011214892 [0,2,0,0,0,0|2,0,0]=4 11970 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)O 2230a_200011996284_200000718107 [0,2,0,0,0,0|2,0,0]=4 11971 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)O 34a_200011996284_200000718107 [0,2,0,0,0,0|2,0,0]=4 11972 B16R0.3288 CC(=O)NCCCCCNCCCCC(C)C 2230a_200012022750_100011216152 [0,2,0,0,0,0|2,0,0]=4 11973 B16R0.3288 CC(=O)NCCCCCNCCCCC(C)C 34a_200012022750_100011216152 [0,2,0,0,0,0|2,0,0]=4 11974 B16R0.3288 CC(=O)NCCCCNCCCCCC(C)C 2230a_200011368371_100000210682 [0,2,0,0,0,0|2,0,0]=4 11975 B16R0.3288 CC(=O)NCCCCNCCCCCC(C)C 34a_200011368371_100000210682 [0,2,0,0,0,0|2,0,0]=4 11976 B16R0.3288 CC(=O)NCCOCCCCCCCC(C)C 7a_200000210741_100000189650 [0,2,0,0,0,0|2,0,0]=4 11977 B16R0.3288 CC(=O)OCCCCCOCCCCC(C)C 34a_100011214890_100000033007 [0,2,0,0,0,0|2,0,0]=4 11978 B16R0.3288 CC(=O)OCCCCCOCCCCC(C)C 7a_100011214890_100000033007 [0,2,0,0,0,0|2,0,0]=4 11979 B16R0.3288 CC(=O)OCCCCCSCCCCC(C)C 62a_100000033007_100011216152 [0,2,0,0,0,0|2,0,0]=4 11980 B16R0.3288 CC(=O)OCCCCCSCCCCC(C)C 62a_100011216152_100000033007 [0,2,0,0,0,0|2,0,0]=4 11981 B16R0.3288 CC(=O)OCCCCNCCCCCC(C)C 34a_100011290863_100000033659 [0,2,0,0,0,0|2,0,0]=4 11982 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 34a_100000073216_100000210682 [0,2,0,0,0,0|2,0,0]=4 11983 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 34a_100011995859_100000033659 [0,2,0,0,0,0|2,0,0]=4 11984 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 7a_100000073216_100000210682 [0,2,0,0,0,0|2,0,0]=4 11985 B16R0.3288 CC(=O)OCCCCOCCCCCC(C)C 7a_100011995859_100000033659 [0,2,0,0,0,0|2,0,0]=4 11986 B16R0.3288 CC(=O)OCCCCSCCCCCC(C)C 62a_100000033659_100000210682 [0,2,0,0,0,0|2,0,0]=4 11987 B16R0.3288 CC(=O)OCCCCSCCCCCC(C)C 62a_100000210682_100000033659 [0,2,0,0,0,0|2,0,0]=4 11988 B16R0.3288 CC(=O)OCCCNCCCCCCC(C)C 34a_100000211014_100000042594 [0,2,0,0,0,0|2,0,0]=4 11989 B16R0.3288 CC(=O)OCCOCCCCCCCC(C)C 34a_200000210741_100009814007 [0,2,0,0,0,0|2,0,0]=4 11990 B16R0.3288 CC(=O)OCCOCCCCCCCC(C)C 7a_200000210741_100009814007 [0,2,0,0,0,0|2,0,0]=4 11991 B16R0.3288 CC(=O)SCCCCNCCCCCC(C)C 2230a_100011290863_200010402107 [0,2,0,0,0,0|2,0,0]=4 11992 B16R0.3288 CC(=O)SCCCCNCCCCCC(C)C 34a_100011290863_200010402107 [0,2,0,0,0,0|2,0,0]=4 11993 B16R0.3288 CC(=O)SCCCCOCCCCCC(C)C 34a_100011995859_200010402107 [0,2,0,0,0,0|2,0,0]=4 11994 B16R0.3288 CC(=O)SCCCCOCCCCCC(C)C 7a_100011995859_200010402107 [0,2,0,0,0,0|2,0,0]=4 11995 B16R0.3288 CC(=O)SCCCNCCCCCCC(C)C 2230a_100000211014_100000038929 [0,2,0,0,0,0|2,0,0]=4 11996 B16R0.3288 CC(=O)SCCCNCCCCCCC(C)C 34a_100000211014_100000038929 [0,2,0,0,0,0|2,0,0]=4 11997 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [0,2,0,0,0,0|1,0,0]=3 11998 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [0,2,0,0,0,0|1,0,0]=3 11999 B16R0.3288 CC(C)CCCCCCCOCCCC(C)O 34a_200000210741_200000718107 [0,2,0,0,0,0|1,0,1]=4 12000 B16R0.3288 CC(C)CCCCCCCOCCCC(C)O 7a_200000210741_200000718107 [0,2,0,0,0,0|1,0,1]=4 12001 B16R0.3288 CC(C)CCCCCCCOCCNC(=O)N 7a_200000210741_200000034859 [0,2,0,0,0,0|2,0,0]=4 12002 B16R0.3288 CC(C)CCCCCCCOCCOC(=O)N 34a_200000210741_200011214921 [0,2,0,0,0,0|2,0,0]=4 12003 B16R0.3288 CC(C)CCCCCCCOCCOC(=O)N 7a_200000210741_200011214921 [0,2,0,0,0,0|2,0,0]=4 12004 B16R0.3288 CC(C)CCCCCCNCCCCB(O)O 2230a_100000211014_200009817182 [0,2,0,0,0,0|1,0,1]=4 12005 B16R0.3288 CC(C)CCCCCCNCCCCB(O)O 34a_100000211014_200009817182 [0,2,0,0,0,0|1,0,1]=4 12006 B16R0.3288 CC(C)CCCCCCNCCOCC(=O)N 2230a_100000211014_100000076697 [0,2,0,0,0,0|2,0,0]=4 12007 B16R0.3288 CC(C)CCCCCCNCCOCC(=O)N 34a_100000211014_100000076697 [0,2,0,0,0,0|2,0,0]=4 12008 B16R0.3288 CC(C)CCCCCNCCCCCB(O)O 2230a_100011290863_200009817188 [0,2,0,0,0,0|1,0,1]=4 12009 B16R0.3288 CC(C)CCCCCNCCCCCB(O)O 34a_100011290863_200009817188 [0,2,0,0,0,0|1,0,1]=4 12010 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [0,2,0,0,0,0|1,0,0]=3 12011 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [0,2,0,0,0,0|1,0,0]=3 12012 B16R0.3288 CC(C)CCCCCOCCCCCB(O)O 34a_100011995859_200009817188 [0,2,0,0,0,0|1,0,1]=4 12013 B16R0.3288 CC(C)CCCCCOCCCCCB(O)O 7a_100011995859_200009817188 [0,2,0,0,0,0|1,0,1]=4 12014 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [0,2,0,0,0,0|1,0,0]=3 12015 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [0,2,0,0,0,0|1,0,0]=3 12016 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [0,2,0,0,0,0|1,0,0]=3 12017 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [0,2,0,0,0,0|1,0,0]=3 12018 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [0,2,0,0,0,0|0,0,1]=3 12019 B16R0.3288 CC(C)CCCCCSCCCCCB(O)O 62a_100000210682_200009817188 [0,2,0,0,0,0|1,0,1]=4 12020 B16R0.3288 CC(C)CCCCCSCCCCCB(O)O 62a_200009817188_100000210682 [0,2,0,0,0,0|1,0,1]=4 12021 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [0,2,0,0,0,0|1,0,0]=3 12022 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [0,2,0,0,0,0|1,0,0]=3 12023 B16R0.3288 CC(C)CCCCOCCCCCCB(O)O 34a_100011214890_100009817187 [0,2,0,0,0,0|1,0,1]=4 12024 B16R0.3288 CC(C)CCCCOCCCCCCB(O)O 7a_100011214890_100009817187 [0,2,0,0,0,0|1,0,1]=4 12025 B16R0.3288 CC(C)CCCCSCCCCCCB(O)O 62a_100009817187_100011216152 [0,2,0,0,0,0|1,0,1]=4 12026 B16R0.3288 CC(C)CCCCSCCCCCCB(O)O 62a_100011216152_100009817187 [0,2,0,0,0,0|1,0,1]=4 12027 B16R0.3288 CC(C)CCCNCCOCCOCC(=O)O 269956a_100009854275_100011214892 [0,2,0,0,0,0|2,0,0]=4 12028 B16R0.3288 CC(C)COCCCNCCCCCC(=O)N 2230a_100000205972_100009817443 [0,2,0,0,0,0|2,0,0]=4 12029 B16R0.3288 CC(C)COCCCNCCCCCC(=O)N 34a_100000205972_100009817443 [0,2,0,0,0,0|2,0,0]=4 12030 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [0,2,0,0,0,0|1,0,0]=3 12031 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [0,2,0,0,0,0|1,0,0]=3 12032 B16R0.3288 CC(C)NCCCCOCCCCCC(=O)N 34a_100011521146_100009817443 [0,2,0,0,0,0|2,0,0]=4 12033 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [0,2,0,0,0,0|1,0,0]=3 12034 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [0,2,0,0,0,0|1,0,0]=3 12035 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [0,2,0,0,0,0|1,0,0]=3 12036 B16R0.3288 CC(O)CCCNCCOCCOCC(=O)O 269956a_100009854275_200000718107 [0,2,0,0,0,0|2,0,0]=4 12037 B16R0.155 CCCCCCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_100011215978 [0,2,0,0,0,0|1,0,1]=4 12038 B16R0.862 CCCCCCC(C)(C)OCCCCC(=O)C 7a_200011995690_100000735457 [0,2,0,0,0,0|2,0,0]=4 12039 B16R0.3152 CCCCCC(C)C(=O)CCCCCC(=O)N 1458a_100011215998_100009817443 [0,2,0,0,0,0|1,0,1]=4 12040 B16R0.4707 C=CC(CCCCCC)OCCCCC(=O)C 34a_200011215977_100009817362 [0,2,0,0,0,0|2,0,0]=4 12041 B16R0.4707 C=CC(CCCCCC)OCCCCC(=O)C 7a_200011215977_100000735457 [0,2,0,0,0,0|2,0,0]=4 12042 B16R0.4707 CCCCCCC(CC)NCCCCC(=O)N 270004a_100000696515_100011219640 [0,2,0,0,0,0|2,0,0]=4 12043 B16R0.4707 CCCCCCC(CC)OCCCCC(=O)C 34a_100011215785_100009817362 [0,2,0,0,0,0|2,0,0]=4 12044 B16R0.4707 CCCCCCC(CC)OCCCCC(=O)C 7a_100011215785_100000735457 [0,2,0,0,0,0|2,0,0]=4 12045 B16R0.1154 CCCCC(CC)CCCCNOCC(=O)O 269956a_100000106656_200012094884 [0,2,0,0,0,0|2,0,0]=4 12046 B16R0.1154 CCCCC(CC)CCCCOCCC(=O)C 34a_100000759926_200012094884 [0,2,0,0,0,0|2,0,0]=4 12047 B16R0.1154 CCCCC(CC)CCCCOCCC(=O)C 7a_100000759926_200012094884 [0,2,0,0,0,0|2,0,0]=4 12048 B16R0.1154 CCCCC(CC)CCCCOCCC(=O)N 34a_100000757172_200012094884 [0,2,0,0,0,0|2,0,0]=4 12049 B16R0.1154 CCCCC(CC)CCCCOCCC(=O)N 7a_100000757172_200012094884 [0,2,0,0,0,0|2,0,0]=4 12050 B16R0.1154 CCCCC(CC)CCCCSCCC(=O)N 62a_100000744528_200012094884 [0,2,0,0,0,0|2,0,0]=4 12051 B16R0.1154 CCCCC(CC)CCCCSCCC(=O)N 62a_200012094884_100000744528 [0,2,0,0,0,0|2,0,0]=4 12052 B16R0.1154 CCCCC(CC)CNCCCCCC(=O)N 2230a_100000209976_100009817443 [0,2,0,0,0,0|2,0,0]=4 12053 B16R0.1154 CCCCC(CC)COCCCCCC(=O)N 34a_100000123541_100000211942 [0,2,0,0,0,0|2,0,0]=4 12054 B16R0.1154 CCCCC(CC)COCCCCCC(=O)N 34a_100000210273_100009817443 [0,2,0,0,0,0|2,0,0]=4 12055 B16R0.1154 CCCCC(CC)COCCCCCC(=O)N 7a_100000123541_100000211942 [0,2,0,0,0,0|2,0,0]=4 12056 B16R0.1154 CCCCC(CC)COCCCCCC(=O)N 7a_100000210273_100009817443 [0,2,0,0,0,0|2,0,0]=4 12057 B16R0.1154 CCCCC(CC)COCCCCCC(=O)[O-] 7a_100102619762_100000211942 [0,2,0,0,0,0|1,0,1]=4 12058 B16R0.1154 CCCCC(CC)CSCCCCCC(=O)N 62a_100000211942_100009817443 [0,2,0,0,0,0|2,0,0]=4 12059 B16R0.1154 CCCCC(CC)CSCCCCCC(=O)N 62a_100009817443_100000211942 [0,2,0,0,0,0|2,0,0]=4 12060 B16R0.1769 CCCCC(C)(C)COCCCCCC(=O)N 7a_200011995781_100009817443 [0,2,0,0,0,0|2,0,0]=4 12061 B16R0.331 CC(=O)CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100011215641 [0,2,0,0,0,0|1,0,1]=4 12062 B16R0.331 CC(=O)CCCOCCC(C)CCCC(C)C 34a_100000015991_100000685027 [0,2,0,0,0,0|2,0,0]=4 12063 B16R0.331 CC(=O)CCCOCCC(C)CCCC(C)C 34a_100000759063_100009816328 [0,2,0,0,0,0|2,0,0]=4 12064 B16R0.331 CC(=O)CCCOCCC(C)CCCC(C)C 7a_100000015991_100011215641 [0,2,0,0,0,0|2,0,0]=4 12065 B16R0.331 CC(=O)CCCOCCC(C)CCCC(C)C 7a_100000759063_100009816328 [0,2,0,0,0,0|2,0,0]=4 12066 B16R0.331 CC(=O)CCCSCCC(C)CCCC(C)C 62a_100009816328_100011215641 [0,2,0,0,0,0|2,0,0]=4 12067 B16R0.331 CC(=O)CCCSCCC(C)CCCC(C)C 62a_100011215641_100009816328 [0,2,0,0,0,0|2,0,0]=4 12068 B16R0.331 CC(C)CCCC(C)CCNCCCC(=O)N 34a_100000739312_100009816328 [0,2,0,0,0,0|2,0,0]=4 12069 B16R0.331 CC(C)CCCC(C)CCOCCCC(=O)N 34a_100000015991_100102525003 [0,2,0,0,0,0|2,0,0]=4 12070 B16R0.331 CC(C)CCCC(C)CCOCCCC(=O)N 7a_100000015991_100102525003 [0,2,0,0,0,0|2,0,0]=4 12071 B16R0.331 CC(C)CCCC(C)CCSCCCC(=O)N 62a_100009816328_100102525003 [0,2,0,0,0,0|2,0,0]=4 12072 B16R0.331 CC(C)CCCC(C)CCSCCCC(=O)N 62a_100102525003_100009816328 [0,2,0,0,0,0|2,0,0]=4 12073 B16R0.331 CC(C)CCCC(C)NCCCCCC(=O)N 2230a_100000210607_100009817443 [0,2,0,0,0,0|2,0,0]=4 12074 B16R0.331 CC(C)CCCC(C)OCCCCCC(=O)N 34a_200011218570_100009817443 [0,2,0,0,0,0|2,0,0]=4 12075 B16R0.331 CC(C)CCCC(C)OCCCCCC(=O)N 7a_200011218570_100009817443 [0,2,0,0,0,0|2,0,0]=4 12076 B16R0.331 CC(C)CCCCCCC(=O)CCCC(=O)N 1458a_100000040743_100102525003 [0,2,0,0,0,0|1,0,1]=4 12077 B16R0.331 CC(C)CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210682 [0,2,0,0,0,0|1,0,1]=4 12078 B16R0.2309 CC(=O)CCCCSCCCCCC(C)(C)O 62a_100000735457_100010402123 [0,2,0,0,0,0|2,0,0]=4 12079 B16R0.2309 CC(=O)CCCCSCCCCCC(C)(C)O 62a_100010402123_100000735457 [0,2,0,0,0,0|2,0,0]=4 12080 B16R0.2309 CC(C)(O)CCCCCNCCCCC(=O)N 34a_100000696515_100010402123 [0,2,0,0,0,0|2,0,0]=4 12081 B16R0.2309 CC(C)(O)CCCCCNCCOCC(=O)O 269956a_100000700818_100010402123 [0,2,0,0,0,0|2,0,0]=4 12082 B16R0.2309 CC(C)(O)CCCCCOCCCCC(=O)N 34a_100012022536_100010402123 [0,2,0,0,0,0|2,0,0]=4 12083 B16R0.2309 CC(C)(O)CCCCCOCCCCC(=O)N 7a_100012022536_100010402123 [0,2,0,0,0,0|2,0,0]=4 12084 B16R0.1468 CCCCCC(C)CCC(=O)CCCC(=O)C 1458a_100000034243_100011215641 [0,2,0,0,0,0|1,0,1]=4 12085 B16R0.1468 CCCCCC(C)CCC(=O)CCCC(=O)N 1458a_100000034243_100102525003 [0,2,0,0,0,0|1,0,1]=4 12086 B16R0.3380 C#CC(CCCCC)OCCCCCC(=O)N 34a_100011216489_100009817443 [0,2,0,0,0,0|2,0,0]=4 12087 B16R0.3380 C#CC(CCCCC)OCCCCCC(=O)N 7a_100011216489_100009817443 [0,2,0,0,0,0|2,0,0]=4 12088 B16R0.3380 C=CC(CCCCC)OCCCCCC(=O)N 34a_100011216863_100009817443 [0,2,0,0,0,0|2,0,0]=4 12089 B16R0.3380 C=CC(CCCCC)OCCCCCC(=O)N 7a_100011216863_100009817443 [0,2,0,0,0,0|2,0,0]=4 12090 B16R0.3380 CCCCCC(CC)OCCCCCC(=O)N 34a_100011215405_100009817443 [0,2,0,0,0,0|2,0,0]=4 12091 B16R0.3380 CCCCCC(CC)OCCCCCC(=O)N 7a_100011215405_100009817443 [0,2,0,0,0,0|2,0,0]=4 12092 B16R0.3394 CCC(C)CCC(C)OCCCCCC(=O)N 7a_200011216552_100009817443 [0,2,0,0,0,0|2,0,0]=4 12093 B16R0.3182 CCCCCCCCC(CC)OCCC(=O)C 7a_200011216270_100000053229 [0,2,0,0,0,0|2,0,0]=4 12094 B16R0.3182 CCCCCCCCC(CC)OCCC(=O)N 34a_200011216270_100000731001 [0,2,0,0,0,0|2,0,0]=4 12095 B16R0.3182 CCCCCCCCC(CC)OCCC(=O)N 7a_200011216270_100000744528 [0,2,0,0,0,0|2,0,0]=4 12096 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [1,0,0,1,0,0|2,0,0]=4 12097 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [1,0,0,1,0,0|2,0,0]=4 12098 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [1,0,0,1,0,0|2,0,0]=4 12099 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [1,0,0,1,0,0|2,0,0]=4 12100 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [1,0,0,1,0,0|2,0,0]=4 12101 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [1,0,0,1,0,0|2,0,0]=4 12102 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [1,0,0,1,0,0|2,0,0]=4 12103 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [1,0,0,1,0,0|2,0,0]=4 12104 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 12105 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 12106 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [1,0,0,1,0,0|2,0,0]=4 12107 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [1,0,0,1,0,0|2,0,0]=4 12108 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [1,0,0,1,0,0|2,0,0]=4 12109 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [1,0,0,1,0,0|2,0,0]=4 12110 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [1,0,0,1,0,0|2,0,0]=4 12111 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [1,0,0,1,0,0|2,0,0]=4 12112 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [1,0,0,1,0,0|2,0,0]=4 12113 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [1,0,0,1,0,0|2,0,0]=4 12114 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 12115 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 12116 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [1,0,0,1,0,0|2,0,0]=4 12117 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 12118 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [1,0,0,1,0,0|2,0,0]=4 12119 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 12120 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [1,0,0,1,0,0|2,0,0]=4 12121 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [1,0,0,1,0,0|2,0,0]=4 12122 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [1,0,0,1,0,0|2,0,0]=4 12123 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [1,0,0,1,0,0|2,0,0]=4 12124 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [1,0,0,1,0,0|2,0,0]=4 12125 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [1,0,0,1,0,0|2,0,0]=4 12126 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [1,0,0,1,0,0|2,0,0]=4 12127 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [1,0,0,1,0,0|2,0,0]=4 12128 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [1,0,0,1,0,0|2,0,0]=4 12129 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [1,0,0,1,0,0|2,0,0]=4 12130 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [1,0,0,1,0,0|2,0,0]=4 12131 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [1,0,0,1,0,0|2,0,0]=4 12132 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [1,0,0,1,0,0|2,0,0]=4 12133 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [1,0,0,1,0,0|2,0,0]=4 12134 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [1,0,0,1,0,0|2,0,0]=4 12135 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 12136 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 12137 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [1,0,0,1,0,0|2,0,0]=4 12138 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [1,0,0,1,0,0|2,0,0]=4 12139 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [1,0,0,1,0,0|2,0,0]=4 12140 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [1,0,0,1,0,0|2,0,0]=4 12141 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 12142 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 12143 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 12144 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 12145 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 12146 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [1,0,0,1,0,0|2,0,0]=4 12147 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [1,0,0,1,0,0|1,0,0]=3 12148 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [1,0,0,1,0,0|2,0,0]=4 12149 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [1,0,0,1,0,0|2,0,0]=4 12150 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [1,0,0,1,0,0|2,0,0]=4 12151 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [1,0,0,1,0,0|2,0,0]=4 12152 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [1,0,0,1,0,0|2,0,0]=4 12153 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [1,0,0,1,0,0|2,0,0]=4 12154 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [1,0,0,1,0,0|2,0,0]=4 12155 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [1,0,0,1,0,0|2,0,0]=4 12156 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 12157 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 12158 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [1,0,0,1,0,0|2,0,0]=4 12159 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [1,0,0,1,0,0|2,0,0]=4 12160 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [1,0,0,1,0,0|2,0,0]=4 12161 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [1,0,0,1,0,0|2,0,0]=4 12162 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [1,0,0,1,0,0|2,0,0]=4 12163 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [1,0,0,1,0,0|2,0,0]=4 12164 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [1,0,0,1,0,0|2,0,0]=4 12165 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [1,0,0,1,0,0|2,0,0]=4 12166 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 12167 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [1,0,0,1,0,0|2,0,0]=4 12168 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 12169 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [1,0,0,1,0,0|2,0,0]=4 12170 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [1,0,0,1,0,0|2,0,0]=4 12171 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [1,0,0,1,0,0|2,0,0]=4 12172 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [1,0,0,1,0,0|2,0,0]=4 12173 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [1,0,0,1,0,0|2,0,0]=4 12174 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [1,0,0,1,0,0|2,0,0]=4 12175 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [1,0,0,1,0,0|2,0,0]=4 12176 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [1,0,0,1,0,0|2,0,0]=4 12177 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [1,0,0,1,0,0|2,0,0]=4 12178 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [1,0,0,1,0,0|2,0,0]=4 12179 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 12180 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 12181 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [1,0,0,1,0,0|2,0,0]=4 12182 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [1,0,0,1,0,0|2,0,0]=4 12183 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [1,0,0,1,0,0|2,0,0]=4 12184 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 12185 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 12186 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [1,0,0,1,0,0|2,0,0]=4 12187 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [1,0,0,1,0,0|2,0,0]=4 12188 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [1,0,0,1,0,0|2,0,0]=4 12189 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [1,0,0,1,0,0|2,0,0]=4 12190 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [1,0,0,1,0,0|2,0,0]=4 12191 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [1,0,0,1,0,0|2,0,0]=4 12192 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [1,0,0,1,0,0|2,0,0]=4 12193 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [1,0,0,1,0,0|2,0,0]=4 12194 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [1,0,0,1,0,0|2,0,0]=4 12195 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [1,0,0,1,0,0|2,0,0]=4 12196 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [1,0,0,1,0,0|2,0,0]=4 12197 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [1,0,0,1,0,0|2,0,0]=4 12198 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [1,0,0,1,0,0|2,0,0]=4 12199 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 12200 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 12201 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [1,0,0,1,0,0|2,0,0]=4 12202 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [1,0,0,1,0,0|2,0,0]=4 12203 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [1,0,0,1,0,0|1,0,0]=3 12204 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [1,0,0,1,0,0|2,0,0]=4 12205 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [1,0,0,1,0,0|2,0,0]=4 12206 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [1,0,0,1,0,0|2,0,0]=4 12207 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [1,0,0,1,0,0|2,0,0]=4 12208 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [1,0,0,1,0,0|1,0,1]=4 12209 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [1,0,0,1,0,0|1,0,1]=4 12210 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [1,0,0,1,0,0|1,0,1]=4 12211 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [1,0,0,1,0,0|1,0,1]=4 12212 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [1,0,0,1,0,0|2,0,0]=4 12213 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [1,0,0,1,0,0|2,0,0]=4 12214 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [1,0,0,1,0,0|2,0,0]=4 12215 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [1,0,0,1,0,0|2,0,0]=4 12216 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [1,0,0,1,0,0|2,0,0]=4 12217 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [1,0,0,1,0,0|2,0,0]=4 12218 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [1,0,0,1,0,0|2,0,0]=4 12219 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [1,0,0,1,0,0|2,0,0]=4 12220 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 12221 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [1,0,0,1,0,0|2,0,0]=4 12222 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 12223 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [1,0,0,1,0,0|2,0,0]=4 12224 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [1,0,0,1,0,0|2,0,0]=4 12225 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 12226 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 12227 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [1,0,0,1,0,0|2,0,0]=4 12228 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [1,0,0,1,0,0|2,0,0]=4 12229 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [1,0,0,1,0,0|2,0,0]=4 12230 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 12231 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 12232 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 12233 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 12234 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 12235 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 12236 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [1,0,0,1,0,0|2,0,0]=4 12237 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [1,0,0,1,0,0|2,0,0]=4 12238 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [1,0,0,1,0,0|2,0,0]=4 12239 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [1,0,0,1,0,0|2,0,0]=4 12240 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 12241 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 12242 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [1,0,0,1,0,0|2,0,0]=4 12243 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [1,0,0,1,0,0|2,0,0]=4 12244 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 12245 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 12246 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [1,0,0,1,0,0|2,0,0]=4 12247 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [1,0,0,1,0,0|2,0,0]=4 12248 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [1,0,0,1,0,0|2,0,0]=4 12249 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [1,0,0,1,0,0|2,0,0]=4 12250 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 12251 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [1,0,0,1,0,0|2,0,0]=4 12252 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 12253 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [1,0,0,1,0,0|2,0,0]=4 12254 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [1,0,0,1,0,0|2,0,0]=4 12255 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [1,0,0,1,0,0|2,0,0]=4 12256 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [1,0,0,1,0,0|2,0,0]=4 12257 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [1,0,0,1,0,0|2,0,0]=4 12258 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [1,0,0,1,0,0|1,0,1]=4 12259 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 12260 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 12261 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [1,0,0,1,0,0|1,0,1]=4 12262 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [1,0,0,1,0,0|2,0,0]=4 12263 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 12264 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 12265 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [1,0,0,1,0,0|2,0,0]=4 12266 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [1,0,0,1,0,0|1,0,0]=3 12267 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [1,0,0,1,0,0|2,0,0]=4 12268 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [1,0,0,1,0,0|2,0,0]=4 12269 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [1,0,0,1,0,0|2,0,0]=4 12270 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [1,0,0,1,0,0|2,0,0]=4 12271 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [1,0,0,1,0,0|2,0,0]=4 12272 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [1,0,0,1,0,0|1,0,0]=3 12273 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [1,0,0,1,0,0|2,0,0]=4 12274 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [1,0,0,1,0,0|2,0,0]=4 12275 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [1,0,0,1,0,0|2,0,0]=4 12276 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [1,0,0,1,0,0|2,0,0]=4 12277 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [1,0,0,1,0,0|2,0,0]=4 12278 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [1,0,0,1,0,0|2,0,0]=4 12279 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [1,0,0,1,0,0|2,0,0]=4 12280 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [1,0,0,1,0,0|2,0,0]=4 12281 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [1,0,0,1,0,0|2,0,0]=4 12282 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [1,0,0,1,0,0|2,0,0]=4 12283 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [1,0,0,1,0,0|2,0,0]=4 12284 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 12285 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 12286 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [1,0,0,1,0,0|2,0,0]=4 12287 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [1,0,0,1,0,0|2,0,0]=4 12288 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [1,0,0,1,0,0|2,0,0]=4 12289 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [1,0,0,1,0,0|2,0,0]=4 12290 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [1,0,0,1,0,0|1,0,0]=3 12291 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [1,0,0,1,0,0|2,0,0]=4 12292 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [1,0,0,1,0,0|2,0,0]=4 12293 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [1,0,0,1,0,0|2,0,0]=4 12294 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [1,0,0,1,0,0|1,0,0]=3 12295 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [1,0,0,1,0,0|2,0,0]=4 12296 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [1,0,0,1,0,0|2,0,0]=4 12297 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [1,0,0,1,0,0|2,0,0]=4 12298 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [1,0,0,1,0,0|2,0,0]=4 12299 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [1,0,0,1,0,0|2,0,0]=4 12300 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [1,0,0,1,0,0|2,0,0]=4 12301 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [1,0,0,1,0,0|2,0,0]=4 12302 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [1,0,0,1,0,0|2,0,0]=4 12303 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [1,0,0,1,0,0|2,0,0]=4 12304 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [1,0,0,1,0,0|2,0,0]=4 12305 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [1,0,0,1,0,0|2,0,0]=4 12306 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [1,0,0,1,0,0|2,0,0]=4 12307 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [1,0,0,1,0,0|2,0,0]=4 12308 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 12309 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 12310 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 12311 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [1,0,0,1,0,0|2,0,0]=4 12312 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 12313 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 12314 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [1,0,0,1,0,0|2,0,0]=4 12315 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [1,0,0,1,0,0|2,0,0]=4 12316 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [1,0,0,1,0,0|2,0,0]=4 12317 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [1,0,0,1,0,0|2,0,0]=4 12318 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 12319 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 12320 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [1,0,0,1,0,0|1,0,1]=4 12321 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [1,0,0,1,0,0|1,0,0]=3 12322 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [1,0,0,1,0,0|2,0,0]=4 12323 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [1,0,0,1,0,0|2,0,0]=4 12324 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [1,0,0,1,0,0|2,0,0]=4 12325 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 12326 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 12327 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 12328 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [1,0,0,1,0,0|2,0,0]=4 12329 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 12330 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [1,0,0,1,0,0|2,0,0]=4 12331 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [1,0,0,1,0,0|2,0,0]=4 12332 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [1,0,0,1,0,0|1,0,1]=4 12333 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [1,0,0,1,0,0|1,0,0]=3 12334 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [1,0,0,1,0,0|2,0,0]=4 12335 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [1,0,0,1,0,0|2,0,0]=4 12336 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 12337 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 12338 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [1,0,0,1,0,0|2,0,0]=4 12339 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [1,0,0,1,0,0|2,0,0]=4 12340 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [1,0,0,1,0,0|2,0,0]=4 12341 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [1,0,0,1,0,0|2,0,0]=4 12342 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [1,0,0,1,0,0|2,0,0]=4 12343 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [1,0,0,1,0,0|2,0,0]=4 12344 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [1,0,0,1,0,0|2,0,0]=4 12345 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [1,0,0,1,0,0|2,0,0]=4 12346 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [1,0,0,1,0,0|2,0,0]=4 12347 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 12348 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [1,0,0,1,0,0|2,0,0]=4 12349 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 12350 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [1,0,0,1,0,0|2,0,0]=4 12351 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [1,0,0,1,0,0|2,0,0]=4 12352 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [1,0,0,1,0,0|2,0,0]=4 12353 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [1,0,0,1,0,0|2,0,0]=4 12354 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 12355 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 12356 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [1,0,0,1,0,0|2,0,0]=4 12357 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [1,0,0,1,0,0|2,0,0]=4 12358 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [1,0,0,1,0,0|2,0,0]=4 12359 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [1,0,0,1,0,0|2,0,0]=4 12360 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [1,0,0,1,0,0|2,0,0]=4 12361 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [1,0,0,1,0,0|2,0,0]=4 12362 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 12363 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [1,0,0,1,0,0|2,0,0]=4 12364 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 12365 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [1,0,0,1,0,0|2,0,0]=4 12366 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [1,0,0,1,0,0|2,0,0]=4 12367 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [1,0,0,1,0,0|2,0,0]=4 12368 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [1,0,0,1,0,0|2,0,0]=4 12369 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [1,0,0,1,0,0|2,0,0]=4 12370 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [1,0,0,1,0,0|2,0,0]=4 12371 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [1,0,0,1,0,0|1,0,1]=4 12372 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [1,0,0,1,0,0|2,0,0]=4 12373 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [1,0,0,1,0,0|2,0,0]=4 12374 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 12375 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [1,0,0,1,0,0|2,0,0]=4 12376 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 12377 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [1,0,0,1,0,0|2,0,0]=4 12378 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [1,0,0,1,0,0|2,0,0]=4 12379 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [1,0,0,1,0,0|1,0,1]=4 12380 B14R1.40 C=CCCCCCCCN1CCCC1 2230a_100000188435_100012355270 [1,0,0,1,0,0|2,0,0]=4 12381 B14R1.40 C=CCCCCCCCN1CCCC1 269982a_100000188435_100012355270 [1,0,0,1,0,0|2,0,0]=4 12382 B14R1.40 C=CCCCCCCNC1CCCC1 2230a_100000211070_100011215473 [1,0,0,1,0,0|2,0,0]=4 12383 B14R1.40 C=CCCCCCCNC1CCCC1 34a_100000211070_100011215473 [1,0,0,1,0,0|2,0,0]=4 12384 B14R1.40 C=CCCCCCCOC1CCCC1 34a_100000210269_100011215473 [1,0,0,1,0,0|2,0,0]=4 12385 B14R1.40 C=CCCCCCCOC1CCCC1 34a_200011216477_100000179811 [1,0,0,1,0,0|2,0,0]=4 12386 B14R1.40 C=CCCCCCCOC1CCCC1 7a_100000210269_100011215473 [1,0,0,1,0,0|2,0,0]=4 12387 B14R1.40 C=CCCCCCCOC1CCCC1 7a_200011216477_100000179811 [1,0,0,1,0,0|2,0,0]=4 12388 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011215473_100000179811 [1,0,0,1,0,0|2,0,0]=4 12389 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011217020_100011215473 [1,0,0,1,0,0|2,0,0]=4 12390 B14R1.40 C=CCCCCCNCC1CCCC1 2230a_100000737975_100000700193 [1,0,0,1,0,0|2,0,0]=4 12391 B14R1.40 C=CCCCCCNCC1CCCC1 34a_100000737975_100000700193 [1,0,0,1,0,0|2,0,0]=4 12392 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100000742336_100000700193 [1,0,0,1,0,0|2,0,0]=4 12393 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100011216702_100000740388 [1,0,0,1,0,0|2,0,0]=4 12394 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100000742336_100000700193 [1,0,0,1,0,0|2,0,0]=4 12395 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100011216702_100000740388 [1,0,0,1,0,0|2,0,0]=4 12396 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000700193_100000740388 [1,0,0,1,0,0|2,0,0]=4 12397 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000740388_100000700193 [1,0,0,1,0,0|2,0,0]=4 12398 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000703577_100000760354 [1,0,0,1,0,0|2,0,0]=4 12399 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000739158_100011215482 [1,0,0,1,0,0|2,0,0]=4 12400 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000703577_100000760354 [1,0,0,1,0,0|2,0,0]=4 12401 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000739158_100011215482 [1,0,0,1,0,0|2,0,0]=4 12402 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000749090_100011215482 [1,0,0,1,0,0|2,0,0]=4 12403 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000766645_100000760354 [1,0,0,1,0,0|2,0,0]=4 12404 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000749090_100011215482 [1,0,0,1,0,0|2,0,0]=4 12405 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000766645_100000760354 [1,0,0,1,0,0|2,0,0]=4 12406 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100000760354_100011215482 [1,0,0,1,0,0|2,0,0]=4 12407 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100011215482_100000760354 [1,0,0,1,0,0|2,0,0]=4 12408 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000700776_100011713738 [1,0,0,1,0,0|2,0,0]=4 12409 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000736752_100011713584 [1,0,0,1,0,0|2,0,0]=4 12410 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000700776_100011713738 [1,0,0,1,0,0|2,0,0]=4 12411 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000736752_100000757094 [1,0,0,1,0,0|2,0,0]=4 12412 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100000758997_100011713738 [1,0,0,1,0,0|2,0,0]=4 12413 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100011215328_100000757094 [1,0,0,1,0,0|2,0,0]=4 12414 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100000758997_100011713738 [1,0,0,1,0,0|2,0,0]=4 12415 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100011215328_100000757094 [1,0,0,1,0,0|2,0,0]=4 12416 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713584_100011713738 [1,0,0,1,0,0|2,0,0]=4 12417 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713738_100000757094 [1,0,0,1,0,0|2,0,0]=4 12418 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [1,0,0,1,0,0|1,0,1]=4 12419 B14R1.40 CCCCCCCNCC1CCCO1 2230a_100000229938_100000203698 [1,0,0,1,0,0|1,0,1]=4 12420 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210681 [1,0,0,1,0,0|1,0,1]=4 12421 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210614 [1,0,0,1,0,0|1,0,1]=4 12422 B14R1.40 CCCCCCCOCC1CCCO1 34a_100000210270_100000210614 [1,0,0,1,0,0|1,0,1]=4 12423 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210270_100000210614 [1,0,0,1,0,0|1,0,1]=4 12424 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210272_100000203698 [1,0,0,1,0,0|1,0,1]=4 12425 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000203698_100000210316 [1,0,0,1,0,0|1,0,1]=4 12426 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000210614_100000203698 [1,0,0,1,0,0|1,0,1]=4 12427 B14R1.40 O=CCCCCCNCC1CCCC1 2230a_100000737975_100000139337 [1,0,0,1,0,0|1,0,0]=3 12428 B14R1.40 O=CCCCCCNCC1CCOC1 2230a_100000737293_100000139337 [1,0,0,1,0,0|2,0,0]=4 12429 B14R1.40 O=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139337 [1,0,0,1,0,0|2,0,0]=4 12430 B14R1.40 O=CCCCCCOCC1CCCC1 7a_100000742336_100000139337 [1,0,0,1,0,0|1,0,0]=3 12431 B14R1.40 O=CCCCCCOCC1CCCO1 7a_100000210270_100000139337 [1,0,0,1,0,0|2,0,0]=4 12432 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000139337_100000740388 [1,0,0,1,0,0|1,0,0]=3 12433 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000740388_100000139337 [1,0,0,1,0,0|1,0,0]=3 12434 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000139337_100000203698 [1,0,0,1,0,0|2,0,0]=4 12435 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000203698_100000139337 [1,0,0,1,0,0|2,0,0]=4 12436 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000139337_100000702531 [1,0,0,1,0,0|2,0,0]=4 12437 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000702531_100000139337 [1,0,0,1,0,0|2,0,0]=4 12438 B14R1.40 O=CCCCCNCCC1CCCC1 2230a_100000739158_100000139335 [1,0,0,1,0,0|1,0,0]=3 12439 B14R1.40 O=CCCCCOCCC1CCCC1 7a_100000749090_100000139335 [1,0,0,1,0,0|1,0,0]=3 12440 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000139335_100000760354 [1,0,0,1,0,0|1,0,0]=3 12441 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000760354_100000139335 [1,0,0,1,0,0|1,0,0]=3 12442 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000139335_100000004467 [1,0,0,1,0,0|2,0,0]=4 12443 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000700749_100000139335 [1,0,0,1,0,0|2,0,0]=4 12444 B14R1.40 O=CCCCNCCCC1CCCC1 2230a_100000736752_200011292268 [1,0,0,1,0,0|1,0,0]=3 12445 B14R1.40 O=CCCCOCCCC1CCCC1 7a_100011215328_200011292268 [1,0,0,1,0,0|1,0,0]=3 12446 B14R1.40 O=CCCCOCCOC1CCCC1 7a_100000738311_200011292268 [1,0,0,1,0,0|2,0,0]=4 12447 B14R1.40 O=CCCCSCCCC1CCCC1 62a_100011713738_200011292268 [1,0,0,1,0,0|1,0,0]=3 12448 B14R1.40 O=CCCCSCCCC1CCCC1 62a_200011292268_100011713738 [1,0,0,1,0,0|1,0,0]=3 12449 B14R1.40 O=CCCCSCCCN1CCCC1 62a_100016991639_200011292268 [1,0,0,1,0,0|2,0,0]=4 12450 B14R1.40 O=CCCCSCCCN1CCCC1 62a_200011292268_100011445909 [1,0,0,1,0,0|2,0,0]=4 12451 B14R1.40 OCCCCCCCCN1CCCC1 2230a_100000188435_100000033203 [1,0,0,1,0,0|1,0,1]=4 12452 B14R1.40 OCCCCCCCCN1CCCC1 269982a_100000188435_100000033203 [1,0,0,1,0,0|1,0,1]=4 12453 B14R1.40 OCCCCCCCNC1CCCC1 2230a_100000211070_100000760002 [1,0,0,1,0,0|1,0,1]=4 12454 B14R1.40 OCCCCCCCNC1CCCC1 2230a_100011996573_100000179811 [1,0,0,1,0,0|1,0,1]=4 12455 B14R1.40 OCCCCCCCNC1CCCC1 270004a_100011996573_100000210133 [1,0,0,1,0,0|1,0,1]=4 12456 B14R1.40 OCCCCCCCNC1CCCC1 34a_100000211070_100000760002 [1,0,0,1,0,0|1,0,1]=4 12457 B14R1.40 OCCCCCCCNC1CCCC1 34a_100011996573_100000179811 [1,0,0,1,0,0|1,0,1]=4 12458 B14R1.40 OCCCCCCCOC1CCCC1 34a_100000210269_100000760002 [1,0,0,1,0,0|1,0,1]=4 12459 B14R1.40 OCCCCCCCOC1CCCC1 7a_100000210269_100000760002 [1,0,0,1,0,0|1,0,1]=4 12460 B14R1.40 OCCCCCCCSC1CCCC1 62a_100000760002_100000179811 [1,0,0,1,0,0|1,0,1]=4 12461 B14R1.40 OCCCCCCCSC1CCCC1 62a_100011217020_100000760002 [1,0,0,1,0,0|1,0,1]=4 12462 B14R1.40 OCCCCCCNCC1CCCC1 2230a_100000686447_100000740388 [1,0,0,1,0,0|1,0,1]=4 12463 B14R1.40 OCCCCCCNCC1CCCC1 2230a_100000737975_100000766143 [1,0,0,1,0,0|1,0,1]=4 12464 B14R1.40 OCCCCCCNCC1CCCC1 269862a_100000686447_100000746403 [1,0,0,1,0,0|1,0,1]=4 12465 B14R1.40 OCCCCCCNCC1CCCC1 34a_100000686447_100000740388 [1,0,0,1,0,0|1,0,1]=4 12466 B14R1.40 OCCCCCCNCC1CCCC1 34a_100000737975_100000766143 [1,0,0,1,0,0|1,0,1]=4 12467 B14R1.40 OCCCCCCOCC1CCCC1 34a_100000742336_100000766143 [1,0,0,1,0,0|1,0,1]=4 12468 B14R1.40 OCCCCCCOCC1CCCC1 7a_100000742336_100000766143 [1,0,0,1,0,0|1,0,1]=4 12469 B14R1.40 OCCCCCCSCC1CCCC1 62a_100000740388_100000766143 [1,0,0,1,0,0|1,0,1]=4 12470 B14R1.40 OCCCCCCSCC1CCCC1 62a_100000766143_100000740388 [1,0,0,1,0,0|1,0,1]=4 12471 B14R1.40 OCCCCCNCCC1CCCC1 2230a_100000739158_100000746330 [1,0,0,1,0,0|1,0,1]=4 12472 B14R1.40 OCCCCCNCCC1CCCC1 2230a_100000762737_100000760354 [1,0,0,1,0,0|1,0,1]=4 12473 B14R1.40 OCCCCCNCCC1CCCC1 34a_100000739158_100000746330 [1,0,0,1,0,0|1,0,1]=4 12474 B14R1.40 OCCCCCNCCC1CCCC1 34a_100000762737_100000760354 [1,0,0,1,0,0|1,0,1]=4 12475 B14R1.40 OCCCCCOCCC1CCCC1 34a_100000749090_100000746330 [1,0,0,1,0,0|1,0,1]=4 12476 B14R1.40 OCCCCCOCCC1CCCC1 7a_100000749090_100000746330 [1,0,0,1,0,0|1,0,1]=4 12477 B14R1.40 OCCCCCSCCC1CCCC1 62a_100000746330_100000760354 [1,0,0,1,0,0|1,0,1]=4 12478 B14R1.40 OCCCCCSCCC1CCCC1 62a_100000760354_100000746330 [1,0,0,1,0,0|1,0,1]=4 12479 B14R1.40 OCCCCNCCCC1CCCC1 2230a_100000736752_100000210776 [1,0,0,1,0,0|1,0,1]=4 12480 B14R1.40 OCCCCNCCCC1CCCC1 2230a_100000750430_100011713738 [1,0,0,1,0,0|1,0,1]=4 12481 B14R1.40 OCCCCNCCCC1CCCC1 34a_100000736752_100011216708 [1,0,0,1,0,0|1,0,1]=4 12482 B14R1.40 OCCCCNCCCC1CCCC1 34a_100000750430_100011713738 [1,0,0,1,0,0|1,0,1]=4 12483 B14R1.40 OCCCCOCCCC1CCCC1 34a_100011215328_100011216708 [1,0,0,1,0,0|1,0,1]=4 12484 B14R1.40 OCCCCOCCCC1CCCC1 7a_100011215328_100000210776 [1,0,0,1,0,0|1,0,1]=4 12485 B14R1.40 OCCCCSCCCC1CCCC1 62a_100000210776_100011713738 [1,0,0,1,0,0|1,0,1]=4 12486 B14R1.40 OCCCCSCCCC1CCCC1 62a_100011713738_100000210776 [1,0,0,1,0,0|1,0,1]=4 12487 B14R1.62 C=CCCCCCN1CCCC1CC 2230a_100000754278_100000700193 [1,0,0,1,0,0|2,0,0]=4 12488 B14R1.62 C=CCCCCCN1CCCC1CC 269982a_100000754278_100000700193 [1,0,0,1,0,0|2,0,0]=4 12489 B14R1.62 C=CCCCCCN1CCCC1CC 34a_100000754278_100000700193 [1,0,0,1,0,0|2,0,0]=4 12490 B14R1.62 C=CCCCCNC1CCCC1CC 269862a_100000703577_100000749056 [1,0,0,1,0,0|2,0,0]=4 12491 B14R1.62 C=CCCCCNC1CCCC1CC 270004a_100000703577_100000749056 [1,0,0,1,0,0|2,0,0]=4 12492 B14R1.62 CCC1CCCC1NCCCCCO 269862a_100000762737_100000749056 [1,0,0,1,0,0|1,0,1]=4 12493 B14R1.62 CCC1CCCC1NCCCCCO 270004a_100000762737_100000749056 [1,0,0,1,0,0|1,0,1]=4 12494 B14R1.62 CCC1CCCN1CCCCCC=O 2230a_100000754278_100000139337 [1,0,0,1,0,0|1,0,0]=3 12495 B14R1.62 CCC1CCCN1CCCCCC=O 269982a_100000754278_100000139337 [1,0,0,1,0,0|1,0,0]=3 12496 B14R1.62 CCC1CCCN1CCCCCCO 2230a_100000754278_100000766143 [1,0,0,1,0,0|1,0,1]=4 12497 B14R1.62 CCC1CCCN1CCCCCCO 269982a_100000754278_100000766143 [1,0,0,1,0,0|1,0,1]=4 12498 B14R1.62 CCC1CCCN1CCCCCCO 34a_100000754278_100000766143 [1,0,0,1,0,0|1,0,1]=4 12499 B14R1.62 CCCCCCCC1CCCC1NC 269862a_106832991636_200011216720 [1,0,0,1,0,0|2,0,0]=4 12500 B14R1.62 CCCCCCCC1CCCC1NC 270004a_106832991635_200011216720 [1,0,0,1,0,0|2,0,0]=4 12501 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210681 [1,0,0,1,0,0|1,0,1]=4 12502 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210681 [1,0,0,1,0,0|1,0,1]=4 12503 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210614 [1,0,0,1,0,0|1,0,1]=4 12504 B14R1.62 CCN1CCCC1CNCCCC=O 2230a_100000211693_200011292268 [1,0,0,1,0,0|2,0,0]=4 12505 B14R1.62 CCN1CCC[C@@H]1COCCCC=O 7a_100011739246_200011292268 [1,0,0,1,0,0|2,0,0]=4 12506 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139337 [1,0,0,1,0,0|2,0,0]=4 12507 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139337 [1,0,0,1,0,0|2,0,0]=4 12508 B14R1.123 C=CCCCCCNC1CCCCC1 2230a_100000182618_100000700193 [1,0,0,1,0,0|2,0,0]=4 12509 B14R1.123 C=CCCCCCNC1CCCCC1 34a_100000182618_100000700193 [1,0,0,1,0,0|2,0,0]=4 12510 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100000210231_100000700193 [1,0,0,1,0,0|2,0,0]=4 12511 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100011216702_100000210327 [1,0,0,1,0,0|2,0,0]=4 12512 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100000210231_100000700193 [1,0,0,1,0,0|2,0,0]=4 12513 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100011216702_100000210327 [1,0,0,1,0,0|2,0,0]=4 12514 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000210327_100000700193 [1,0,0,1,0,0|2,0,0]=4 12515 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000700193_100000210327 [1,0,0,1,0,0|2,0,0]=4 12516 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000210473_100011215482 [1,0,0,1,0,0|2,0,0]=4 12517 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000703577_100000211423 [1,0,0,1,0,0|2,0,0]=4 12518 B14R1.123 C=CCCCCNCC1CCCCC1 269862a_100000703577_100000211278 [1,0,0,1,0,0|2,0,0]=4 12519 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000210473_100011215482 [1,0,0,1,0,0|2,0,0]=4 12520 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000703577_100000211423 [1,0,0,1,0,0|2,0,0]=4 12521 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000212181_100011215482 [1,0,0,1,0,0|2,0,0]=4 12522 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000766645_100000211423 [1,0,0,1,0,0|2,0,0]=4 12523 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000212181_100011215482 [1,0,0,1,0,0|2,0,0]=4 12524 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000766645_100000211423 [1,0,0,1,0,0|2,0,0]=4 12525 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100000211423_100011215482 [1,0,0,1,0,0|2,0,0]=4 12526 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100011215482_100000211423 [1,0,0,1,0,0|2,0,0]=4 12527 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000700776_100012355289 [1,0,0,1,0,0|2,0,0]=4 12528 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000738074_100011713584 [1,0,0,1,0,0|2,0,0]=4 12529 B14R1.123 C=CCCCNCCC1CCCCC1 270004a_100000700776_100011713444 [1,0,0,1,0,0|2,0,0]=4 12530 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000700776_100011209188 [1,0,0,1,0,0|2,0,0]=4 12531 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000738074_100000757094 [1,0,0,1,0,0|2,0,0]=4 12532 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100000758997_100011209188 [1,0,0,1,0,0|2,0,0]=4 12533 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100011217863_100000757094 [1,0,0,1,0,0|2,0,0]=4 12534 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100000758997_100011273959 [1,0,0,1,0,0|2,0,0]=4 12535 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100011217863_100000757094 [1,0,0,1,0,0|2,0,0]=4 12536 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100011713584_100012355289 [1,0,0,1,0,0|2,0,0]=4 12537 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100012355289_100000757094 [1,0,0,1,0,0|2,0,0]=4 12538 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100011211642_100000754431 [1,0,0,1,0,0|2,0,0]=4 12539 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100015191253_100011713725 [1,0,0,1,0,0|2,0,0]=4 12540 B14R1.123 C=CCCNCCCC1CCCCC1 34a_100011211642_100000754431 [1,0,0,1,0,0|2,0,0]=4 12541 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100000198086_100000754431 [1,0,0,1,0,0|2,0,0]=4 12542 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100011205117_100011713725 [1,0,0,1,0,0|2,0,0]=4 12543 B14R1.123 C=CCCOCCCC1CCCCC1 7a_100000198086_100000754431 [1,0,0,1,0,0|2,0,0]=4 12544 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100000754431_100011713725 [1,0,0,1,0,0|2,0,0]=4 12545 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100011713725_100000754431 [1,0,0,1,0,0|2,0,0]=4 12546 B14R1.123 C=CCOCCCCC1CCCCC1 34a_100011215267_100015514636 [1,0,0,1,0,0|2,0,0]=4 12547 B14R1.123 C=CCOCCCCC1CCCCC1 7a_100011215267_100015514636 [1,0,0,1,0,0|2,0,0]=4 12548 B14R1.123 CCCCCCCNC1C=CCCC1 2230a_100000229938_100000751183 [1,0,0,1,0,0|2,0,0]=4 12549 B14R1.123 CCCCCCCOC1C=CCCC1 34a_100011215024_100000210614 [1,0,0,1,0,0|2,0,0]=4 12550 B14R1.123 CCCCCCCOC1C=CCCC1 7a_100000210272_100000751183 [1,0,0,1,0,0|2,0,0]=4 12551 B14R1.123 CCCCCCCOC1CCCCO1 34a_100000033831_100000210614 [1,0,0,1,0,0|1,0,1]=4 12552 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000210614_100000751183 [1,0,0,1,0,0|2,0,0]=4 12553 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000751183_100000210316 [1,0,0,1,0,0|2,0,0]=4 12554 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000174945_100000210314 [1,0,0,1,0,0|1,0,1]=4 12555 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000210581_100000211543 [1,0,0,1,0,0|1,0,1]=4 12556 B14R1.123 CCCCCCNCC1CCCCO1 34a_100000174945_100000210314 [1,0,0,1,0,0|1,0,1]=4 12557 B14R1.123 CCCCCCOCC1CCC=CO1 34a_100011217868_100000210314 [1,0,0,1,0,0|1,0,1]=4 12558 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000210259_100000211543 [1,0,0,1,0,0|1,0,1]=4 12559 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000211370_100000210314 [1,0,0,1,0,0|1,0,1]=4 12560 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000210259_100000211543 [1,0,0,1,0,0|1,0,1]=4 12561 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000211370_100000210314 [1,0,0,1,0,0|1,0,1]=4 12562 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000210314_100000211543 [1,0,0,1,0,0|1,0,1]=4 12563 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000211543_100000210757 [1,0,0,1,0,0|1,0,1]=4 12564 B14R1.123 CCCCCNCCC1CCCCO1 2230a_100015183643_100000210326 [1,0,0,1,0,0|1,0,1]=4 12565 B14R1.123 CCCCCNCCC1CCCCO1 34a_100015183643_100000718602 [1,0,0,1,0,0|1,0,1]=4 12566 B14R1.123 O=CCCCCCNC1CCCCC1 2230a_100000182618_100000139337 [1,0,0,1,0,0|1,0,0]=3 12567 B14R1.123 O=CCCCCCNC1CCCOC1 2230a_100000719290_100000139337 [1,0,0,1,0,0|2,0,0]=4 12568 B14R1.123 O=CCCCCCNC1CCOCC1 2230a_100000741149_100000139337 [1,0,0,1,0,0|2,0,0]=4 12569 B14R1.123 O=CCCCCCNC1CCSCC1 2230a_100000748639_100000139337 [1,0,0,1,0,0|2,0,0]=4 12570 B14R1.123 O=CCCCCCOC1CCCCC1 7a_100000210231_100000139337 [1,0,0,1,0,0|1,0,0]=3 12571 B14R1.123 O=CCCCCCOC1CCCSC1 7a_100015962668_100000139337 [1,0,0,1,0,0|2,0,0]=4 12572 B14R1.123 O=CCCCCCOC1CCSCC1 7a_100000731022_100000139337 [1,0,0,1,0,0|2,0,0]=4 12573 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000139337_100000210327 [1,0,0,1,0,0|1,0,0]=3 12574 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000210327_100000139337 [1,0,0,1,0,0|1,0,0]=3 12575 B14R1.123 O=CCCCCCSC1CCCOC1 62a_100000139337_100000693364 [1,0,0,1,0,0|2,0,0]=4 12576 B14R1.123 O=CCCCCCSC1CCOCC1 62a_100000139337_100011324220 [1,0,0,1,0,0|2,0,0]=4 12577 B14R1.123 O=CCCCCCSC1CCSCC1 62a_100000139337_100000069128 [1,0,0,1,0,0|2,0,0]=4 12578 B14R1.123 O=CCCCCNCC1CCCCC1 2230a_100000210473_100000139335 [1,0,0,1,0,0|1,0,0]=3 12579 B14R1.123 O=CCCCCNCC1CCCCO1 2230a_100000174945_100000139335 [1,0,0,1,0,0|2,0,0]=4 12580 B14R1.123 O=CCCCCNCC1CCCOC1 2230a_100000720124_100000139335 [1,0,0,1,0,0|2,0,0]=4 12581 B14R1.123 O=CCCCCNCC1CCOCC1 2230a_100000746373_100000139335 [1,0,0,1,0,0|2,0,0]=4 12582 B14R1.123 O=CCCCCNCC1CCSCC1 2230a_100015188806_100000139335 [1,0,0,1,0,0|2,0,0]=4 12583 B14R1.123 O=CCCCCOCC1CCCCC1 7a_100000212181_100000139335 [1,0,0,1,0,0|1,0,0]=3 12584 B14R1.123 O=CCCCCOCC1CCCCO1 7a_100000211370_100000139335 [1,0,0,1,0,0|2,0,0]=4 12585 B14R1.123 O=CCCCCOCC1CCSCC1 7a_100000070558_100000139335 [1,0,0,1,0,0|2,0,0]=4 12586 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000139335_100000211423 [1,0,0,1,0,0|1,0,0]=3 12587 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000211423_100000139335 [1,0,0,1,0,0|1,0,0]=3 12588 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000139335_100000211543 [1,0,0,1,0,0|2,0,0]=4 12589 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000211543_100000139335 [1,0,0,1,0,0|2,0,0]=4 12590 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000139335_100000741521 [1,0,0,1,0,0|2,0,0]=4 12591 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000741521_100000139335 [1,0,0,1,0,0|2,0,0]=4 12592 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000139335_100000749018 [1,0,0,1,0,0|2,0,0]=4 12593 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000754603_100000139335 [1,0,0,1,0,0|2,0,0]=4 12594 B14R1.123 O=CCCCNCCC1CCCCC1 2230a_100000738074_200011292268 [1,0,0,1,0,0|1,0,0]=3 12595 B14R1.123 O=CCCCNCCC1CCCCO1 2230a_100015183643_200011292268 [1,0,0,1,0,0|2,0,0]=4 12596 B14R1.123 O=CCCCNCCC1CCOCC1 2230a_100000755988_200011292268 [1,0,0,1,0,0|2,0,0]=4 12597 B14R1.123 O=CCCCOCCC1CCCCC1 7a_100011217863_200011292268 [1,0,0,1,0,0|1,0,0]=3 12598 B14R1.123 O=CCCCOCCC1CCOCC1 7a_100011933979_200011292268 [1,0,0,1,0,0|2,0,0]=4 12599 B14R1.123 O=CCCCSCCC1CCCCC1 62a_100012355289_200011292268 [1,0,0,1,0,0|1,0,0]=3 12600 B14R1.123 O=CCCCSCCC1CCCCC1 62a_200011292268_100012355289 [1,0,0,1,0,0|1,0,0]=3 12601 B14R1.123 O=CCCCSCCC1CCOCC1 62a_100011934994_200011292268 [1,0,0,1,0,0|2,0,0]=4 12602 B14R1.123 O=CCCCSCCC1CCOCC1 62a_200011292268_100011934994 [1,0,0,1,0,0|2,0,0]=4 12603 B14R1.123 O=CCCCSCCN1CCCCC1 62a_100000739454_200011292268 [1,0,0,1,0,0|2,0,0]=4 12604 B14R1.123 O=CCCCSCCN1CCCCC1 62a_200011292268_100000739454 [1,0,0,1,0,0|2,0,0]=4 12605 B14R1.123 O=CCCCSCOC1CCCCC1 62a_100011935260_200011292268 [1,0,0,1,0,0|2,0,0]=4 12606 B14R1.123 O=CCCCSCOC1CCCCC1 62a_200011292268_100011935260 [1,0,0,1,0,0|2,0,0]=4 12607 B14R1.123 O=CCNCCCOC1CCCCC1 34a_100000205933_200009817547 [1,0,0,1,0,0|2,0,0]=4 12608 B14R1.123 O=CCOCCCCC1CCCCC1 34a_100011215267_200009817547 [1,0,0,1,0,0|1,0,0]=3 12609 B14R1.123 O=CCOCCCCC1CCCCC1 7a_100011215267_200015260668 [1,0,0,1,0,0|1,0,0]=3 12610 B14R1.123 O=CCOCCCCC1CCNCC1 34a_100016989291_200009817547 [1,0,0,1,0,0|2,0,0]=4 12611 B14R1.123 OCCCCCCNC1CCCCC1 2230a_100000182618_100000766143 [1,0,0,1,0,0|1,0,1]=4 12612 B14R1.123 OCCCCCCNC1CCCCC1 270004a_100000686447_100000210434 [1,0,0,1,0,0|1,0,1]=4 12613 B14R1.123 OCCCCCCNC1CCCCC1 34a_100000182618_100000766143 [1,0,0,1,0,0|1,0,1]=4 12614 B14R1.123 OCCCCCCNC1CCCCC1 34a_100000686447_100000210327 [1,0,0,1,0,0|1,0,1]=4 12615 B14R1.123 OCCCCCCOC1CCCCC1 34a_100000210231_100000766143 [1,0,0,1,0,0|1,0,1]=4 12616 B14R1.123 OCCCCCCOC1CCCCC1 7a_100000210231_100000766143 [1,0,0,1,0,0|1,0,1]=4 12617 B14R1.123 OCCCCCCSC1CCCCC1 62a_100000210327_100000766143 [1,0,0,1,0,0|1,0,1]=4 12618 B14R1.123 OCCCCCCSC1CCCCC1 62a_100000766143_100000210327 [1,0,0,1,0,0|1,0,1]=4 12619 B14R1.123 OCCCCCNCC1CCCCC1 2230a_100000210473_100000746330 [1,0,0,1,0,0|1,0,1]=4 12620 B14R1.123 OCCCCCNCC1CCCCC1 2230a_100000762737_100000211423 [1,0,0,1,0,0|1,0,1]=4 12621 B14R1.123 OCCCCCNCC1CCCCC1 269862a_100000762737_100000211278 [1,0,0,1,0,0|1,0,1]=4 12622 B14R1.123 OCCCCCNCC1CCCCC1 34a_100000210473_100000746330 [1,0,0,1,0,0|1,0,1]=4 12623 B14R1.123 OCCCCCNCC1CCCCC1 34a_100000762737_100000211423 [1,0,0,1,0,0|1,0,1]=4 12624 B14R1.123 OCCCCCOCC1CCCCC1 34a_100000212181_100000746330 [1,0,0,1,0,0|1,0,1]=4 12625 B14R1.123 OCCCCCOCC1CCCCC1 7a_100000212181_100000746330 [1,0,0,1,0,0|1,0,1]=4 12626 B14R1.123 OCCCCCSCC1CCCCC1 62a_100000211423_100000746330 [1,0,0,1,0,0|1,0,1]=4 12627 B14R1.123 OCCCCCSCC1CCCCC1 62a_100000746330_100000211423 [1,0,0,1,0,0|1,0,1]=4 12628 B14R1.123 OCCCCNCCC1CCCCC1 2230a_100000738074_100000210776 [1,0,0,1,0,0|1,0,1]=4 12629 B14R1.123 OCCCCNCCC1CCCCC1 2230a_100000750430_100012355289 [1,0,0,1,0,0|1,0,1]=4 12630 B14R1.123 OCCCCNCCC1CCCCC1 270004a_100000750430_100011713444 [1,0,0,1,0,0|1,0,1]=4 12631 B14R1.123 OCCCCNCCC1CCCCC1 34a_100000738074_100011216708 [1,0,0,1,0,0|1,0,1]=4 12632 B14R1.123 OCCCCNCCC1CCCCC1 34a_100000750430_100011209188 [1,0,0,1,0,0|1,0,1]=4 12633 B14R1.123 OCCCCOCCC1CCCCC1 34a_100011217863_100011216708 [1,0,0,1,0,0|1,0,1]=4 12634 B14R1.123 OCCCCOCCC1CCCCC1 7a_100011217863_100000210776 [1,0,0,1,0,0|1,0,1]=4 12635 B14R1.123 OCCCCSCCC1CCCCC1 62a_100000210776_100012355289 [1,0,0,1,0,0|1,0,1]=4 12636 B14R1.123 OCCCCSCCC1CCCCC1 62a_100012355289_100000210776 [1,0,0,1,0,0|1,0,1]=4 12637 B14R1.123 OCCCNCCCC1CCCCC1 2230a_100011211642_100000230001 [1,0,0,1,0,0|1,0,1]=4 12638 B14R1.123 OCCCNCCCC1CCCCC1 34a_100011211642_100000230001 [1,0,0,1,0,0|1,0,1]=4 12639 B14R1.123 OCCCOCCCC1CCCCC1 34a_100000198086_100000230001 [1,0,0,1,0,0|1,0,1]=4 12640 B14R1.123 OCCCOCCCC1CCCCC1 7a_100000198086_100011215043 [1,0,0,1,0,0|1,0,1]=4 12641 B14R1.123 OCCCSCCCC1CCCCC1 62a_100011215043_100011713725 [1,0,0,1,0,0|1,0,1]=4 12642 B14R1.123 OCCCSCCCC1CCCCC1 62a_100011713725_100011215043 [1,0,0,1,0,0|1,0,1]=4 12643 B14R1.123 OCCOCCCCC1CCCCC1 34a_100011215267_100000211926 [1,0,0,1,0,0|1,0,1]=4 12644 B14R1.123 OCCOCCCCC1CCCCC1 7a_100011215267_100000211926 [1,0,0,1,0,0|1,0,1]=4 12645 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000209983_100000735217 [1,0,0,1,0,0|2,0,0]=4 12646 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000698827_100000210326 [1,0,0,1,0,0|2,0,0]=4 12647 B14R1.138 CCCCCNC1CCCCNC1=O 34a_100000698827_100000718602 [1,0,0,1,0,0|2,0,0]=4 12648 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [1,0,0,1,0,0|1,0,0]=3 12649 B14R1.138 CCCCCOC1CCCCNC1=O 7a_100000210253_100000735217 [1,0,0,1,0,0|2,0,0]=4 12650 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [1,0,0,1,0,0|1,0,0]=3 12651 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [1,0,0,1,0,0|1,0,0]=3 12652 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000210326_100000735217 [1,0,0,1,0,0|2,0,0]=4 12653 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000735217_100000210326 [1,0,0,1,0,0|2,0,0]=4 12654 B14R1.138 CCNCCCN1CCCCCC1=O 2230a_100000195386_100000210202 [1,0,0,1,0,0|2,0,0]=4 12655 B14R1.138 CCNCCCN1CCCCCC1=O 34a_100000195386_100000210202 [1,0,0,1,0,0|2,0,0]=4 12656 B14R1.138 CCOCCOC1CCCCCC1=O 7a_100000210136_100000243696 [1,0,0,1,0,0|2,0,0]=4 12657 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000210147_100000243696 [1,0,0,1,0,0|2,0,0]=4 12658 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000243696_100011215890 [1,0,0,1,0,0|2,0,0]=4 12659 B14R1.138 CCSCCOC1CCCCCC1=O 7a_100000212035_100000243696 [1,0,0,1,0,0|2,0,0]=4 12660 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000243696_100000757381 [1,0,0,1,0,0|2,0,0]=4 12661 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000757381_100000243696 [1,0,0,1,0,0|2,0,0]=4 12662 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000243696_100000709357 [1,0,0,1,0,0|2,0,0]=4 12663 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000709357_100000243696 [1,0,0,1,0,0|2,0,0]=4 12664 B14R1.138 CSCCCOC1CCCCCC1=O 7a_100000690336_100000243696 [1,0,0,1,0,0|2,0,0]=4 12665 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [1,0,0,1,0,0|2,0,0]=4 12666 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [1,0,0,1,0,0|2,0,0]=4 12667 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000243696_100000729493 [1,0,0,1,0,0|2,0,0]=4 12668 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000729493_100000243696 [1,0,0,1,0,0|2,0,0]=4 12669 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000210776_100000243696 [1,0,0,1,0,0|2,0,0]=4 12670 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000243696_100000210776 [1,0,0,1,0,0|2,0,0]=4 12671 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215473 [1,0,0,1,0,0|2,0,0]=4 12672 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215473 [1,0,0,1,0,0|2,0,0]=4 12673 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215473 [1,0,0,1,0,0|2,0,0]=4 12674 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011215473 [1,0,0,1,0,0|2,0,0]=4 12675 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 34a_100015189458_100011215473 [1,0,0,1,0,0|2,0,0]=4 12676 B14R1.216 C=CCCCCCOC1CCCC1C 34a_100011216460_100000700193 [1,0,0,1,0,0|2,0,0]=4 12677 B14R1.216 C=CCCCCCOC1CCCC1C 7a_100011216460_100000700193 [1,0,0,1,0,0|2,0,0]=4 12678 B14R1.216 CC1CCCC1NCCCCCCO 269862a_100000686447_100000752053 [1,0,0,1,0,0|1,0,1]=4 12679 B14R1.216 CC1CCCC1OCCCCCC=O 7a_100011216460_100000139337 [1,0,0,1,0,0|1,0,0]=3 12680 B14R1.216 CC1CCCC1OCCCCCCO 34a_100011216460_100000766143 [1,0,0,1,0,0|1,0,1]=4 12681 B14R1.216 CC1CCCC1OCCCCCCO 7a_100011216460_100000766143 [1,0,0,1,0,0|1,0,1]=4 12682 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [1,0,0,1,0,0|1,0,0]=3 12683 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [1,0,0,1,0,0|2,0,0]=4 12684 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [1,0,0,1,0,0|2,0,0]=4 12685 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [1,0,0,1,0,0|2,0,0]=4 12686 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [1,0,0,1,0,0|1,0,0]=3 12687 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [1,0,0,1,0,0|1,0,0]=3 12688 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [1,0,0,1,0,0|1,0,0]=3 12689 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [1,0,0,1,0,0|2,0,0]=4 12690 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [1,0,0,1,0,0|2,0,0]=4 12691 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [1,0,0,1,0,0|2,0,0]=4 12692 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [1,0,0,1,0,0|1,0,0]=3 12693 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [1,0,0,1,0,0|1,0,0]=3 12694 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [1,0,0,1,0,0|2,0,0]=4 12695 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [1,0,0,1,0,0|2,0,0]=4 12696 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210614_200016002552 [1,0,0,1,0,0|1,0,1]=4 12697 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210316 [1,0,0,1,0,0|1,0,1]=4 12698 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [1,0,0,1,0,0|2,0,0]=4 12699 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [1,0,0,1,0,0|2,0,0]=4 12700 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [1,0,0,1,0,0|2,0,0]=4 12701 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [1,0,0,1,0,0|2,0,0]=4 12702 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [1,0,0,1,0,0|2,0,0]=4 12703 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [1,0,0,1,0,0|2,0,0]=4 12704 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [1,0,0,1,0,0|2,0,0]=4 12705 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [1,0,0,1,0,0|2,0,0]=4 12706 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [1,0,0,1,0,0|2,0,0]=4 12707 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [1,0,0,1,0,0|2,0,0]=4 12708 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [1,0,0,1,0,0|2,0,0]=4 12709 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [1,0,0,1,0,0|2,0,0]=4 12710 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [1,0,0,1,0,0|2,0,0]=4 12711 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [1,0,0,1,0,0|2,0,0]=4 12712 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [1,0,0,1,0,0|2,0,0]=4 12713 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [1,0,0,1,0,0|2,0,0]=4 12714 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [1,0,0,1,0,0|2,0,0]=4 12715 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [1,0,0,1,0,0|2,0,0]=4 12716 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [1,0,0,1,0,0|2,0,0]=4 12717 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [1,0,0,1,0,0|2,0,0]=4 12718 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [1,0,0,1,0,0|2,0,0]=4 12719 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [1,0,0,1,0,0|2,0,0]=4 12720 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [1,0,0,1,0,0|2,0,0]=4 12721 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [1,0,0,1,0,0|2,0,0]=4 12722 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [1,0,0,1,0,0|2,0,0]=4 12723 B14R1.216 CN1CCCC1CCOCCCC=O 7a_100011215177_200011292268 [1,0,0,1,0,0|2,0,0]=4 12724 B14R1.216 CN1CCCC1CCSCCCC=O 62a_100000005710_200011292268 [1,0,0,1,0,0|2,0,0]=4 12725 B14R1.216 CN1CCCC1CCSCCCC=O 62a_200011292268_100000005710 [1,0,0,1,0,0|2,0,0]=4 12726 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [1,0,0,1,0,0|2,0,0]=4 12727 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [1,0,0,1,0,0|2,0,0]=4 12728 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [1,0,0,1,0,0|2,0,0]=4 12729 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 2230a_100015189458_100000760002 [1,0,0,1,0,0|1,0,1]=4 12730 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 269982a_100015189458_100000760002 [1,0,0,1,0,0|1,0,1]=4 12731 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 34a_100015189458_100000760002 [1,0,0,1,0,0|1,0,1]=4 12732 B14R1.216 C[C@H]1CCCN1CCCCCCCO 2230a_100020605311_100000760002 [1,0,0,1,0,0|1,0,1]=4 12733 B14R1.216 C[C@H]1CCCN1CCCCCCCO 269982a_100020605311_100000760002 [1,0,0,1,0,0|1,0,1]=4 12734 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [1,0,0,1,0,0|2,0,0]=4 12735 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [1,0,0,1,0,0|2,0,0]=4 12736 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [1,0,0,1,0,0|2,0,0]=4 12737 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [1,0,0,1,0,0|2,0,0]=4 12738 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [1,0,0,1,0,0|2,0,0]=4 12739 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [1,0,0,1,0,0|2,0,0]=4 12740 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [1,0,0,1,0,0|2,0,0]=4 12741 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [1,0,0,1,0,0|2,0,0]=4 12742 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [1,0,0,1,0,0|2,0,0]=4 12743 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [1,0,0,1,0,0|2,0,0]=4 12744 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [1,0,0,1,0,0|2,0,0]=4 12745 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [1,0,0,1,0,0|2,0,0]=4 12746 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [1,0,0,1,0,0|2,0,0]=4 12747 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [1,0,0,1,0,0|2,0,0]=4 12748 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [1,0,0,1,0,0|2,0,0]=4 12749 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000139337_200016002552 [1,0,0,1,0,0|2,0,0]=4 12750 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139337 [1,0,0,1,0,0|2,0,0]=4 12751 B14R1.229 C=CCCCCCCCN1CCC1C 269982a_100000755817_100012355270 [1,0,0,1,0,0|2,0,0]=4 12752 B14R1.229 C=CCCCCCCCN1CCC1C 34a_100000755817_100012355270 [1,0,0,1,0,0|2,0,0]=4 12753 B14R1.229 CC1CCN1CCCCCCCCO 269982a_100000755817_100000033203 [1,0,0,1,0,0|1,0,1]=4 12754 B14R1.229 CC1CCN1CCCCCCCCO 34a_100000755817_100000033203 [1,0,0,1,0,0|1,0,1]=4 12755 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [1,0,0,1,0,0|1,0,0]=3 12756 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [1,0,0,1,0,0|1,0,0]=3 12757 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [1,0,0,1,0,0|1,0,0]=3 12758 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [1,0,0,1,0,0|1,0,0]=3 12759 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [1,0,0,1,0,0|1,0,0]=3 12760 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [1,0,0,1,0,0|1,0,0]=3 12761 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [1,0,0,1,0,0|1,0,0]=3 12762 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [1,0,0,1,0,0|1,0,0]=3 12763 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [1,0,0,1,0,0|1,0,0]=3 12764 B14R1.229 CCCCCNCCOC1CCC1=O 34a_100000224656_100009892977 [1,0,0,1,0,0|2,0,0]=4 12765 B14R1.229 CCCCCOCCOC1CCC1=O 34a_100011215259_100009892977 [1,0,0,1,0,0|2,0,0]=4 12766 B14R1.229 CCCCCOCCOC1CCC1=O 7a_100011215259_100009892977 [1,0,0,1,0,0|2,0,0]=4 12767 B14R1.229 CCCCOCCCNC1CCC1=O 34a_200000211371_100009892977 [1,0,0,1,0,0|2,0,0]=4 12768 B14R1.229 CCCCOCCCOC1CCC1=O 34a_200011215613_100009892977 [1,0,0,1,0,0|2,0,0]=4 12769 B14R1.229 CCCCOCCCOC1CCC1=O 7a_200011215613_100009892977 [1,0,0,1,0,0|2,0,0]=4 12770 B14R1.229 CCCCOCSCCC1CCC1=O 62a_100011995733_200016118888 [1,0,0,1,0,0|2,0,0]=4 12771 B14R1.229 CCCCOCSCCC1CCC1=O 62a_200016118888_100011995733 [1,0,0,1,0,0|2,0,0]=4 12772 B14R1.229 CCCOCCNCCC1CCC1=O 2230a_100161115042_200016118888 [1,0,0,1,0,0|2,0,0]=4 12773 B14R1.229 CCCOCCOCCC1CCC1=O 7a_100000752267_200016118888 [1,0,0,1,0,0|2,0,0]=4 12774 B14R1.229 CCCOCCSCCC1CCC1=O 62a_100011215938_200016118888 [1,0,0,1,0,0|2,0,0]=4 12775 B14R1.229 CCCOCCSCCC1CCC1=O 62a_200016118888_100011215938 [1,0,0,1,0,0|2,0,0]=4 12776 B14R1.229 CCCSCCNCCC1CCC1=O 2230a_100020603323_200016118888 [1,0,0,1,0,0|2,0,0]=4 12777 B14R1.229 CCCSCCOCCC1CCC1=O 7a_200000230433_200016118888 [1,0,0,1,0,0|2,0,0]=4 12778 B14R1.229 CCOCCCNCCC1CCC1=O 2230a_100000210961_200016118888 [1,0,0,1,0,0|2,0,0]=4 12779 B14R1.229 CCOCCCOCCC1CCC1=O 7a_100000757476_200016118888 [1,0,0,1,0,0|2,0,0]=4 12780 B14R1.229 CCOCCCSCCC1CCC1=O 62a_100012232248_200016118888 [1,0,0,1,0,0|2,0,0]=4 12781 B14R1.229 CCOCCCSCCC1CCC1=O 62a_200016118888_100012232248 [1,0,0,1,0,0|2,0,0]=4 12782 B14R1.229 CCSCCCOCCC1CCC1=O 7a_100011216438_200016118888 [1,0,0,1,0,0|2,0,0]=4 12783 B14R1.229 COCCCCCCOC1CCC1=O 34a_200012092642_100009892977 [1,0,0,1,0,0|2,0,0]=4 12784 B14R1.229 COCCCCCCOC1CCC1=O 7a_200012092642_100009892977 [1,0,0,1,0,0|2,0,0]=4 12785 B14R1.229 COCCCCCCSC1CCC1=O 62a_100009892977_100011998445 [1,0,0,1,0,0|2,0,0]=4 12786 B14R1.229 COCCCCCCSC1CCC1=O 62a_100011998445_100009892977 [1,0,0,1,0,0|2,0,0]=4 12787 B14R1.229 COCCCCSCCC1CCC1=O 62a_100000730899_200016118888 [1,0,0,1,0,0|2,0,0]=4 12788 B14R1.229 COCCCCSCCC1CCC1=O 62a_200016118888_100000730899 [1,0,0,1,0,0|2,0,0]=4 12789 B14R1.229 CSCCCCOCCC1CCC1=O 7a_100011217163_200016118888 [1,0,0,1,0,0|2,0,0]=4 12790 B14R1.229 NCCCCCCCOC1CCC1=O 34a_100011996573_100009892977 [1,0,0,1,0,0|2,0,0]=4 12791 B14R1.229 O=C1CCC1CCNCCCCCO 2230a_100000762737_200016118888 [1,0,0,1,0,0|2,0,0]=4 12792 B14R1.229 O=C1CCC1CCOCCCCCBr 7a_100000746331_200016118888 [1,0,0,1,0,0|2,0,0]=4 12793 B14R1.229 O=C1CCC1CCOCCCCCCl 7a_100000746330_200016118888 [1,0,0,1,0,0|2,0,0]=4 12794 B14R1.229 O=C1CCC1CCOCCCCCI 7a_200012148887_200016118888 [1,0,0,1,0,0|2,0,0]=4 12795 B14R1.229 O=C1CCC1CCSCCCCCF 62a_100000729378_200016118888 [1,0,0,1,0,0|2,0,0]=4 12796 B14R1.229 O=C1CCC1CCSCCCCCF 62a_200016118888_100000729378 [1,0,0,1,0,0|2,0,0]=4 12797 B14R1.229 O=C1CCC1CCSCCCCCO 62a_100000746330_200016118888 [1,0,0,1,0,0|2,0,0]=4 12798 B14R1.229 O=C1CCC1CCSCCCCCO 62a_200016118888_100000746330 [1,0,0,1,0,0|2,0,0]=4 12799 B14R1.229 O=C1CCC1NCCCCCCCO 34a_100011996573_100009892977 [1,0,0,1,0,0|2,0,0]=4 12800 B14R1.229 O=C1CCC1OCCCCCCCBr 34a_100000760002_100009892977 [1,0,0,1,0,0|2,0,0]=4 12801 B14R1.229 O=C1CCC1OCCCCCCCBr 7a_100000760002_100009892977 [1,0,0,1,0,0|2,0,0]=4 12802 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100000760002_100009892977 [1,0,0,1,0,0|2,0,0]=4 12803 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100009892977_100000760002 [1,0,0,1,0,0|2,0,0]=4 12804 B14R1.234 C=CCCCNC1CCCC1CCC 269862a_100000700776_100000723119 [1,0,0,1,0,0|2,0,0]=4 12805 B14R1.234 C=CCCCNC1CCCC1CCC 270004a_100000700776_100000723119 [1,0,0,1,0,0|2,0,0]=4 12806 B14R1.234 CCCC1CCCC1NCCCCO 269862a_100000750430_100000723119 [1,0,0,1,0,0|1,0,1]=4 12807 B14R1.234 CCCC1CCCC1NCCCCO 270004a_100000750430_100000723119 [1,0,0,1,0,0|1,0,1]=4 12808 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 2230a_100020646714_100000139335 [1,0,0,1,0,0|2,0,0]=4 12809 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 269982a_100020646714_100000139335 [1,0,0,1,0,0|2,0,0]=4 12810 B14R1.476 C=CCCCCN1CCCCC1CC 2230a_100000210034_100011215482 [1,0,0,1,0,0|2,0,0]=4 12811 B14R1.476 C=CCCCCN1CCCCC1CC 269982a_100000210034_100011215482 [1,0,0,1,0,0|2,0,0]=4 12812 B14R1.476 C=CCCCCN1CCCCC1CC 34a_100000210034_100011215482 [1,0,0,1,0,0|2,0,0]=4 12813 B14R1.476 C=CCCCNC1CCCCC1CC 269862a_100000700776_100000757040 [1,0,0,1,0,0|2,0,0]=4 12814 B14R1.476 C=CCCCNC1CCCCC1CC 270004a_100000700776_100000757040 [1,0,0,1,0,0|2,0,0]=4 12815 B14R1.476 C=CCCCOC1CCCCC1CC 34a_100000210738_100000757094 [1,0,0,1,0,0|2,0,0]=4 12816 B14R1.476 C=CCCCOC1CCCCC1CC 7a_100000210738_100000757094 [1,0,0,1,0,0|2,0,0]=4 12817 B14R1.476 CCC1CCCCC1NCCCCO 269862a_100000750430_100000757040 [1,0,0,1,0,0|1,0,1]=4 12818 B14R1.476 CCC1CCCCC1NCCCCO 270004a_100000750430_100000757040 [1,0,0,1,0,0|1,0,1]=4 12819 B14R1.476 CCC1CCCCC1OCCCC=O 7a_100000210738_200011292268 [1,0,0,1,0,0|1,0,0]=3 12820 B14R1.476 CCC1CCCCC1OCCCCO 34a_100000210738_100011216708 [1,0,0,1,0,0|1,0,1]=4 12821 B14R1.476 CCC1CCCCC1OCCCCO 7a_100000210738_100000210776 [1,0,0,1,0,0|1,0,1]=4 12822 B14R1.476 CCC1CCCCN1CCCCC=O 2230a_100000210034_100000139335 [1,0,0,1,0,0|1,0,0]=3 12823 B14R1.476 CCC1CCCCN1CCCCC=O 269982a_100000210034_100000139335 [1,0,0,1,0,0|1,0,0]=3 12824 B14R1.476 CCC1CCCCN1CCCCCO 2230a_100000210034_100000746330 [1,0,0,1,0,0|1,0,1]=4 12825 B14R1.476 CCC1CCCCN1CCCCCO 269982a_100000210034_100000746330 [1,0,0,1,0,0|1,0,1]=4 12826 B14R1.476 CCC1CCCCN1CCCCCO 34a_100000210034_100000746330 [1,0,0,1,0,0|1,0,1]=4 12827 B14R1.476 CCC1CCCCN1CCNCC=O 2230a_100000755458_200015260668 [1,0,0,1,0,0|2,0,0]=4 12828 B14R1.476 CCC1CCCCN1CCNCC=O 34a_100000755458_200009817547 [1,0,0,1,0,0|2,0,0]=4 12829 B14R1.476 CCCCCCN1CCCCC1CO 2230a_100000210821_100000210314 [1,0,0,1,0,0|1,0,1]=4 12830 B14R1.476 CCCCCCN1CCCCC1CO 269982a_100000210821_100000210757 [1,0,0,1,0,0|1,0,1]=4 12831 B14R1.476 CCCCCCN1CCCCC1CO 34a_100000210821_100000210314 [1,0,0,1,0,0|1,0,1]=4 12832 B14R1.476 CCCCCNC1CCCCC1CO 270004a_100000209983_100009861125 [1,0,0,1,0,0|1,0,1]=4 12833 B14R1.476 CC[C@H]1COCCN1CCCCC=O 2230a_100016988097_100000139335 [1,0,0,1,0,0|2,0,0]=4 12834 B14R1.476 CC[C@H]1COCCN1CCCCC=O 269982a_100016988097_100000139335 [1,0,0,1,0,0|2,0,0]=4 12835 B14R1.476 CO[C@H]1CCCC[C@@H]1OCCCC=O 7a_200009815850_200011292268 [1,0,0,1,0,0|2,0,0]=4 12836 B14R1.476 O=CCCCCN1CCCCC1CO 2230a_100000210821_100000139335 [1,0,0,1,0,0|2,0,0]=4 12837 B14R1.476 O=CCCCCN1CCCCC1CO 269982a_100000210821_100000139335 [1,0,0,1,0,0|2,0,0]=4 12838 B14R1.787 CCCCN1CCCCC1CCCO 2230a_100011934581_100000210211 [1,0,0,1,0,0|1,0,1]=4 12839 B14R1.787 CCCCN1CCCCC1CCCO 269982a_100011934581_100000210211 [1,0,0,1,0,0|1,0,1]=4 12840 B14R1.787 CCCCN1CCCCC1CCCO 34a_100011934581_100000210210 [1,0,0,1,0,0|1,0,1]=4 12841 B14R1.845 CNC1CCCCCCCCCCC1 2230a_100011194316_200000210301 [1,0,0,1,0,0|2,0,0]=4 12842 B14R1.845 CNC1CCCCCCCCCCC1 270004a_106832991635_100000210130 [1,0,0,1,0,0|2,0,0]=4 12843 B14R1.845 CNC1CCCCCCCCCCC1 34a_100011194316_200000210301 [1,0,0,1,0,0|2,0,0]=4 12844 B14R1.845 COC1CCCCCCCCCCC1 34a_100000211378_200000210301 [1,0,0,1,0,0|2,0,0]=4 12845 B14R1.845 COC1CCCCCCCCCCC1 7a_100000211378_200000210301 [1,0,0,1,0,0|2,0,0]=4 12846 B14R1.845 [13CH3]NC1CCCCCCCCCCC1 2230a_100011194316_200025704644 [1,0,0,1,0,0|2,0,0]=4 12847 B14R1.845 [13CH3]NC1CCCCCCCCCCC1 34a_100011194316_200025704644 [1,0,0,1,0,0|2,0,0]=4 12848 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 34a_100000211378_200025704644 [1,0,0,1,0,0|2,0,0]=4 12849 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 7a_100000211378_200025704644 [1,0,0,1,0,0|2,0,0]=4 12850 B14R1.882 C=CCCCCCN1CCCCC1C 2230a_100000211376_100000700193 [1,0,0,1,0,0|2,0,0]=4 12851 B14R1.882 C=CCCCCCN1CCCCC1C 269982a_100000211376_100000700193 [1,0,0,1,0,0|2,0,0]=4 12852 B14R1.882 C=CCCCCCN1CCCCC1C 34a_100000211376_100000700193 [1,0,0,1,0,0|2,0,0]=4 12853 B14R1.882 C=CCCCCNC1CCCCC1C 2230a_100000211402_100011215482 [1,0,0,1,0,0|2,0,0]=4 12854 B14R1.882 C=CCCCCNC1CCCCC1C 269862a_100000703577_100000210921 [1,0,0,1,0,0|2,0,0]=4 12855 B14R1.882 C=CCCCCNC1CCCCC1C 270004a_100000703577_100000210921 [1,0,0,1,0,0|2,0,0]=4 12856 B14R1.882 C=CCCCCNC1CCCCC1C 34a_100000211402_100011215482 [1,0,0,1,0,0|2,0,0]=4 12857 B14R1.882 C=CCCCCOC1CCCCC1C 34a_100000211207_100011215482 [1,0,0,1,0,0|2,0,0]=4 12858 B14R1.882 C=CCCCCOC1CCCCC1C 7a_100000211207_100011215482 [1,0,0,1,0,0|2,0,0]=4 12859 B14R1.882 CC1CCCCC1NCCCCC=O 2230a_100000211402_100000139335 [1,0,0,1,0,0|1,0,0]=3 12860 B14R1.882 CC1CCCCC1NCCCCCO 2230a_100000211402_100000746330 [1,0,0,1,0,0|1,0,1]=4 12861 B14R1.882 CC1CCCCC1NCCCCCO 269862a_100000762737_100000210921 [1,0,0,1,0,0|1,0,1]=4 12862 B14R1.882 CC1CCCCC1NCCCCCO 270004a_100000762737_100000210921 [1,0,0,1,0,0|1,0,1]=4 12863 B14R1.882 CC1CCCCC1NCCCCCO 34a_100000211402_100000746330 [1,0,0,1,0,0|1,0,1]=4 12864 B14R1.882 CC1CCCCC1OCCCCC=O 7a_100000211207_100000139335 [1,0,0,1,0,0|1,0,0]=3 12865 B14R1.882 CC1CCCCC1OCCCCCO 34a_100000211207_100000746330 [1,0,0,1,0,0|1,0,1]=4 12866 B14R1.882 CC1CCCCC1OCCCCCO 7a_100000211207_100000746330 [1,0,0,1,0,0|1,0,1]=4 12867 B14R1.882 CC1CCCCN1CCCCCC=O 2230a_100000211376_100000139337 [1,0,0,1,0,0|1,0,0]=3 12868 B14R1.882 CC1CCCCN1CCCCCC=O 269982a_100000211376_100000139337 [1,0,0,1,0,0|1,0,0]=3 12869 B14R1.882 CC1CCCCN1CCCCCCO 2230a_100000211376_100000766143 [1,0,0,1,0,0|1,0,1]=4 12870 B14R1.882 CC1CCCCN1CCCCCCO 269982a_100000211376_100000766143 [1,0,0,1,0,0|1,0,1]=4 12871 B14R1.882 CC1CCCCN1CCCCCCO 34a_100000211376_100000766143 [1,0,0,1,0,0|1,0,1]=4 12872 B14R1.882 CC1CCCCN1CCCNCC=O 34a_100000212276_200009817547 [1,0,0,1,0,0|2,0,0]=4 12873 B14R1.882 CC1CCCCN1CCCOCC=O 34a_100000213889_200009817547 [1,0,0,1,0,0|2,0,0]=4 12874 B14R1.882 CC1CCCCN1CCCOCC=O 7a_100000213889_200015260668 [1,0,0,1,0,0|2,0,0]=4 12875 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000210581_100000687798 [1,0,0,1,0,0|2,0,0]=4 12876 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000747585_100000210314 [1,0,0,1,0,0|2,0,0]=4 12877 B14R1.882 CCCCCCNC1CCCNC1=O 34a_100000747585_100000210314 [1,0,0,1,0,0|2,0,0]=4 12878 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [1,0,0,1,0,0|1,0,0]=3 12879 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [1,0,0,1,0,0|1,0,0]=3 12880 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [1,0,0,1,0,0|1,0,0]=3 12881 B14R1.882 CCCCCCOC1CCCCC1O 34a_100000210259_100000038908 [1,0,0,1,0,0|1,0,1]=4 12882 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000073722_100000210314 [1,0,0,1,0,0|2,0,0]=4 12883 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000210259_100000687798 [1,0,0,1,0,0|2,0,0]=4 12884 B14R1.882 CCCCCCOC1CCCNC1=O 7a_100000210259_100000687798 [1,0,0,1,0,0|2,0,0]=4 12885 B14R1.882 CCCCCCOC1COCCC1=O 34a_100000210259_100012180262 [1,0,0,1,0,0|2,0,0]=4 12886 B14R1.882 CCCCCCOC1COCCC1=O 7a_100000210259_100012180262 [1,0,0,1,0,0|2,0,0]=4 12887 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [1,0,0,1,0,0|1,0,0]=3 12888 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [1,0,0,1,0,0|1,0,0]=3 12889 B14R1.882 CCCCCCSC1CCCCC1O 62a_100000038908_100000210757 [1,0,0,1,0,0|1,0,1]=4 12890 B14R1.882 CCCCCCSC1CCCCC1O 62a_100000210314_100000038908 [1,0,0,1,0,0|1,0,1]=4 12891 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000210314_100000687798 [1,0,0,1,0,0|2,0,0]=4 12892 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000687798_100000210757 [1,0,0,1,0,0|2,0,0]=4 12893 B14R1.882 CCCCCCSC1COCCC1=O 62a_100000210314_100012180262 [1,0,0,1,0,0|2,0,0]=4 12894 B14R1.882 CCCCCCSC1COCCC1=O 62a_100012180262_100000210757 [1,0,0,1,0,0|2,0,0]=4 12895 B14R1.882 CCCCCNCC1CCCCC1O 34a_100011216029_100000718602 [1,0,0,1,0,0|1,0,1]=4 12896 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [1,0,0,1,0,0|1,0,0]=3 12897 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [1,0,0,1,0,0|1,0,0]=3 12898 B14R1.882 CCCCNCCN1CCCCC1=O 2230a_100160573077_100000210211 [1,0,0,1,0,0|2,0,0]=4 12899 B14R1.882 CCCCNCCN1CCCCC1=O 34a_100160573077_100000210210 [1,0,0,1,0,0|2,0,0]=4 12900 B14R1.882 CCCCOCOC1CCCCC1=O 34a_100011214950_100011995733 [1,0,0,1,0,0|2,0,0]=4 12901 B14R1.882 CCCCOCSC1CCCCC1=O 62a_100000204591_100011995733 [1,0,0,1,0,0|2,0,0]=4 12902 B14R1.882 CCCCOCSC1CCCCC1=O 62a_100011995733_100000204591 [1,0,0,1,0,0|2,0,0]=4 12903 B14R1.882 CCCOCCNC1CCCCC1=O 34a_100161115042_100000754470 [1,0,0,1,0,0|2,0,0]=4 12904 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100000752267_100000754470 [1,0,0,1,0,0|2,0,0]=4 12905 B14R1.882 CCCOCCOC1CCCCC1=O 34a_100011214950_100011215938 [1,0,0,1,0,0|2,0,0]=4 12906 B14R1.882 CCCOCCOC1CCCCC1=O 7a_100000752267_100000204591 [1,0,0,1,0,0|2,0,0]=4 12907 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100000204591_100011215938 [1,0,0,1,0,0|2,0,0]=4 12908 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100011215938_100000204591 [1,0,0,1,0,0|2,0,0]=4 12909 B14R1.882 CCCSCCOC1CCCCC1=O 34a_200000230433_100000754470 [1,0,0,1,0,0|2,0,0]=4 12910 B14R1.882 CCCSCCOC1CCCCC1=O 7a_200000230433_100000204591 [1,0,0,1,0,0|2,0,0]=4 12911 B14R1.882 CCOCCCNC1CCCCC1=O 34a_100000210961_100000754470 [1,0,0,1,0,0|2,0,0]=4 12912 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100000757476_100000754470 [1,0,0,1,0,0|2,0,0]=4 12913 B14R1.882 CCOCCCOC1CCCCC1=O 34a_100011214950_100012232248 [1,0,0,1,0,0|2,0,0]=4 12914 B14R1.882 CCOCCCOC1CCCCC1=O 7a_100000757476_100000204591 [1,0,0,1,0,0|2,0,0]=4 12915 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100000204591_100012232248 [1,0,0,1,0,0|2,0,0]=4 12916 B14R1.882 CCOCCCSC1CCCCC1=O 62a_100012232248_100000204591 [1,0,0,1,0,0|2,0,0]=4 12917 B14R1.882 CCOCCOCC1CCCCC1=O 34a_100009861125_100000210147 [1,0,0,1,0,0|2,0,0]=4 12918 B14R1.882 CCOCCOCC1CCCCC1=O 7a_100009861125_100011215890 [1,0,0,1,0,0|2,0,0]=4 12919 B14R1.882 CCSCCCOC1CCCCC1=O 34a_100011216438_100000754470 [1,0,0,1,0,0|2,0,0]=4 12920 B14R1.882 CCSCCCOC1CCCCC1=O 7a_100011216438_100000204591 [1,0,0,1,0,0|2,0,0]=4 12921 B14R1.882 CCSCCOCC1CCCCC1=O 34a_100009861125_100000757381 [1,0,0,1,0,0|2,0,0]=4 12922 B14R1.882 CCSCCOCC1CCCCC1=O 7a_100009861125_100000757381 [1,0,0,1,0,0|2,0,0]=4 12923 B14R1.882 CN1CCCCC1CSCCCC=O 62a_100015185383_200011292268 [1,0,0,1,0,0|2,0,0]=4 12924 B14R1.882 CN1CCCCC1CSCCCC=O 62a_200011292268_100015185383 [1,0,0,1,0,0|2,0,0]=4 12925 B14R1.882 COCCCCOC1CCCCC1=O 34a_100000740925_100000754470 [1,0,0,1,0,0|2,0,0]=4 12926 B14R1.882 COCCCCOC1CCCCC1=O 34a_100011214950_100000755781 [1,0,0,1,0,0|2,0,0]=4 12927 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000204591_100000730899 [1,0,0,1,0,0|2,0,0]=4 12928 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000730899_100000204591 [1,0,0,1,0,0|2,0,0]=4 12929 B14R1.882 COCCCOCC1CCCCC1=O 34a_100009861125_100000740836 [1,0,0,1,0,0|2,0,0]=4 12930 B14R1.882 COCCCOCC1CCCCC1=O 7a_100009861125_100000740836 [1,0,0,1,0,0|2,0,0]=4 12931 B14R1.882 CSCCCCOC1CCCCC1=O 34a_100011217163_100000754470 [1,0,0,1,0,0|2,0,0]=4 12932 B14R1.882 CSCCCCOC1CCCCC1=O 7a_100011217163_100000204591 [1,0,0,1,0,0|2,0,0]=4 12933 B14R1.882 C[C@H]1COCCN1CCCCCC=O 2230a_100009815349_100000139337 [1,0,0,1,0,0|2,0,0]=4 12934 B14R1.882 C[C@H]1COCCN1CCCCCC=O 269982a_100009815349_100000139337 [1,0,0,1,0,0|2,0,0]=4 12935 B14R1.882 NCCCCCOC1CCCCC1=O 34a_100000762737_100000754470 [1,0,0,1,0,0|2,0,0]=4 12936 B14R1.882 O=C1CCCCC1COCCCCF 34a_100009861125_100000729493 [1,0,0,1,0,0|2,0,0]=4 12937 B14R1.882 O=C1CCCCC1COCCCCF 7a_100009861125_100000729493 [1,0,0,1,0,0|2,0,0]=4 12938 B14R1.882 O=C1CCCCC1COCCCCO 34a_100009861125_100011216708 [1,0,0,1,0,0|2,0,0]=4 12939 B14R1.882 O=C1CCCCC1COCCCCO 7a_100009861125_100000210776 [1,0,0,1,0,0|2,0,0]=4 12940 B14R1.882 O=C1CCCCC1NCCCCCO 34a_100000762737_100000754470 [1,0,0,1,0,0|2,0,0]=4 12941 B14R1.882 O=C1CCCCC1OCCCCCBr 34a_100000746331_100000754470 [1,0,0,1,0,0|2,0,0]=4 12942 B14R1.882 O=C1CCCCC1OCCCCCBr 7a_100000746331_100000204591 [1,0,0,1,0,0|2,0,0]=4 12943 B14R1.882 O=C1CCCCC1OCCCCCCl 34a_100000746330_100000754470 [1,0,0,1,0,0|2,0,0]=4 12944 B14R1.882 O=C1CCCCC1OCCCCCCl 7a_100000746330_100000204591 [1,0,0,1,0,0|2,0,0]=4 12945 B14R1.882 O=C1CCCCC1OCCCCCF 34a_100011214950_100000729378 [1,0,0,1,0,0|2,0,0]=4 12946 B14R1.882 O=C1CCCCC1OCCCCCI 34a_200012148887_100000754470 [1,0,0,1,0,0|2,0,0]=4 12947 B14R1.882 O=C1CCCCC1OCCCCCI 7a_200012148887_100000204591 [1,0,0,1,0,0|2,0,0]=4 12948 B14R1.882 O=C1CCCCC1OCCCCCO 34a_100011214950_100000746330 [1,0,0,1,0,0|2,0,0]=4 12949 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000204591_100000729378 [1,0,0,1,0,0|2,0,0]=4 12950 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000729378_100000204591 [1,0,0,1,0,0|2,0,0]=4 12951 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000204591_100000746330 [1,0,0,1,0,0|2,0,0]=4 12952 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000746330_100000204591 [1,0,0,1,0,0|2,0,0]=4 12953 B14R1.882 O=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139335 [1,0,0,1,0,0|2,0,0]=4 12954 B14R1.882 O=CCCCCOC1CCCCC1Cl 7a_100000038908_100000139335 [1,0,0,1,0,0|2,0,0]=4 12955 B14R1.882 O=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139335 [1,0,0,1,0,0|2,0,0]=4 12956 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100000139335_100015423560 [1,0,0,1,0,0|2,0,0]=4 12957 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100015423560_100000139335 [1,0,0,1,0,0|2,0,0]=4 12958 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000038908_100000139335 [1,0,0,1,0,0|2,0,0]=4 12959 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000139335_100000038908 [1,0,0,1,0,0|2,0,0]=4 12960 B14R1.891 C=CCCCCCCCCN1CCC1 269982a_100000754969_100011933949 [1,0,0,1,0,0|2,0,0]=4 12961 B14R1.891 C=CCCCCCCCNC1CCC1 2230a_100000749019_100012355270 [1,0,0,1,0,0|2,0,0]=4 12962 B14R1.891 C=CCCCCCCCNC1CCC1 34a_100000749019_100012355270 [1,0,0,1,0,0|2,0,0]=4 12963 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000730831_100000749161 [1,0,0,1,0,0|2,0,0]=4 12964 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000748187_100012355270 [1,0,0,1,0,0|2,0,0]=4 12965 B14R1.891 C=CCCCCCCCSC1CCC1 62a_100012355270_100000749161 [1,0,0,1,0,0|2,0,0]=4 12966 B14R1.891 C=CCCCCCCNCC1CCC1 2230a_100000738700_100011215473 [1,0,0,1,0,0|2,0,0]=4 12967 B14R1.891 C=CCCCCCCNCC1CCC1 34a_100000738700_100011215473 [1,0,0,1,0,0|2,0,0]=4 12968 B14R1.891 C=CCCCCCCOCC1CCC1 34a_100000760304_100011215473 [1,0,0,1,0,0|2,0,0]=4 12969 B14R1.891 C=CCCCCCCOCC1CCC1 34a_200011216477_100000763275 [1,0,0,1,0,0|2,0,0]=4 12970 B14R1.891 C=CCCCCCCOCC1CCC1 7a_200011216477_100000763275 [1,0,0,1,0,0|2,0,0]=4 12971 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100000763275_100011215473 [1,0,0,1,0,0|2,0,0]=4 12972 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100011215473_100000763275 [1,0,0,1,0,0|2,0,0]=4 12973 B14R1.891 CCCCCCCCNCC1CCO1 2230a_100000229939_100000103362 [1,0,0,1,0,0|1,0,1]=4 12974 B14R1.891 CCCCCCCCNCC1CCO1 34a_100000229939_100000103362 [1,0,0,1,0,0|1,0,1]=4 12975 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210759 [1,0,0,1,0,0|1,0,1]=4 12976 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210759 [1,0,0,1,0,0|1,0,1]=4 12977 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000039022_100000210759 [1,0,0,1,0,0|1,0,1]=4 12978 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000210232_100000103362 [1,0,0,1,0,0|1,0,1]=4 12979 B14R1.891 CCCCCCCCOCC1CCO1 7a_100000210232_100000103362 [1,0,0,1,0,0|1,0,1]=4 12980 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000103362_100000210317 [1,0,0,1,0,0|1,0,1]=4 12981 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000210759_100000103362 [1,0,0,1,0,0|1,0,1]=4 12982 B14R1.891 OCCCCCCCCCN1CCC1 269982a_100000754969_100009813782 [1,0,0,1,0,0|1,0,1]=4 12983 B14R1.891 OCCCCCCCCNC1CCC1 2230a_100000749019_100000033203 [1,0,0,1,0,0|1,0,1]=4 12984 B14R1.891 OCCCCCCCCNC1CCC1 270004a_102515433106_100000241760 [1,0,0,1,0,0|1,0,1]=4 12985 B14R1.891 OCCCCCCCCNC1CCC1 34a_100000749019_100000033203 [1,0,0,1,0,0|1,0,1]=4 12986 B14R1.891 OCCCCCCCCNC1CCC1 34a_102515433106_100000749161 [1,0,0,1,0,0|1,0,1]=4 12987 B14R1.891 OCCCCCCCCOC1CCC1 34a_100000748187_100000033203 [1,0,0,1,0,0|1,0,1]=4 12988 B14R1.891 OCCCCCCCCSC1CCC1 62a_100000033203_100000749161 [1,0,0,1,0,0|1,0,1]=4 12989 B14R1.891 OCCCCCCCNCC1CCC1 2230a_100000738700_100000760002 [1,0,0,1,0,0|1,0,1]=4 12990 B14R1.891 OCCCCCCCNCC1CCC1 2230a_100011996573_100000763275 [1,0,0,1,0,0|1,0,1]=4 12991 B14R1.891 OCCCCCCCNCC1CCC1 269862a_100011996573_100000753134 [1,0,0,1,0,0|1,0,1]=4 12992 B14R1.891 OCCCCCCCNCC1CCC1 34a_100000738700_100000760002 [1,0,0,1,0,0|1,0,1]=4 12993 B14R1.891 OCCCCCCCNCC1CCC1 34a_100011996573_100000763275 [1,0,0,1,0,0|1,0,1]=4 12994 B14R1.891 OCCCCCCCOCC1CCC1 34a_100000760304_100000760002 [1,0,0,1,0,0|1,0,1]=4 12995 B14R1.891 OCCCCCCCSCC1CCC1 62a_100000760002_100000763275 [1,0,0,1,0,0|1,0,1]=4 12996 B14R1.891 OCCCCCCCSCC1CCC1 62a_100000763275_100000760002 [1,0,0,1,0,0|1,0,1]=4 12997 B14R1.904 C=CCC1CCCCC1NCCCC 269862a_100000102301_100011214939 [1,0,0,1,0,0|2,0,0]=4 12998 B14R1.904 C=CCC1CCCCC1NCCCC 270004a_100000102301_100011214939 [1,0,0,1,0,0|2,0,0]=4 12999 B14R1.904 C=CCCCN1CCCCC1CCC 2230a_100000701414_100011713584 [1,0,0,1,0,0|2,0,0]=4 13000 B14R1.904 C=CCCCN1CCCCC1CCC 269982a_100000701414_100000757094 [1,0,0,1,0,0|2,0,0]=4 13001 B14R1.904 C=CCCCN1CCCCC1CCC 34a_100000701414_100000757094 [1,0,0,1,0,0|2,0,0]=4 13002 B14R1.904 C=CCCNC1CCCCC1CCC 269862a_100015191253_100011218038 [1,0,0,1,0,0|2,0,0]=4 13003 B14R1.904 C=CCCNC1CCCCC1CCC 270004a_100015191253_100011218038 [1,0,0,1,0,0|2,0,0]=4 13004 B14R1.904 C=CCCOC1CCCCC1CCC 34a_100011217265_100000754431 [1,0,0,1,0,0|2,0,0]=4 13005 B14R1.904 C=CCCOC1CCCCC1CCC 7a_100011217265_100000754431 [1,0,0,1,0,0|2,0,0]=4 13006 B14R1.904 CCCC1CCCCC1NCCCO 269862a_100000182051_100011218038 [1,0,0,1,0,0|1,0,1]=4 13007 B14R1.904 CCCC1CCCCC1NCCCO 270004a_100000182051_100011218038 [1,0,0,1,0,0|1,0,1]=4 13008 B14R1.904 CCCC1CCCCC1OCCCO 34a_100011217265_100000230001 [1,0,0,1,0,0|1,0,1]=4 13009 B14R1.904 CCCC1CCCCC1OCCCO 7a_100011217265_100011215043 [1,0,0,1,0,0|1,0,1]=4 13010 B14R1.904 CCCC1CCCCN1CCCC=O 2230a_100000701414_200011292268 [1,0,0,1,0,0|1,0,0]=3 13011 B14R1.904 CCCC1CCCCN1CCCC=O 269982a_100000701414_200011292268 [1,0,0,1,0,0|1,0,0]=3 13012 B14R1.904 CCCC1CCCCN1CCCCO 2230a_100000701414_100000210776 [1,0,0,1,0,0|1,0,1]=4 13013 B14R1.904 CCCC1CCCCN1CCCCO 269982a_100000701414_100000210776 [1,0,0,1,0,0|1,0,1]=4 13014 B14R1.904 CCCC1CCCCN1CCCCO 34a_100000701414_100011216708 [1,0,0,1,0,0|1,0,1]=4 13015 B14R1.904 CCCC1COCCN1CCCC=O 2230a_102495339903_200011292268 [1,0,0,1,0,0|2,0,0]=4 13016 B14R1.904 CCCC1COCCN1CCCC=O 269982a_102495339903_200011292268 [1,0,0,1,0,0|2,0,0]=4 13017 B14R1.904 CCCCCN1CCCCC1CCO 2230a_100000211664_100000210326 [1,0,0,1,0,0|1,0,1]=4 13018 B14R1.904 CCCCCN1CCCCC1CCO 269982a_100000211664_100000210215 [1,0,0,1,0,0|1,0,1]=4 13019 B14R1.904 CCCCCN1CCCCC1CCO 34a_100000211664_100000718602 [1,0,0,1,0,0|1,0,1]=4 13020 B14R1.904 COCC1CCCCN1CCCC=O 2230a_100015184032_200011292268 [1,0,0,1,0,0|2,0,0]=4 13021 B14R1.904 COCC1CCCCN1CCCC=O 269982a_100015184032_200011292268 [1,0,0,1,0,0|2,0,0]=4 13022 B14R1.904 COCCCC1CCCCN1CC=O 2230a_100011804088_200015260668 [1,0,0,1,0,0|2,0,0]=4 13023 B14R1.904 COCCCC1CCCCN1CC=O 269982a_100011804088_200015260668 [1,0,0,1,0,0|2,0,0]=4 13024 B14R1.904 COCCCC1CCCCN1CC=O 34a_100011804088_200009817547 [1,0,0,1,0,0|2,0,0]=4 13025 B14R1.904 O=CCCCN1CCCCC1CCO 2230a_100000211664_200011292268 [1,0,0,1,0,0|2,0,0]=4 13026 B14R1.904 O=CCCCN1CCCCC1CCO 269982a_100000211664_200011292268 [1,0,0,1,0,0|2,0,0]=4 13027 B14R1.911 C=CCCNC1CCCC1CCCC 269862a_100015191253_100000750825 [1,0,0,1,0,0|2,0,0]=4 13028 B14R1.911 C=CCCNC1CCCC1CCCC 270004a_100015191253_100000750825 [1,0,0,1,0,0|2,0,0]=4 13029 B14R1.911 C=CCNC1CCCC1CCCCC 270004a_100020586998_200000198059 [1,0,0,1,0,0|2,0,0]=4 13030 B14R1.911 CCCCC1CCCC1NCCCO 269862a_100000182051_100000750825 [1,0,0,1,0,0|1,0,1]=4 13031 B14R1.911 CCCCC1CCCC1NCCCO 270004a_100000182051_100000750825 [1,0,0,1,0,0|1,0,1]=4 13032 B14R1.911 CCCCCC1CCCC1NCCO 269862a_100000210304_200000198059 [1,0,0,1,0,0|1,0,1]=4 13033 B14R1.911 CCCCCC1CCCC1NCCO 270004a_100000210304_200000198059 [1,0,0,1,0,0|1,0,1]=4 13034 B14R1.1254 C=CCCCCN1CCCCCCC1 2230a_100000211400_100011215482 [1,0,0,1,0,0|2,0,0]=4 13035 B14R1.1254 C=CCCCCN1CCCCCCC1 269982a_100000211400_100011215482 [1,0,0,1,0,0|2,0,0]=4 13036 B14R1.1254 C=CCCCCN1CCCCCCC1 34a_100000211400_100011215482 [1,0,0,1,0,0|2,0,0]=4 13037 B14R1.1254 C=CCCCNC1CCCCCCC1 2230a_100000211152_100011713584 [1,0,0,1,0,0|2,0,0]=4 13038 B14R1.1254 C=CCCCNC1CCCCCCC1 270004a_100000700776_100000210524 [1,0,0,1,0,0|2,0,0]=4 13039 B14R1.1254 C=CCCCNC1CCCCCCC1 34a_100000211152_100000757094 [1,0,0,1,0,0|2,0,0]=4 13040 B14R1.1254 C=CCCCOC1CCCCCCC1 34a_100000210054_100000757094 [1,0,0,1,0,0|2,0,0]=4 13041 B14R1.1254 C=CCCCOC1CCCCCCC1 7a_100000210054_100000757094 [1,0,0,1,0,0|2,0,0]=4 13042 B14R1.1254 C=CCCOCC1CCCCCCC1 34a_100011216312_100000754431 [1,0,0,1,0,0|2,0,0]=4 13043 B14R1.1254 C=CCCOCC1CCCCCCC1 7a_100011216312_100000754431 [1,0,0,1,0,0|2,0,0]=4 13044 B14R1.1254 C=CCNCCC1CCCCCCC1 2230a_100011532352_100000210623 [1,0,0,1,0,0|2,0,0]=4 13045 B14R1.1254 C=CCNCCC1CCCCCCC1 34a_100011532352_100015514636 [1,0,0,1,0,0|2,0,0]=4 13046 B14R1.1254 CCCCCOC1C=CCCCCC1 34a_100000688657_100000718602 [1,0,0,1,0,0|2,0,0]=4 13047 B14R1.1254 O=CCCCCN1CCCCCCC1 2230a_100000211400_100000139335 [1,0,0,1,0,0|1,0,0]=3 13048 B14R1.1254 O=CCCCCN1CCCCCCC1 269982a_100000211400_100000139335 [1,0,0,1,0,0|1,0,0]=3 13049 B14R1.1254 O=CCCCNC1CCCCCCC1 2230a_100000211152_200011292268 [1,0,0,1,0,0|1,0,0]=3 13050 B14R1.1254 O=CCCCOC1CCCCCCC1 7a_100000210054_200011292268 [1,0,0,1,0,0|1,0,0]=3 13051 B14R1.1254 O=CCNCCC1CCCCCCC1 2230a_100011532352_200015260668 [1,0,0,1,0,0|1,0,0]=3 13052 B14R1.1254 O=CCNCCC1CCCCCCC1 34a_100011532352_200009817547 [1,0,0,1,0,0|1,0,0]=3 13053 B14R1.1254 OCCCCCN1CCCCCCC1 2230a_100000211400_100000746330 [1,0,0,1,0,0|1,0,1]=4 13054 B14R1.1254 OCCCCCN1CCCCCCC1 269982a_100000211400_100000746330 [1,0,0,1,0,0|1,0,1]=4 13055 B14R1.1254 OCCCCCN1CCCCCCC1 34a_100000211400_100000746330 [1,0,0,1,0,0|1,0,1]=4 13056 B14R1.1254 OCCCCNC1CCCCCCC1 2230a_100000211152_100000210776 [1,0,0,1,0,0|1,0,1]=4 13057 B14R1.1254 OCCCCNC1CCCCCCC1 270004a_100000750430_100000210524 [1,0,0,1,0,0|1,0,1]=4 13058 B14R1.1254 OCCCCNC1CCCCCCC1 34a_100000211152_100011216708 [1,0,0,1,0,0|1,0,1]=4 13059 B14R1.1254 OCCCCOC1CCCCCCC1 34a_100000210054_100011216708 [1,0,0,1,0,0|1,0,1]=4 13060 B14R1.1254 OCCCCOC1CCCCCCC1 7a_100000210054_100000210776 [1,0,0,1,0,0|1,0,1]=4 13061 B14R1.1254 OCCCOCC1CCCCCCC1 34a_100011216312_100000230001 [1,0,0,1,0,0|1,0,1]=4 13062 B14R1.1254 OCCCOCC1CCCCCCC1 7a_100011216312_100011215043 [1,0,0,1,0,0|1,0,1]=4 13063 B14R1.1254 OCCNCCC1CCCCCCC1 2230a_100011532352_100000211926 [1,0,0,1,0,0|1,0,1]=4 13064 B14R1.1254 OCCNCCC1CCCCCCC1 34a_100011532352_100000211926 [1,0,0,1,0,0|1,0,1]=4 13065 B14R1.2352 C=CCCCCCN1CCCCCC1 2230a_100000185865_100000700193 [1,0,0,1,0,0|2,0,0]=4 13066 B14R1.2352 C=CCCCCCN1CCCCCC1 269982a_100000185865_100000700193 [1,0,0,1,0,0|2,0,0]=4 13067 B14R1.2352 C=CCCCCCN1CCCCCC1 34a_100000185865_100000700193 [1,0,0,1,0,0|2,0,0]=4 13068 B14R1.2352 C=CCCCCNC1CCCCCC1 2230a_100000210984_100011215482 [1,0,0,1,0,0|2,0,0]=4 13069 B14R1.2352 C=CCCCCNC1CCCCCC1 270004a_100000703577_100000210131 [1,0,0,1,0,0|2,0,0]=4 13070 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000210984_100011215482 [1,0,0,1,0,0|2,0,0]=4 13071 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000703577_100011217769 [1,0,0,1,0,0|2,0,0]=4 13072 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000210887_100011215482 [1,0,0,1,0,0|2,0,0]=4 13073 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000766645_100011217769 [1,0,0,1,0,0|2,0,0]=4 13074 B14R1.2352 C=CCCCCOC1CCCCCC1 7a_100000210887_100011215482 [1,0,0,1,0,0|2,0,0]=4 13075 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011215482_100011217769 [1,0,0,1,0,0|2,0,0]=4 13076 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011217769_100011215482 [1,0,0,1,0,0|2,0,0]=4 13077 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100000700776_200000696569 [1,0,0,1,0,0|2,0,0]=4 13078 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100015204231_100011713584 [1,0,0,1,0,0|2,0,0]=4 13079 B14R1.2352 C=CCCCNCC1CCCCCC1 269862a_100000700776_200000763224 [1,0,0,1,0,0|2,0,0]=4 13080 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100000700776_200000696569 [1,0,0,1,0,0|2,0,0]=4 13081 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100015204231_100000757094 [1,0,0,1,0,0|2,0,0]=4 13082 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000699130_100000757094 [1,0,0,1,0,0|2,0,0]=4 13083 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000758997_200000696569 [1,0,0,1,0,0|2,0,0]=4 13084 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000699130_100000757094 [1,0,0,1,0,0|2,0,0]=4 13085 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000758997_200000696569 [1,0,0,1,0,0|2,0,0]=4 13086 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_100011713584_200000696569 [1,0,0,1,0,0|2,0,0]=4 13087 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_200000696569_100000757094 [1,0,0,1,0,0|2,0,0]=4 13088 B14R1.2352 C=CCCNCCC1CCCCCC1 2230a_100011532351_100000754431 [1,0,0,1,0,0|2,0,0]=4 13089 B14R1.2352 C=CCCNCCC1CCCCCC1 34a_100011532351_100000754431 [1,0,0,1,0,0|2,0,0]=4 13090 B14R1.2352 O=CCCCCCN1CCCCCC1 2230a_100000185865_100000139337 [1,0,0,1,0,0|1,0,0]=3 13091 B14R1.2352 O=CCCCCCN1CCCCCC1 269982a_100000185865_100000139337 [1,0,0,1,0,0|1,0,0]=3 13092 B14R1.2352 O=CCCCCCN1CCCOCC1 2230a_100000685342_100000139337 [1,0,0,1,0,0|2,0,0]=4 13093 B14R1.2352 O=CCCCCCN1CCCOCC1 269982a_100000685342_100000139337 [1,0,0,1,0,0|2,0,0]=4 13094 B14R1.2352 O=CCCCCNC1CCCCCC1 2230a_100000210984_100000139335 [1,0,0,1,0,0|1,0,0]=3 13095 B14R1.2352 O=CCCCCOC1CCCCCC1 7a_100000210887_100000139335 [1,0,0,1,0,0|1,0,0]=3 13096 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100000139335_100011217769 [1,0,0,1,0,0|1,0,0]=3 13097 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100011217769_100000139335 [1,0,0,1,0,0|1,0,0]=3 13098 B14R1.2352 O=CCCCNCC1CCCCCC1 2230a_100015204231_200011292268 [1,0,0,1,0,0|1,0,0]=3 13099 B14R1.2352 O=CCCCOCC1CCCCCC1 7a_100000699130_200011292268 [1,0,0,1,0,0|1,0,0]=3 13100 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200000696569_200011292268 [1,0,0,1,0,0|1,0,0]=3 13101 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200011292268_200000696569 [1,0,0,1,0,0|1,0,0]=3 13102 B14R1.2352 O=CCOCCCN1CCCCCC1 34a_100102886287_200009817547 [1,0,0,1,0,0|2,0,0]=4 13103 B14R1.2352 O=CCOCCCN1CCCCCC1 7a_100102886287_200015260668 [1,0,0,1,0,0|2,0,0]=4 13104 B14R1.2352 OCCCCCCN1CCCCCC1 2230a_100000185865_100000766143 [1,0,0,1,0,0|1,0,1]=4 13105 B14R1.2352 OCCCCCCN1CCCCCC1 269982a_100000185865_100000766143 [1,0,0,1,0,0|1,0,1]=4 13106 B14R1.2352 OCCCCCCN1CCCCCC1 34a_100000185865_100000766143 [1,0,0,1,0,0|1,0,1]=4 13107 B14R1.2352 OCCCCCNC1CCCCCC1 2230a_100000210984_100000746330 [1,0,0,1,0,0|1,0,1]=4 13108 B14R1.2352 OCCCCCNC1CCCCCC1 270004a_100000762737_100000210131 [1,0,0,1,0,0|1,0,1]=4 13109 B14R1.2352 OCCCCCNC1CCCCCC1 34a_100000210984_100000746330 [1,0,0,1,0,0|1,0,1]=4 13110 B14R1.2352 OCCCCCNC1CCCCCC1 34a_100000762737_100011217769 [1,0,0,1,0,0|1,0,1]=4 13111 B14R1.2352 OCCCCCOC1CCCCCC1 34a_100000210887_100000746330 [1,0,0,1,0,0|1,0,1]=4 13112 B14R1.2352 OCCCCCOC1CCCCCC1 7a_100000210887_100000746330 [1,0,0,1,0,0|1,0,1]=4 13113 B14R1.2352 OCCCCCSC1CCCCCC1 62a_100000746330_100011217769 [1,0,0,1,0,0|1,0,1]=4 13114 B14R1.2352 OCCCCCSC1CCCCCC1 62a_100011217769_100000746330 [1,0,0,1,0,0|1,0,1]=4 13115 B14R1.2352 OCCCCNCC1CCCCCC1 2230a_100000750430_200000696569 [1,0,0,1,0,0|1,0,1]=4 13116 B14R1.2352 OCCCCNCC1CCCCCC1 2230a_100015204231_100000210776 [1,0,0,1,0,0|1,0,1]=4 13117 B14R1.2352 OCCCCNCC1CCCCCC1 269862a_100000750430_200000763224 [1,0,0,1,0,0|1,0,1]=4 13118 B14R1.2352 OCCCCNCC1CCCCCC1 34a_100000750430_200000696569 [1,0,0,1,0,0|1,0,1]=4 13119 B14R1.2352 OCCCCNCC1CCCCCC1 34a_100015204231_100011216708 [1,0,0,1,0,0|1,0,1]=4 13120 B14R1.2352 OCCCCOCC1CCCCCC1 34a_100000699130_100011216708 [1,0,0,1,0,0|1,0,1]=4 13121 B14R1.2352 OCCCCOCC1CCCCCC1 7a_100000699130_100000210776 [1,0,0,1,0,0|1,0,1]=4 13122 B14R1.2352 OCCCCSCC1CCCCCC1 62a_100000210776_200000696569 [1,0,0,1,0,0|1,0,1]=4 13123 B14R1.2352 OCCCCSCC1CCCCCC1 62a_200000696569_100000210776 [1,0,0,1,0,0|1,0,1]=4 13124 B14R1.2352 OCCCNCCC1CCCCCC1 2230a_100011532351_100000230001 [1,0,0,1,0,0|1,0,1]=4 13125 B14R1.2352 OCCCNCCC1CCCCCC1 34a_100011532351_100000230001 [1,0,0,1,0,0|1,0,1]=4 13126 B14R1.3128 COCC1CCN1CCCCCC=O 2230a_100015195929_100000139337 [1,0,0,1,0,0|2,0,0]=4 13127 B14R1.3128 COCC1CCN1CCCCCC=O 269982a_100015195929_100000139337 [1,0,0,1,0,0|2,0,0]=4 13128 B14R1.6533 C=CCCCN1CCCCCCCC1 2230a_100000039187_100011713584 [1,0,0,1,0,0|2,0,0]=4 13129 B14R1.6533 C=CCCCN1CCCCCCCC1 269982a_100000039187_100000757094 [1,0,0,1,0,0|2,0,0]=4 13130 B14R1.6533 C=CCCCN1CCCCCCCC1 34a_100000039187_100000757094 [1,0,0,1,0,0|2,0,0]=4 13131 B14R1.6533 C=CCCNC1CCCCCCCC1 270004a_100015191253_100000038600 [1,0,0,1,0,0|2,0,0]=4 13132 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [1,0,0,1,0,0|1,0,0]=3 13133 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [1,0,0,1,0,0|1,0,0]=3 13134 B14R1.6533 OCCCCN1CCCCCCCC1 2230a_100000039187_100000210776 [1,0,0,1,0,0|1,0,1]=4 13135 B14R1.6533 OCCCCN1CCCCCCCC1 269982a_100000039187_100000210776 [1,0,0,1,0,0|1,0,1]=4 13136 B14R1.6533 OCCCCN1CCCCCCCC1 34a_100000039187_100011216708 [1,0,0,1,0,0|1,0,1]=4 13137 B14R1.6533 OCCCNC1CCCCCCCC1 270004a_100000182051_100000038600 [1,0,0,1,0,0|1,0,1]=4 13138 B16R1.262 CCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210757 [0,1,0,1,0,0|1,0,0]=3 13139 B16R1.262 CCCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210757 [0,1,0,1,0,0|2,0,0]=4 13140 B16R1.262 CCCCOCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011995733 [0,1,0,1,0,0|2,0,0]=4 13141 B16R1.262 CCCOCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011215938 [0,1,0,1,0,0|2,0,0]=4 13142 B16R1.262 CCOCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100012232248 [0,1,0,1,0,0|2,0,0]=4 13143 B16R1.262 COCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000730899 [0,1,0,1,0,0|2,0,0]=4 13144 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCF 269956a_100015207179_100000729378 [0,1,0,1,0,0|2,0,0]=4 13145 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCO 269956a_100015207179_100000746330 [0,1,0,1,0,0|2,0,0]=4 13146 B16R1.289 CN1CCCCC1CNCC(O)CC(=O)O 269956a_100011218706_100015185383 [0,1,0,1,0,0|2,0,0]=4 13147 B16R1.393 CN1CCCC1CCNCC(O)CC(=O)O 269956a_100011218706_100000005710 [0,1,0,1,0,0|2,0,0]=4 13148 B16R1.642 CCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100000210320 [0,1,0,1,0,0|1,0,1]=4 13149 B16R1.642 CCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000210320 [0,1,0,1,0,0|1,0,1]=4 13150 B16R1.642 CCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210320 [0,1,0,1,0,0|2,0,0]=4 13151 B16R1.642 CCCCCCCCCNC1CCC(C1)O 270004a_100000212291_100012614533 [0,1,0,1,0,0|1,0,1]=4 13152 B16R1.642 CCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011214924 [0,1,0,1,0,0|2,0,0]=4 13153 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,1,0,1,0,0|1,0,0]=3 13154 B16R1.642 CCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011214924 [0,1,0,1,0,0|1,0,1]=4 13155 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,1,0,1,0,0|1,0,0]=3 13156 B16R1.642 CCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100011214924 [0,1,0,1,0,0|2,0,0]=4 13157 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,1,0,1,0,0|1,0,0]=3 13158 B16R1.642 CCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210759 [0,1,0,1,0,0|2,0,0]=4 13159 B16R1.642 CCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210759 [0,1,0,1,0,0|2,0,0]=4 13160 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 2230a_100000229939_100000181169 [0,1,0,1,0,0|1,0,0]=3 13161 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 34a_100000229939_100000181169 [0,1,0,1,0,0|1,0,0]=3 13162 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [0,1,0,1,0,0|1,0,0]=3 13163 B16R1.642 CCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229939_100015189358 [0,1,0,1,0,0|1,0,0]=3 13164 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210759 [0,1,0,1,0,0|1,0,0]=3 13165 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210759 [0,1,0,1,0,0|1,0,0]=3 13166 B16R1.642 CCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229939_100015307671 [0,1,0,1,0,0|2,0,0]=4 13167 B16R1.642 CCCCCCCCNC[C@H]1COC(=O)N1 34a_100000229939_100015307671 [0,1,0,1,0,0|2,0,0]=4 13168 B16R1.642 CCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210759 [0,1,0,1,0,0|1,0,0]=3 13169 B16R1.642 CCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210759 [0,1,0,1,0,0|2,0,0]=4 13170 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100000210232_100000181169 [0,1,0,1,0,0|1,0,0]=3 13171 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210759 [0,1,0,1,0,0|1,0,0]=3 13172 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 7a_100000210232_100000181169 [0,1,0,1,0,0|1,0,0]=3 13173 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [0,1,0,1,0,0|1,0,0]=3 13174 B16R1.642 CCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210232_100015189358 [0,1,0,1,0,0|1,0,0]=3 13175 B16R1.642 CCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210232_100015307671 [0,1,0,1,0,0|2,0,0]=4 13176 B16R1.642 CCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210232_100015307671 [0,1,0,1,0,0|2,0,0]=4 13177 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210317 [0,1,0,1,0,0|1,0,0]=3 13178 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000210759_100000181169 [0,1,0,1,0,0|1,0,0]=3 13179 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [0,1,0,1,0,0|1,0,0]=3 13180 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [0,1,0,1,0,0|1,0,0]=3 13181 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210759_100015189358 [0,1,0,1,0,0|1,0,0]=3 13182 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210317 [0,1,0,1,0,0|1,0,0]=3 13183 B16R1.642 CCCCCCCCSC[C@H]1COC(=O)N1 62a_100000210759_100015307671 [0,1,0,1,0,0|2,0,0]=4 13184 B16R1.642 CCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210317 [0,1,0,1,0,0|2,0,0]=4 13185 B16R1.642 CCCCCCCOCCC1COS(=O)O1 7a_100000210272_100009840081 [0,1,0,1,0,0|2,0,0]=4 13186 B16R1.642 CCCCCCCSCCC1COS(=O)O1 62a_100000210614_100009840081 [0,1,0,1,0,0|2,0,0]=4 13187 B16R1.642 CCCCCCOCCOC1COC(=O)O1 34a_100000691444_100000032252 [0,1,0,1,0,0|2,0,0]=4 13188 B16R1.642 CCCCCNCCOCC1CNC(=O)O1 34a_100000224656_100000181169 [0,1,0,1,0,0|2,0,0]=4 13189 B16R1.642 CCCCCNCCOCC1COC(=O)O1 34a_100000224656_100000073702 [0,1,0,1,0,0|2,0,0]=4 13190 B16R1.642 CCCCCOCCOCC1CNC(=O)O1 34a_100011215259_100000181169 [0,1,0,1,0,0|2,0,0]=4 13191 B16R1.642 CCCCCOCCOCC1CNC(=O)O1 7a_100011215259_100000181169 [0,1,0,1,0,0|2,0,0]=4 13192 B16R1.642 CCCCCOCCOCC1COC(=O)O1 34a_100011215259_100000073702 [0,1,0,1,0,0|2,0,0]=4 13193 B16R1.642 CCCCCOCCOC[C@@H]1CCC(=O)N1 7a_100011215259_100015189358 [0,1,0,1,0,0|2,0,0]=4 13194 B16R1.642 CCCCNCCCCOC1COC(=O)O1 34a_200011216965_100000032252 [0,1,0,1,0,0|2,0,0]=4 13195 B16R1.642 CCCCOCCCCOC1COC(=O)O1 34a_200000760531_100000032252 [0,1,0,1,0,0|2,0,0]=4 13196 B16R1.642 CCCCOCCCNCC1CNC(=O)O1 2230a_200000211371_100000181169 [0,1,0,1,0,0|2,0,0]=4 13197 B16R1.642 CCCCOCCCNCC1CNC(=O)O1 34a_200000211371_100000181169 [0,1,0,1,0,0|2,0,0]=4 13198 B16R1.642 CCCCOCCCNCC1COC(=O)O1 34a_200000211371_100000073702 [0,1,0,1,0,0|2,0,0]=4 13199 B16R1.642 CCCCOCCCNC[C@@H]1CCC(=O)N1 2230a_200000211371_100015189358 [0,1,0,1,0,0|2,0,0]=4 13200 B16R1.642 CCCCOCCCOCC1CNC(=O)O1 34a_200011215613_100000181169 [0,1,0,1,0,0|2,0,0]=4 13201 B16R1.642 CCCCOCCCOCC1CNC(=O)O1 7a_200011215613_100000181169 [0,1,0,1,0,0|2,0,0]=4 13202 B16R1.642 CCCCOCCCOCC1COC(=O)O1 34a_200011215613_100000073702 [0,1,0,1,0,0|2,0,0]=4 13203 B16R1.642 CCCCOCCCOC[C@@H]1CCC(=O)N1 7a_200011215613_100015189358 [0,1,0,1,0,0|2,0,0]=4 13204 B16R1.642 COCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011998445 [0,1,0,1,0,0|2,0,0]=4 13205 B16R1.642 COCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011998445 [0,1,0,1,0,0|2,0,0]=4 13206 B16R1.642 COCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011998445 [0,1,0,1,0,0|2,0,0]=4 13207 B16R1.642 COCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011998445 [0,1,0,1,0,0|2,0,0]=4 13208 B16R1.642 COCCCCCCOCC1CNC(=O)O1 34a_200012092642_100000181169 [0,1,0,1,0,0|2,0,0]=4 13209 B16R1.642 COCCCCCCOCC1CNC(=O)O1 7a_200012092642_100000181169 [0,1,0,1,0,0|2,0,0]=4 13210 B16R1.642 COCCCCCCOCC1COC(=O)O1 34a_200012092642_100000073702 [0,1,0,1,0,0|2,0,0]=4 13211 B16R1.642 COCCCCCCOC[C@@H]1CCC(=O)N1 7a_200012092642_100015189358 [0,1,0,1,0,0|2,0,0]=4 13212 B16R1.642 COCCCCCCSCC1CNC(=O)O1 62a_100000181169_100011998445 [0,1,0,1,0,0|2,0,0]=4 13213 B16R1.642 COCCCCCCSCC1CNC(=O)O1 62a_100011998445_100000181169 [0,1,0,1,0,0|2,0,0]=4 13214 B16R1.642 COCCCCCCSCC1COC(=O)O1 62a_100000073702_100011998445 [0,1,0,1,0,0|2,0,0]=4 13215 B16R1.642 COCCCCCCSCC1COC(=O)O1 62a_100011998445_100000073702 [0,1,0,1,0,0|2,0,0]=4 13216 B16R1.642 COCCCCCCSC[C@@H]1CCC(=O)N1 62a_100011998445_100015189358 [0,1,0,1,0,0|2,0,0]=4 13217 B16R1.642 COCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011998445 [0,1,0,1,0,0|2,0,0]=4 13218 B16R1.642 NCCCCCCCCOC1COC(=O)O1 34a_102515433106_100000032252 [0,1,0,1,0,0|2,0,0]=4 13219 B16R1.642 NCCCCCCCOCC1CNC(=O)O1 34a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 13220 B16R1.642 NCCCCCCCOCC1COC(=O)O1 34a_100011996573_100000073702 [0,1,0,1,0,0|2,0,0]=4 13221 B16R1.642 O=C1CCC(C1)OCCCCCCCCO 34a_100012614533_100000033203 [0,1,0,1,0,0|2,0,0]=4 13222 B16R1.642 O=C1CCC(N1)COCCCCCCCO 34a_100000737831_100000760002 [0,1,0,1,0,0|2,0,0]=4 13223 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 2230a_100015423886_100000760002 [0,1,0,1,0,0|2,0,0]=4 13224 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 34a_100015423886_100000760002 [0,1,0,1,0,0|2,0,0]=4 13225 B16R1.642 O=C1CC[C@H](N1)CNCCCCCCCO 2230a_100011996573_100015189358 [0,1,0,1,0,0|2,0,0]=4 13226 B16R1.642 O=C1CC[C@H](N1)COCCCCCCCBr 7a_100000760002_100015189358 [0,1,0,1,0,0|2,0,0]=4 13227 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100000760002_100015189358 [0,1,0,1,0,0|2,0,0]=4 13228 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100015189358_100000760002 [0,1,0,1,0,0|2,0,0]=4 13229 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 2230a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 13230 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 34a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 13231 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 34a_100000760002_100000181169 [0,1,0,1,0,0|2,0,0]=4 13232 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 7a_100000760002_100000181169 [0,1,0,1,0,0|2,0,0]=4 13233 B16R1.642 O=C1NCC(O1)COCCCCCCCO 34a_100011315639_100000760002 [0,1,0,1,0,0|2,0,0]=4 13234 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000181169_100000760002 [0,1,0,1,0,0|2,0,0]=4 13235 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000760002_100000181169 [0,1,0,1,0,0|2,0,0]=4 13236 B16R1.642 O=C1OCC(O1)CNCCCCCCCO 34a_100011996573_100000073702 [0,1,0,1,0,0|2,0,0]=4 13237 B16R1.642 O=C1OCC(O1)COCCCCCCCBr 34a_100000760002_100000073702 [0,1,0,1,0,0|2,0,0]=4 13238 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000073702_100000760002 [0,1,0,1,0,0|2,0,0]=4 13239 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000760002_100000073702 [0,1,0,1,0,0|2,0,0]=4 13240 B16R1.642 O=C1OCC(O1)NCCCCCCCCO 34a_102515433106_100000032252 [0,1,0,1,0,0|2,0,0]=4 13241 B16R1.642 O=C1OCC(O1)OCCCCCCCCBr 34a_100009813846_100000032252 [0,1,0,1,0,0|2,0,0]=4 13242 B16R1.642 O=C1OCC(O1)OCCCCCCCCCl 34a_100000033203_100000032252 [0,1,0,1,0,0|2,0,0]=4 13243 B16R1.642 O=C1OCC(O1)SCCCCCCCCO 62a_100000033203_100000032252 [0,1,0,1,0,0|2,0,0]=4 13244 B16R1.5019 CCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210614 [0,1,0,1,0,0|1,0,0]=3 13245 B16R1.5019 CCCCOCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000743108 [0,1,0,1,0,0|2,0,0]=4 13246 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCF 269956a_100000719201_100015922095 [0,1,0,1,0,0|2,0,0]=4 13247 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCO 269956a_100000719201_100000766143 [0,1,0,1,0,0|2,0,0]=4 13248 B16R1.6929 NC(=O)CC(=O)CCCCC1CCCCC1 1458a_200011215547_100000187820 [0,1,0,1,0,0|1,0,1]=4 13249 B16R1.6929 O=C(O)CC(O)CNCCC1CCCCC1 269956a_100011218706_100011273959 [0,1,0,1,0,0|1,0,0]=3 13250 B16R1.6929 O=C(O)CC(O)CNCCC1CCOCC1 269956a_100011218706_100011934994 [0,1,0,1,0,0|2,0,0]=4 13251 B16R1.6929 O=C(O)CC(O)CNCCN1CCCCC1 269956a_100011218706_100000739454 [0,1,0,1,0,0|2,0,0]=4 13252 B16R1.6929 O=C(O)CC(O)CNCOC1CCCCC1 269956a_100011218706_100011935260 [0,1,0,1,0,0|2,0,0]=4 13253 B16R1.6929 O=C([O-])CC(=O)CCCCC1CCCCC1 1458a_200011215547_100020667443 [0,1,0,1,0,0|0,0,2]=4 13254 B16R1.6935 O=C(O)CC(O)CNCCCC1CCCC1 269956a_100011218706_100011713738 [0,1,0,1,0,0|1,0,0]=3 13255 B16R1.6935 O=C(O)CC(O)CNCCCN1CCCC1 269956a_100011218706_100011445909 [0,1,0,1,0,0|2,0,0]=4 13256 B16R1.8383 CCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210759 [0,1,0,1,0,0|1,0,0]=3 13257 B16R1.8383 COCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100011998445 [0,1,0,1,0,0|2,0,0]=4 13258 B16R1.8383 O=C(O)CC1CN(C1)CCCCCCCO 269956a_100016993960_100000760002 [0,1,0,1,0,0|2,0,0]=4 13259 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O 1458a_100000070787_200009990614 [0,1,0,1,0,0|1,0,1]=4 13260 B16R1.12711 CCCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_200000198059 [0,1,0,1,0,0|2,0,0]=4 13261 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100015343762 [0,1,0,1,0,0|1,0,0]=3 13262 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100015343762 [0,1,0,1,0,0|1,0,0]=3 13263 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100015343762 [0,1,0,1,0,0|1,0,0]=3 13264 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100103153847 [0,1,0,1,0,0|1,0,0]=3 13265 B16R1.58444 O=C(O)CC(O)CNCC1CCCCCC1 269956a_100011218706_200000696569 [0,1,0,1,0,0|1,0,0]=3 13266 B16R1.6 CCCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210759 [0,1,0,1,0,0|2,0,0]=4 13267 B16R1.6 CCCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210759 [0,1,0,1,0,0|2,0,0]=4 13268 B16R1.6 CCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210759 [0,1,0,1,0,0|2,0,0]=4 13269 B16R1.6 CCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210759 [0,1,0,1,0,0|2,0,0]=4 13270 B16R1.6 CCCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210759 [0,1,0,1,0,0|2,0,0]=4 13271 B16R1.6 CCCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210614 [0,1,0,1,0,0|2,0,0]=4 13272 B16R1.75 CCCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210314 [0,1,0,1,0,0|2,0,0]=4 13273 B16R1.75 CCCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000210314 [0,1,0,1,0,0|2,0,0]=4 13274 B16R1.273 CCCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210314 [0,1,0,1,0,0|2,0,0]=4 13275 B16R1.273 CCCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210757 [0,1,0,1,0,0|2,0,0]=4 13276 B16R1.273 CCCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000210314 [0,1,0,1,0,0|2,0,0]=4 13277 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210314 [0,1,0,1,0,0|1,0,0]=3 13278 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210757 [0,1,0,1,0,0|1,0,0]=3 13279 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210314 [0,1,0,1,0,0|1,0,0]=3 13280 B16R1.273 CCCCCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210314 [0,1,0,1,0,0|2,0,0]=4 13281 B16R1.273 CCCCCCN1CCOCC1C(=O)OC 34a_100000765174_100000210314 [0,1,0,1,0,0|2,0,0]=4 13282 B16R1.273 CCCCCOC1CCNCC1C(=O)OC 34a_200103168510_100000718602 [0,1,0,1,0,0|2,0,0]=4 13283 B16R1.273 CCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000718602 [0,1,0,1,0,0|1,0,0]=3 13284 B16R1.273 CCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210326 [0,1,0,1,0,0|1,0,0]=3 13285 B16R1.273 CCCCOCN1CCCCC1C(=O)OC 2230a_100000734855_100011995733 [0,1,0,1,0,0|2,0,0]=4 13286 B16R1.273 CCCCOCN1CCCCC1C(=O)OC 269982a_100000734855_100011995733 [0,1,0,1,0,0|2,0,0]=4 13287 B16R1.273 CCCCOCN1CCCCC1C(=O)OC 34a_100000734855_100011995733 [0,1,0,1,0,0|2,0,0]=4 13288 B16R1.273 CCCOCCN1CCCCC1C(=O)OC 2230a_100000734855_100011215938 [0,1,0,1,0,0|2,0,0]=4 13289 B16R1.273 CCCOCCN1CCCCC1C(=O)OC 269982a_100000734855_100011215938 [0,1,0,1,0,0|2,0,0]=4 13290 B16R1.273 CCCOCCN1CCCCC1C(=O)OC 34a_100000734855_100011215938 [0,1,0,1,0,0|2,0,0]=4 13291 B16R1.273 CCOCCCN1CCCCC1C(=O)OC 2230a_100000734855_100012232248 [0,1,0,1,0,0|2,0,0]=4 13292 B16R1.273 CCOCCCN1CCCCC1C(=O)OC 269982a_100000734855_100012232248 [0,1,0,1,0,0|2,0,0]=4 13293 B16R1.273 CCOCCCN1CCCCC1C(=O)OC 34a_100000734855_100012232248 [0,1,0,1,0,0|2,0,0]=4 13294 B16R1.273 CCOCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210147 [0,1,0,1,0,0|2,0,0]=4 13295 B16R1.273 CCOCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100011215890 [0,1,0,1,0,0|2,0,0]=4 13296 B16R1.273 CCSCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000757381 [0,1,0,1,0,0|2,0,0]=4 13297 B16R1.273 CCSCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000757381 [0,1,0,1,0,0|2,0,0]=4 13298 B16R1.273 COC(=O)C1CCCCN1CCCCCF 2230a_100000734855_100000729378 [0,1,0,1,0,0|2,0,0]=4 13299 B16R1.273 COC(=O)C1CCCCN1CCCCCF 269982a_100000734855_100000729378 [0,1,0,1,0,0|2,0,0]=4 13300 B16R1.273 COC(=O)C1CCCCN1CCCCCF 34a_100000734855_100000729378 [0,1,0,1,0,0|2,0,0]=4 13301 B16R1.273 COC(=O)C1CCCCN1CCCCCO 2230a_100000734855_100000746330 [0,1,0,1,0,0|2,0,0]=4 13302 B16R1.273 COC(=O)C1CCCCN1CCCCCO 269982a_100000734855_100000746330 [0,1,0,1,0,0|2,0,0]=4 13303 B16R1.273 COC(=O)C1CCCCN1CCCCCO 34a_100000734855_100000746330 [0,1,0,1,0,0|2,0,0]=4 13304 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCF 34a_100015709673_100000729493 [0,1,0,1,0,0|2,0,0]=4 13305 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCF 7a_100015709673_100000729493 [0,1,0,1,0,0|2,0,0]=4 13306 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCO 34a_100015709673_100011216708 [0,1,0,1,0,0|2,0,0]=4 13307 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCO 7a_100015709673_100000210776 [0,1,0,1,0,0|2,0,0]=4 13308 B16R1.273 COCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000730899 [0,1,0,1,0,0|2,0,0]=4 13309 B16R1.273 COCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000730899 [0,1,0,1,0,0|2,0,0]=4 13310 B16R1.273 COCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000755781 [0,1,0,1,0,0|2,0,0]=4 13311 B16R1.273 COCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000740836 [0,1,0,1,0,0|2,0,0]=4 13312 B16R1.273 COCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000740836 [0,1,0,1,0,0|2,0,0]=4 13313 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210314 [0,1,0,1,0,0|1,0,0]=3 13314 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210757 [0,1,0,1,0,0|1,0,0]=3 13315 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210314 [0,1,0,1,0,0|1,0,0]=3 13316 B16R1.285 CCCCOCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011995733 [0,1,0,1,0,0|2,0,0]=4 13317 B16R1.285 CCCCOCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100011995733 [0,1,0,1,0,0|2,0,0]=4 13318 B16R1.285 CCCCOCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100011995733 [0,1,0,1,0,0|2,0,0]=4 13319 B16R1.285 CCCOCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011215938 [0,1,0,1,0,0|2,0,0]=4 13320 B16R1.285 CCCOCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100011215938 [0,1,0,1,0,0|2,0,0]=4 13321 B16R1.285 CCCOCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100011215938 [0,1,0,1,0,0|2,0,0]=4 13322 B16R1.285 CCOCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100012232248 [0,1,0,1,0,0|2,0,0]=4 13323 B16R1.285 CCOCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100012232248 [0,1,0,1,0,0|2,0,0]=4 13324 B16R1.285 CCOCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100012232248 [0,1,0,1,0,0|2,0,0]=4 13325 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 2230a_100025726698_100000729378 [0,1,0,1,0,0|2,0,0]=4 13326 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 269982a_100025726698_100000729378 [0,1,0,1,0,0|2,0,0]=4 13327 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 34a_100025726698_100000729378 [0,1,0,1,0,0|2,0,0]=4 13328 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 2230a_100025726698_100000746330 [0,1,0,1,0,0|2,0,0]=4 13329 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 269982a_100025726698_100000746330 [0,1,0,1,0,0|2,0,0]=4 13330 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 34a_100025726698_100000746330 [0,1,0,1,0,0|2,0,0]=4 13331 B16R1.285 COCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000730899 [0,1,0,1,0,0|2,0,0]=4 13332 B16R1.285 COCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000730899 [0,1,0,1,0,0|2,0,0]=4 13333 B16R1.285 COCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000755781 [0,1,0,1,0,0|2,0,0]=4 13334 B16R1.300 COCC1CCN1CCCCCC(=O)OC 2230a_100015195929_100009816466 [0,1,0,1,0,0|2,0,0]=4 13335 B16R1.300 COCC1CCN1CCCCCC(=O)OC 269982a_100015195929_100009816466 [0,1,0,1,0,0|2,0,0]=4 13336 B16R1.300 COCC1CCN1CCCCCC(=O)OC 34a_100015195929_100009816466 [0,1,0,1,0,0|2,0,0]=4 13337 B16R1.696 CCCC1CCCCC1NCCC(=O)NC 269862a_100000738227_100011218038 [0,1,0,1,0,0|2,0,0]=4 13338 B16R1.696 CCCC1CCCCC1NCCC(=O)NC 270004a_100000738227_100011218038 [0,1,0,1,0,0|2,0,0]=4 13339 B16R1.696 CCCC1CCCCC1OCCC(=O)NC 34a_100011217265_100012179268 [0,1,0,1,0,0|2,0,0]=4 13340 B16R1.696 CCCC1CCCCC1OCCC(=O)NC 7a_100011217265_100000737683 [0,1,0,1,0,0|2,0,0]=4 13341 B16R1.696 CCCC1CCCCC1OCCC(=O)OC 34a_100011217265_100000742370 [0,1,0,1,0,0|1,0,0]=3 13342 B16R1.696 CCCC1CCCCC1OCCC(=O)OC 7a_100011217265_100000204255 [0,1,0,1,0,0|1,0,0]=3 13343 B16R1.696 CCCC1CCCCN1CCCC(=O)NC 2230a_100000701414_100000741757 [0,1,0,1,0,0|2,0,0]=4 13344 B16R1.696 CCCC1CCCCN1CCCC(=O)NC 269982a_100000701414_100000741757 [0,1,0,1,0,0|2,0,0]=4 13345 B16R1.696 CCCC1CCCCN1CCCC(=O)NC 34a_100000701414_100000741757 [0,1,0,1,0,0|2,0,0]=4 13346 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 2230a_100000701414_100011218270 [0,1,0,1,0,0|1,0,0]=3 13347 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 269982a_100000701414_100011218270 [0,1,0,1,0,0|1,0,0]=3 13348 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 34a_100000701414_100000742333 [0,1,0,1,0,0|1,0,0]=3 13349 B16R1.696 CCCC1COCCN1CCCC(=O)OC 2230a_102495339903_100011218270 [0,1,0,1,0,0|2,0,0]=4 13350 B16R1.696 CCCC1COCCN1CCCC(=O)OC 269982a_102495339903_100011218270 [0,1,0,1,0,0|2,0,0]=4 13351 B16R1.696 CCCC1COCCN1CCCC(=O)OC 34a_102495339903_100000742333 [0,1,0,1,0,0|2,0,0]=4 13352 B16R1.696 COC(=O)CCCN1CCCCC1CCO 2230a_100000211664_100011218270 [0,1,0,1,0,0|2,0,0]=4 13353 B16R1.696 COC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011218270 [0,1,0,1,0,0|2,0,0]=4 13354 B16R1.696 COC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000742333 [0,1,0,1,0,0|2,0,0]=4 13355 B16R1.696 COCC1CCCCN1CCCC(=O)OC 2230a_100015184032_100011218270 [0,1,0,1,0,0|2,0,0]=4 13356 B16R1.696 COCC1CCCCN1CCCC(=O)OC 269982a_100015184032_100011218270 [0,1,0,1,0,0|2,0,0]=4 13357 B16R1.696 COCC1CCCCN1CCCC(=O)OC 34a_100015184032_100000742333 [0,1,0,1,0,0|2,0,0]=4 13358 B16R1.994 COC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000204255 [0,1,0,1,0,0|2,0,0]=4 13359 B16R1.994 COC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000204255 [0,1,0,1,0,0|2,0,0]=4 13360 B16R1.994 COC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000742370 [0,1,0,1,0,0|2,0,0]=4 13361 B16R1.994 COCCC1CCCCN1CCC(=O)OC 2230a_100015186528_100000204255 [0,1,0,1,0,0|2,0,0]=4 13362 B16R1.994 COCCC1CCCCN1CCC(=O)OC 269982a_100015186528_100000204255 [0,1,0,1,0,0|2,0,0]=4 13363 B16R1.994 COCCC1CCCCN1CCC(=O)OC 34a_100015186528_100000742370 [0,1,0,1,0,0|2,0,0]=4 13364 B16R1.1095 CNC(=O)CCCNCCCC1CCCC1 2230a_100000736752_100000741757 [0,1,0,1,0,0|2,0,0]=4 13365 B16R1.1095 CNC(=O)CCCNCCCC1CCCC1 2230a_100000740002_100011713738 [0,1,0,1,0,0|2,0,0]=4 13366 B16R1.1095 CNC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000741757 [0,1,0,1,0,0|2,0,0]=4 13367 B16R1.1095 CNC(=O)CCCNCCCC1CCCC1 34a_100000740002_100011713738 [0,1,0,1,0,0|2,0,0]=4 13368 B16R1.1095 CNC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000741757 [0,1,0,1,0,0|2,0,0]=4 13369 B16R1.1095 CNC(=O)CCCOCCCC1CCCC1 7a_100011215328_100000741757 [0,1,0,1,0,0|2,0,0]=4 13370 B16R1.1095 CNC(=O)CCCSCCCC1CCCC1 62a_100000741757_100011713738 [0,1,0,1,0,0|2,0,0]=4 13371 B16R1.1095 CNC(=O)CCCSCCCC1CCCC1 62a_100011713738_100000741757 [0,1,0,1,0,0|2,0,0]=4 13372 B16R1.1095 COC(=O)CCCCCCCN1CCCC1 2230a_100000188435_100010004213 [0,1,0,1,0,0|1,0,0]=3 13373 B16R1.1095 COC(=O)CCCCCCCN1CCCC1 269982a_100000188435_100010004213 [0,1,0,1,0,0|1,0,0]=3 13374 B16R1.1095 COC(=O)CCCCCCCN1CCSC1 2230a_100011215254_100010004213 [0,1,0,1,0,0|2,0,0]=4 13375 B16R1.1095 COC(=O)CCCCCCCN1CCSC1 269982a_100011215254_100010004213 [0,1,0,1,0,0|2,0,0]=4 13376 B16R1.1095 COC(=O)CCCCCCNC1CCCC1 2230a_100000211070_100009815986 [0,1,0,1,0,0|1,0,0]=3 13377 B16R1.1095 COC(=O)CCCCCCNC1CCCC1 34a_100000211070_100009815986 [0,1,0,1,0,0|1,0,0]=3 13378 B16R1.1095 COC(=O)CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100009815986 [0,1,0,1,0,0|2,0,0]=4 13379 B16R1.1095 COC(=O)CCCCCCN[C@H]1CCOC1 2230a_100015188467_100009815986 [0,1,0,1,0,0|2,0,0]=4 13380 B16R1.1095 COC(=O)CCCCCCN[C@H]1CCOC1 34a_100015188467_100009815986 [0,1,0,1,0,0|2,0,0]=4 13381 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 34a_100000210269_100009815986 [0,1,0,1,0,0|1,0,0]=3 13382 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 34a_100009863599_100000179811 [0,1,0,1,0,0|1,0,0]=3 13383 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 7a_100000210269_100009815986 [0,1,0,1,0,0|1,0,0]=3 13384 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 7a_100009863599_100000179811 [0,1,0,1,0,0|1,0,0]=3 13385 B16R1.1095 COC(=O)CCCCCCOC1CCCO1 34a_100000085407_100009815986 [0,1,0,1,0,0|2,0,0]=4 13386 B16R1.1095 COC(=O)CCCCCCOC1CCOC1 34a_100009863599_100000690089 [0,1,0,1,0,0|2,0,0]=4 13387 B16R1.1095 COC(=O)CCCCCCOC1CCOC1 7a_100009863599_100000731011 [0,1,0,1,0,0|2,0,0]=4 13388 B16R1.1095 COC(=O)CCCCCCOC1CCSC1 7a_100011232664_100009815986 [0,1,0,1,0,0|2,0,0]=4 13389 B16R1.1095 COC(=O)CCCCCCO[C@H]1CCOC1 34a_100000717292_100009815986 [0,1,0,1,0,0|2,0,0]=4 13390 B16R1.1095 COC(=O)CCCCCCSC1CCCC1 62a_100009815986_100000179811 [0,1,0,1,0,0|1,0,0]=3 13391 B16R1.1095 COC(=O)CCCCCCSC1CCCC1 62a_100011217020_100009815986 [0,1,0,1,0,0|1,0,0]=3 13392 B16R1.1095 COC(=O)CCCCCCSC1CCOC1 62a_100009815986_100000690089 [0,1,0,1,0,0|2,0,0]=4 13393 B16R1.1095 COC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009816466 [0,1,0,1,0,0|1,0,0]=3 13394 B16R1.1095 COC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009816466 [0,1,0,1,0,0|1,0,0]=3 13395 B16R1.1095 COC(=O)CCCCCNCC1CCOC1 2230a_100000737293_100009816466 [0,1,0,1,0,0|2,0,0]=4 13396 B16R1.1095 COC(=O)CCCCCNCC1CCOC1 34a_100000737293_100009816466 [0,1,0,1,0,0|2,0,0]=4 13397 B16R1.1095 COC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009816466 [0,1,0,1,0,0|2,0,0]=4 13398 B16R1.1095 COC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009816466 [0,1,0,1,0,0|2,0,0]=4 13399 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 34a_100000074720_100000740388 [0,1,0,1,0,0|1,0,0]=3 13400 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009816466 [0,1,0,1,0,0|1,0,0]=3 13401 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 7a_100000074720_100000740388 [0,1,0,1,0,0|1,0,0]=3 13402 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009816466 [0,1,0,1,0,0|1,0,0]=3 13403 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009816466 [0,1,0,1,0,0|2,0,0]=4 13404 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 7a_100000074720_100000203698 [0,1,0,1,0,0|2,0,0]=4 13405 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009816466 [0,1,0,1,0,0|2,0,0]=4 13406 B16R1.1095 COC(=O)CCCCCOCC1CCNC1 34a_100000748654_100009816466 [0,1,0,1,0,0|2,0,0]=4 13407 B16R1.1095 COC(=O)CCCCCOCC1CCOC1 34a_100000074720_100011261433 [0,1,0,1,0,0|2,0,0]=4 13408 B16R1.1095 COC(=O)CCCCCOCC1CCOC1 34a_100000740260_100009816466 [0,1,0,1,0,0|2,0,0]=4 13409 B16R1.1095 COC(=O)CCCCCOCC1CCOC1 7a_100000074720_100000702531 [0,1,0,1,0,0|2,0,0]=4 13410 B16R1.1095 COC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 13411 B16R1.1095 COC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009816466 [0,1,0,1,0,0|1,0,0]=3 13412 B16R1.1095 COC(=O)CCCCCSCC1CCCC1 62a_100009816466_100000740388 [0,1,0,1,0,0|1,0,0]=3 13413 B16R1.1095 COC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009816466 [0,1,0,1,0,0|2,0,0]=4 13414 B16R1.1095 COC(=O)CCCCCSCC1CCCO1 62a_100009816466_100000203698 [0,1,0,1,0,0|2,0,0]=4 13415 B16R1.1095 COC(=O)CCCCCSCC1CCOC1 62a_100000702531_100009816466 [0,1,0,1,0,0|2,0,0]=4 13416 B16R1.1095 COC(=O)CCCCCSCC1CCOC1 62a_100009816466_100000702531 [0,1,0,1,0,0|2,0,0]=4 13417 B16R1.1095 COC(=O)CCCCNCCC1CCCC1 2230a_100000739158_100000204269 [0,1,0,1,0,0|1,0,0]=3 13418 B16R1.1095 COC(=O)CCCCNCCC1CCCC1 34a_100000739158_100000204269 [0,1,0,1,0,0|1,0,0]=3 13419 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 34a_100000059025_100000760354 [0,1,0,1,0,0|1,0,0]=3 13420 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 34a_100000749090_100000204269 [0,1,0,1,0,0|1,0,0]=3 13421 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 7a_100000059025_100000760354 [0,1,0,1,0,0|1,0,0]=3 13422 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000204269 [0,1,0,1,0,0|1,0,0]=3 13423 B16R1.1095 COC(=O)CCCCOCCC1CCNC1 34a_100016987287_100000204269 [0,1,0,1,0,0|2,0,0]=4 13424 B16R1.1095 COC(=O)CCCCOCCC1CCOC1 34a_100011879284_100000204269 [0,1,0,1,0,0|2,0,0]=4 13425 B16R1.1095 COC(=O)CCCCOCCN1CCCC1 7a_100000059025_100000004467 [0,1,0,1,0,0|2,0,0]=4 13426 B16R1.1095 COC(=O)CCCCSCCC1CCCC1 62a_100000204269_100000760354 [0,1,0,1,0,0|1,0,0]=3 13427 B16R1.1095 COC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000204269 [0,1,0,1,0,0|1,0,0]=3 13428 B16R1.1095 COC(=O)CCCCSCCN1CCCC1 62a_100000204269_100000004467 [0,1,0,1,0,0|2,0,0]=4 13429 B16R1.1095 COC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000204269 [0,1,0,1,0,0|2,0,0]=4 13430 B16R1.1095 COC(=O)CCCNCCCC1CCCC1 2230a_100000736752_100011218270 [0,1,0,1,0,0|1,0,0]=3 13431 B16R1.1095 COC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000742333 [0,1,0,1,0,0|1,0,0]=3 13432 B16R1.1095 COC(=O)CCCNCCOC1CCCC1 34a_100000741755_100000742333 [0,1,0,1,0,0|2,0,0]=4 13433 B16R1.1095 COC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000742333 [0,1,0,1,0,0|1,0,0]=3 13434 B16R1.1095 COC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011218270 [0,1,0,1,0,0|1,0,0]=3 13435 B16R1.1095 COC(=O)CCCOCCNC1CCCC1 34a_200000200444_100000742333 [0,1,0,1,0,0|2,0,0]=4 13436 B16R1.1095 COC(=O)CCCOCCOC1CCCC1 34a_100000738311_100000742333 [0,1,0,1,0,0|2,0,0]=4 13437 B16R1.1095 COC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011218270 [0,1,0,1,0,0|2,0,0]=4 13438 B16R1.1095 COC(=O)CCCSCCCC1CCCC1 62a_100011218270_100011713738 [0,1,0,1,0,0|1,0,0]=3 13439 B16R1.1095 COC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011218270 [0,1,0,1,0,0|1,0,0]=3 13440 B16R1.1095 COC(=O)CCCSCCCN1CCCC1 62a_100011218270_100011445909 [0,1,0,1,0,0|2,0,0]=4 13441 B16R1.1095 COC(=O)CCCSCCCN1CCCC1 62a_100016991639_100011218270 [0,1,0,1,0,0|2,0,0]=4 13442 B16R1.1095 COC(=O)CCNCCCOC1CCCC1 34a_100000747560_100000742370 [0,1,0,1,0,0|2,0,0]=4 13443 B16R1.1095 COC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000090808 [0,1,0,1,0,0|2,0,0]=4 13444 B16R1.1095 COC(=O)COCCNCCC1CCCC1 34a_100000739158_100000090808 [0,1,0,1,0,0|2,0,0]=4 13445 B16R1.1095 COC(=O)COCCOCCC1CCCC1 34a_100000749090_100000090808 [0,1,0,1,0,0|2,0,0]=4 13446 B16R1.1095 COC(=O)COCCOCCC1CCCC1 7a_100000749090_100000090808 [0,1,0,1,0,0|2,0,0]=4 13447 B16R1.1095 COC(=O)COCCSCCC1CCCC1 62a_100000090808_100000760354 [0,1,0,1,0,0|2,0,0]=4 13448 B16R1.1095 COC(=O)COCCSCCC1CCCC1 62a_100000760354_100000090808 [0,1,0,1,0,0|2,0,0]=4 13449 B16R1.1095 COC(=O)NCCOCCCC1CCCC1 34a_100000757965_100011713738 [0,1,0,1,0,0|2,0,0]=4 13450 B16R1.1095 COC(=O)OCCOCCCC1CCCC1 34a_100010262106_100011713738 [0,1,0,1,0,0|2,0,0]=4 13451 B16R1.1095 NNC(=O)CCCOCCCC1CCCC1 34a_100000211488_100011713738 [0,1,0,1,0,0|2,0,0]=4 13452 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 2230a_100000211376_100009816466 [0,1,0,1,0,0|1,0,0]=3 13453 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 269982a_100000211376_100009816466 [0,1,0,1,0,0|1,0,0]=3 13454 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 34a_100000211376_100009816466 [0,1,0,1,0,0|1,0,0]=3 13455 B16R1.1133 COC(=O)CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100009816466 [0,1,0,1,0,0|2,0,0]=4 13456 B16R1.1133 COC(=O)CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100009816466 [0,1,0,1,0,0|2,0,0]=4 13457 B16R1.1133 COC(=O)CCCCCN1CCOC[C@@H]1C 34a_100009815349_100009816466 [0,1,0,1,0,0|2,0,0]=4 13458 B16R1.1133 COC(=O)CCCCNC1CCCCC1C 2230a_100000211402_100000204269 [0,1,0,1,0,0|1,0,0]=3 13459 B16R1.1133 COC(=O)CCCCNC1CCCCC1C 34a_100000211402_100000204269 [0,1,0,1,0,0|1,0,0]=3 13460 B16R1.1133 COC(=O)CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000204269 [0,1,0,1,0,0|2,0,0]=4 13461 B16R1.1133 COC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000204269 [0,1,0,1,0,0|2,0,0]=4 13462 B16R1.1133 COC(=O)CCCCOC1CCCCC1C 34a_100000211207_100000204269 [0,1,0,1,0,0|1,0,0]=3 13463 B16R1.1133 COC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000204269 [0,1,0,1,0,0|1,0,0]=3 13464 B16R1.1133 COC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100000204269 [0,1,0,1,0,0|2,0,0]=4 13465 B16R1.1133 COC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000204269 [0,1,0,1,0,0|2,0,0]=4 13466 B16R1.1133 COC(=O)CCCCOC1CCCCC1F 34a_100000059025_100015423560 [0,1,0,1,0,0|2,0,0]=4 13467 B16R1.1133 COC(=O)CCCCOC1CCCCC1O 34a_100000059025_100000038908 [0,1,0,1,0,0|2,0,0]=4 13468 B16R1.1133 COC(=O)CCCCOC1CCNCC1C 34a_100011998114_100000204269 [0,1,0,1,0,0|2,0,0]=4 13469 B16R1.1133 COC(=O)CCCCOC1CNCCC1C 34a_100000696640_100000204269 [0,1,0,1,0,0|2,0,0]=4 13470 B16R1.1133 COC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000204269 [0,1,0,1,0,0|2,0,0]=4 13471 B16R1.1133 COC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000204269 [0,1,0,1,0,0|2,0,0]=4 13472 B16R1.1133 COC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000204269 [0,1,0,1,0,0|2,0,0]=4 13473 B16R1.1133 COC(=O)CCCCSC1CCCCC1F 62a_100000204269_100015423560 [0,1,0,1,0,0|2,0,0]=4 13474 B16R1.1133 COC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000204269 [0,1,0,1,0,0|2,0,0]=4 13475 B16R1.1133 COC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000204269 [0,1,0,1,0,0|2,0,0]=4 13476 B16R1.1133 COC(=O)CCCCSC1CCCCC1O 62a_100000204269_100000038908 [0,1,0,1,0,0|2,0,0]=4 13477 B16R1.1133 COC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000742333 [0,1,0,1,0,0|2,0,0]=4 13478 B16R1.1133 COC(=O)CCCNCC1CCCCN1C 34a_100011228421_100000742333 [0,1,0,1,0,0|2,0,0]=4 13479 B16R1.1133 COC(=O)CCCOCC1CCCCN1C 34a_100000225079_100000742333 [0,1,0,1,0,0|2,0,0]=4 13480 B16R1.1133 COC(=O)CCCSCC1CCCCN1C 62a_100011218270_100015185383 [0,1,0,1,0,0|2,0,0]=4 13481 B16R1.1133 COC(=O)CCCSCC1CCCCN1C 62a_100015185383_100011218270 [0,1,0,1,0,0|2,0,0]=4 13482 B16R1.1133 COC(=O)CCNCCN1CCCCC1C 2230a_100000739827_100000204255 [0,1,0,1,0,0|2,0,0]=4 13483 B16R1.1133 COC(=O)CCNCCN1CCCCC1C 34a_100000739827_100000742370 [0,1,0,1,0,0|2,0,0]=4 13484 B16R1.1133 COC(=O)CCOCCN1CCCCC1C 34a_100011305533_100000742370 [0,1,0,1,0,0|2,0,0]=4 13485 B16R1.1133 COC(=O)CCSCCC1CCCCN1C 62a_100000204255_100000211948 [0,1,0,1,0,0|2,0,0]=4 13486 B16R1.1133 COC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000204255 [0,1,0,1,0,0|2,0,0]=4 13487 B16R1.1133 COC(=O)CNCCCN1CCCCC1C 34a_100000212276_100000747449 [0,1,0,1,0,0|2,0,0]=4 13488 B16R1.1133 COC(=O)COCCCN1CCCCC1C 34a_100000213889_100000747449 [0,1,0,1,0,0|2,0,0]=4 13489 B16R1.1133 COC(=O)COCCCN1CCCCC1C 7a_100000213889_100000747449 [0,1,0,1,0,0|2,0,0]=4 13490 B16R1.1133 COC(=O)COCCNC1CCCCC1C 2230a_100000211402_100000090808 [0,1,0,1,0,0|2,0,0]=4 13491 B16R1.1133 COC(=O)COCCNC1CCCCC1C 34a_100000211402_100000090808 [0,1,0,1,0,0|2,0,0]=4 13492 B16R1.1133 COC(=O)COCCOC1CCCCC1C 34a_100000211207_100000090808 [0,1,0,1,0,0|2,0,0]=4 13493 B16R1.1133 COC(=O)COCCOC1CCCCC1C 7a_100000211207_100000090808 [0,1,0,1,0,0|2,0,0]=4 13494 B16R1.1166 CCC(=O)COCCCCC1CCCCC1 7a_100011215267_100000747405 [0,1,0,1,0,0|2,0,0]=4 13495 B16R1.1166 CNC(=O)CCCNCCC1CCCCC1 2230a_100000738074_100000741757 [0,1,0,1,0,0|2,0,0]=4 13496 B16R1.1166 CNC(=O)CCCNCCC1CCCCC1 2230a_100000740002_100012355289 [0,1,0,1,0,0|2,0,0]=4 13497 B16R1.1166 CNC(=O)CCCNCCC1CCCCC1 270004a_100000740002_100011713444 [0,1,0,1,0,0|2,0,0]=4 13498 B16R1.1166 CNC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000741757 [0,1,0,1,0,0|2,0,0]=4 13499 B16R1.1166 CNC(=O)CCCNCCC1CCCCC1 34a_100000740002_100011209188 [0,1,0,1,0,0|2,0,0]=4 13500 B16R1.1166 CNC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000741757 [0,1,0,1,0,0|2,0,0]=4 13501 B16R1.1166 CNC(=O)CCCOCCC1CCCCC1 7a_100011217863_100000741757 [0,1,0,1,0,0|2,0,0]=4 13502 B16R1.1166 CNC(=O)CCCSCCC1CCCCC1 62a_100000741757_100012355289 [0,1,0,1,0,0|2,0,0]=4 13503 B16R1.1166 CNC(=O)CCCSCCC1CCCCC1 62a_100012355289_100000741757 [0,1,0,1,0,0|2,0,0]=4 13504 B16R1.1166 CNC(=O)CCNCCCC1CCCCC1 2230a_100000738227_100011713725 [0,1,0,1,0,0|2,0,0]=4 13505 B16R1.1166 CNC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000737683 [0,1,0,1,0,0|2,0,0]=4 13506 B16R1.1166 CNC(=O)CCNCCCC1CCCCC1 34a_100000738227_100011713725 [0,1,0,1,0,0|2,0,0]=4 13507 B16R1.1166 CNC(=O)CCNCCCC1CCCCC1 34a_100011211642_100012179268 [0,1,0,1,0,0|2,0,0]=4 13508 B16R1.1166 CNC(=O)CCOCCCC1CCCCC1 34a_100000198086_100012179268 [0,1,0,1,0,0|2,0,0]=4 13509 B16R1.1166 CNC(=O)CCOCCCC1CCCCC1 34a_100000754576_100011713725 [0,1,0,1,0,0|2,0,0]=4 13510 B16R1.1166 CNC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000737683 [0,1,0,1,0,0|2,0,0]=4 13511 B16R1.1166 CNC(=O)CCSCCCC1CCCCC1 62a_100000737683_100011713725 [0,1,0,1,0,0|2,0,0]=4 13512 B16R1.1166 CNC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000737683 [0,1,0,1,0,0|2,0,0]=4 13513 B16R1.1166 CNC(=O)COCCCCC1CCCCC1 34a_100011215267_100000183359 [0,1,0,1,0,0|2,0,0]=4 13514 B16R1.1166 CNC(=O)COCCCCC1CCCCC1 7a_100011215267_100000183359 [0,1,0,1,0,0|2,0,0]=4 13515 B16R1.1166 COC(=O)CCCCCCN1CCCOC1 2230a_100000131196_100009815986 [0,1,0,1,0,0|2,0,0]=4 13516 B16R1.1166 COC(=O)CCCCCCN1CCCOC1 269982a_100000131196_100009815986 [0,1,0,1,0,0|2,0,0]=4 13517 B16R1.1166 COC(=O)CCCCCCN1CCCOC1 34a_100000131196_100009815986 [0,1,0,1,0,0|2,0,0]=4 13518 B16R1.1166 COC(=O)CCCCCCN1CCOCC1 2230a_100015191051_100009815986 [0,1,0,1,0,0|2,0,0]=4 13519 B16R1.1166 COC(=O)CCCCCCN1CCOCC1 269982a_100015191051_100009815986 [0,1,0,1,0,0|2,0,0]=4 13520 B16R1.1166 COC(=O)CCCCCCN1CCOCC1 34a_100015191051_100009815986 [0,1,0,1,0,0|2,0,0]=4 13521 B16R1.1166 COC(=O)CCCCCCN1CCSCC1 2230a_100000737611_100009815986 [0,1,0,1,0,0|2,0,0]=4 13522 B16R1.1166 COC(=O)CCCCCCN1CCSCC1 269982a_100000737611_100009815986 [0,1,0,1,0,0|2,0,0]=4 13523 B16R1.1166 COC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009816466 [0,1,0,1,0,0|1,0,0]=3 13524 B16R1.1166 COC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009816466 [0,1,0,1,0,0|1,0,0]=3 13525 B16R1.1166 COC(=O)CCCCCNC1CCCOC1 2230a_100000719290_100009816466 [0,1,0,1,0,0|2,0,0]=4 13526 B16R1.1166 COC(=O)CCCCCNC1CCCOC1 34a_100000719290_100009816466 [0,1,0,1,0,0|2,0,0]=4 13527 B16R1.1166 COC(=O)CCCCCNC1CCOCC1 2230a_100000741149_100009816466 [0,1,0,1,0,0|2,0,0]=4 13528 B16R1.1166 COC(=O)CCCCCNC1CCOCC1 34a_100000741149_100009816466 [0,1,0,1,0,0|2,0,0]=4 13529 B16R1.1166 COC(=O)CCCCCNC1CCSCC1 2230a_100000748639_100009816466 [0,1,0,1,0,0|2,0,0]=4 13530 B16R1.1166 COC(=O)CCCCCNC1CCSCC1 34a_100000748639_100009816466 [0,1,0,1,0,0|2,0,0]=4 13531 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 34a_100000074720_100000210327 [0,1,0,1,0,0|1,0,0]=3 13532 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009816466 [0,1,0,1,0,0|1,0,0]=3 13533 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 7a_100000074720_100000210327 [0,1,0,1,0,0|1,0,0]=3 13534 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009816466 [0,1,0,1,0,0|1,0,0]=3 13535 B16R1.1166 COC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009816466 [0,1,0,1,0,0|2,0,0]=4 13536 B16R1.1166 COC(=O)CCCCCOC1CCCOC1 34a_100000074720_100000693364 [0,1,0,1,0,0|2,0,0]=4 13537 B16R1.1166 COC(=O)CCCCCOC1CCCOC1 34a_100000754041_100009816466 [0,1,0,1,0,0|2,0,0]=4 13538 B16R1.1166 COC(=O)CCCCCOC1CCCOC1 7a_100000074720_100000693364 [0,1,0,1,0,0|2,0,0]=4 13539 B16R1.1166 COC(=O)CCCCCOC1CCCSC1 7a_100015962668_100009816466 [0,1,0,1,0,0|2,0,0]=4 13540 B16R1.1166 COC(=O)CCCCCOC1CCOCC1 34a_100000744328_100009816466 [0,1,0,1,0,0|2,0,0]=4 13541 B16R1.1166 COC(=O)CCCCCOC1CCOCC1 7a_100000074720_100000686592 [0,1,0,1,0,0|2,0,0]=4 13542 B16R1.1166 COC(=O)CCCCCOC1CCSCC1 34a_100000074720_100000069128 [0,1,0,1,0,0|2,0,0]=4 13543 B16R1.1166 COC(=O)CCCCCOC1CCSCC1 34a_100000731022_100009816466 [0,1,0,1,0,0|2,0,0]=4 13544 B16R1.1166 COC(=O)CCCCCOC1CCSCC1 7a_100000074720_100011500858 [0,1,0,1,0,0|2,0,0]=4 13545 B16R1.1166 COC(=O)CCCCCOC1CCSCC1 7a_100000731022_100009816466 [0,1,0,1,0,0|2,0,0]=4 13546 B16R1.1166 COC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009816466 [0,1,0,1,0,0|1,0,0]=3 13547 B16R1.1166 COC(=O)CCCCCSC1CCCCC1 62a_100009816466_100000210327 [0,1,0,1,0,0|1,0,0]=3 13548 B16R1.1166 COC(=O)CCCCCSC1CCCOC1 62a_100009816466_100000693364 [0,1,0,1,0,0|2,0,0]=4 13549 B16R1.1166 COC(=O)CCCCCSC1CCOCC1 62a_100009816466_100011324220 [0,1,0,1,0,0|2,0,0]=4 13550 B16R1.1166 COC(=O)CCCCCSC1CCSCC1 62a_100009816466_100000069128 [0,1,0,1,0,0|2,0,0]=4 13551 B16R1.1166 COC(=O)CCCCNCC1CCCCC1 2230a_100000210473_100000204269 [0,1,0,1,0,0|1,0,0]=3 13552 B16R1.1166 COC(=O)CCCCNCC1CCCCC1 34a_100000210473_100000204269 [0,1,0,1,0,0|1,0,0]=3 13553 B16R1.1166 COC(=O)CCCCNCC1CCCCO1 2230a_100000174945_100000204269 [0,1,0,1,0,0|2,0,0]=4 13554 B16R1.1166 COC(=O)CCCCNCC1CCCCO1 34a_100000174945_100000204269 [0,1,0,1,0,0|2,0,0]=4 13555 B16R1.1166 COC(=O)CCCCNCC1CCCOC1 2230a_100000720124_100000204269 [0,1,0,1,0,0|2,0,0]=4 13556 B16R1.1166 COC(=O)CCCCNCC1CCCOC1 34a_100000720124_100000204269 [0,1,0,1,0,0|2,0,0]=4 13557 B16R1.1166 COC(=O)CCCCNCC1CCOCC1 2230a_100000746373_100000204269 [0,1,0,1,0,0|2,0,0]=4 13558 B16R1.1166 COC(=O)CCCCNCC1CCOCC1 34a_100000746373_100000204269 [0,1,0,1,0,0|2,0,0]=4 13559 B16R1.1166 COC(=O)CCCCNCC1CCSCC1 2230a_100015188806_100000204269 [0,1,0,1,0,0|2,0,0]=4 13560 B16R1.1166 COC(=O)CCCCNCC1CCSCC1 34a_100015188806_100000204269 [0,1,0,1,0,0|2,0,0]=4 13561 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 34a_100000059025_100000211423 [0,1,0,1,0,0|1,0,0]=3 13562 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 34a_100000212181_100000204269 [0,1,0,1,0,0|1,0,0]=3 13563 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 7a_100000059025_100000211423 [0,1,0,1,0,0|1,0,0]=3 13564 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000204269 [0,1,0,1,0,0|1,0,0]=3 13565 B16R1.1166 COC(=O)CCCCOCC1CCCCN1 34a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 13566 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 34a_100000059025_100000211543 [0,1,0,1,0,0|2,0,0]=4 13567 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 34a_100000211370_100000204269 [0,1,0,1,0,0|2,0,0]=4 13568 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 7a_100000059025_100000211543 [0,1,0,1,0,0|2,0,0]=4 13569 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000204269 [0,1,0,1,0,0|2,0,0]=4 13570 B16R1.1166 COC(=O)CCCCOCC1CCCNC1 34a_100000211344_100000204269 [0,1,0,1,0,0|2,0,0]=4 13571 B16R1.1166 COC(=O)CCCCOCC1CCCOC1 34a_100000059025_100000741521 [0,1,0,1,0,0|2,0,0]=4 13572 B16R1.1166 COC(=O)CCCCOCC1CCCOC1 34a_100000741520_100000204269 [0,1,0,1,0,0|2,0,0]=4 13573 B16R1.1166 COC(=O)CCCCOCC1CCCOC1 7a_100000059025_100000741521 [0,1,0,1,0,0|2,0,0]=4 13574 B16R1.1166 COC(=O)CCCCOCC1CCNCC1 34a_100000738675_100000204269 [0,1,0,1,0,0|2,0,0]=4 13575 B16R1.1166 COC(=O)CCCCOCC1CCOCC1 34a_100000059025_100000754603 [0,1,0,1,0,0|2,0,0]=4 13576 B16R1.1166 COC(=O)CCCCOCC1CCOCC1 34a_100000749013_100000204269 [0,1,0,1,0,0|2,0,0]=4 13577 B16R1.1166 COC(=O)CCCCOCC1CCOCC1 7a_100000059025_100000754603 [0,1,0,1,0,0|2,0,0]=4 13578 B16R1.1166 COC(=O)CCCCOCC1CCSCC1 34a_100000070558_100000204269 [0,1,0,1,0,0|2,0,0]=4 13579 B16R1.1166 COC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000204269 [0,1,0,1,0,0|2,0,0]=4 13580 B16R1.1166 COC(=O)CCCCSCC1CCCCC1 62a_100000204269_100000211423 [0,1,0,1,0,0|1,0,0]=3 13581 B16R1.1166 COC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000204269 [0,1,0,1,0,0|1,0,0]=3 13582 B16R1.1166 COC(=O)CCCCSCC1CCCCO1 62a_100000204269_100000211543 [0,1,0,1,0,0|2,0,0]=4 13583 B16R1.1166 COC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000204269 [0,1,0,1,0,0|2,0,0]=4 13584 B16R1.1166 COC(=O)CCCCSCC1CCCOC1 62a_100000204269_100000741521 [0,1,0,1,0,0|2,0,0]=4 13585 B16R1.1166 COC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000204269 [0,1,0,1,0,0|2,0,0]=4 13586 B16R1.1166 COC(=O)CCCCSCC1CCOCC1 62a_100000204269_100000749018 [0,1,0,1,0,0|2,0,0]=4 13587 B16R1.1166 COC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000204269 [0,1,0,1,0,0|2,0,0]=4 13588 B16R1.1166 COC(=O)CCCNCCC1CCCCC1 2230a_100000738074_100011218270 [0,1,0,1,0,0|1,0,0]=3 13589 B16R1.1166 COC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000742333 [0,1,0,1,0,0|1,0,0]=3 13590 B16R1.1166 COC(=O)CCCNCCC1CCCCO1 2230a_100015183643_100011218270 [0,1,0,1,0,0|2,0,0]=4 13591 B16R1.1166 COC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000742333 [0,1,0,1,0,0|2,0,0]=4 13592 B16R1.1166 COC(=O)CCCNCCC1CCOCC1 2230a_100000755988_100011218270 [0,1,0,1,0,0|2,0,0]=4 13593 B16R1.1166 COC(=O)CCCNCCC1CCOCC1 34a_100000755988_100000742333 [0,1,0,1,0,0|2,0,0]=4 13594 B16R1.1166 COC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000742333 [0,1,0,1,0,0|1,0,0]=3 13595 B16R1.1166 COC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011218270 [0,1,0,1,0,0|1,0,0]=3 13596 B16R1.1166 COC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000742333 [0,1,0,1,0,0|2,0,0]=4 13597 B16R1.1166 COC(=O)CCCOCCC1CCCNC1 34a_100000752241_100000742333 [0,1,0,1,0,0|2,0,0]=4 13598 B16R1.1166 COC(=O)CCCOCCC1CCNCC1 34a_100015190746_100000742333 [0,1,0,1,0,0|2,0,0]=4 13599 B16R1.1166 COC(=O)CCCOCCC1CCOCC1 34a_100011933979_100000742333 [0,1,0,1,0,0|2,0,0]=4 13600 B16R1.1166 COC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011218270 [0,1,0,1,0,0|2,0,0]=4 13601 B16R1.1166 COC(=O)CCCSCCC1CCCCC1 62a_100011218270_100012355289 [0,1,0,1,0,0|1,0,0]=3 13602 B16R1.1166 COC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011218270 [0,1,0,1,0,0|1,0,0]=3 13603 B16R1.1166 COC(=O)CCCSCCC1CCOCC1 62a_100011218270_100011934994 [0,1,0,1,0,0|2,0,0]=4 13604 B16R1.1166 COC(=O)CCCSCCC1CCOCC1 62a_100011934994_100011218270 [0,1,0,1,0,0|2,0,0]=4 13605 B16R1.1166 COC(=O)CCCSCCN1CCCCC1 62a_100000739454_100011218270 [0,1,0,1,0,0|2,0,0]=4 13606 B16R1.1166 COC(=O)CCCSCCN1CCCCC1 62a_100011218270_100000739454 [0,1,0,1,0,0|2,0,0]=4 13607 B16R1.1166 COC(=O)CCCSCOC1CCCCC1 62a_100011218270_100011935260 [0,1,0,1,0,0|2,0,0]=4 13608 B16R1.1166 COC(=O)CCCSCOC1CCCCC1 62a_100011935260_100011218270 [0,1,0,1,0,0|2,0,0]=4 13609 B16R1.1166 COC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000204255 [0,1,0,1,0,0|1,0,0]=3 13610 B16R1.1166 COC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000742370 [0,1,0,1,0,0|1,0,0]=3 13611 B16R1.1166 COC(=O)CCNCCOC1CCCCC1 34a_100015206981_100000742370 [0,1,0,1,0,0|2,0,0]=4 13612 B16R1.1166 COC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000742370 [0,1,0,1,0,0|1,0,0]=3 13613 B16R1.1166 COC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000204255 [0,1,0,1,0,0|1,0,0]=3 13614 B16R1.1166 COC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000742370 [0,1,0,1,0,0|2,0,0]=4 13615 B16R1.1166 COC(=O)CCOCCCC1CCCNC1 34a_100150707839_100000742370 [0,1,0,1,0,0|2,0,0]=4 13616 B16R1.1166 COC(=O)CCOCCCC1CCNCC1 34a_100016988962_100000742370 [0,1,0,1,0,0|2,0,0]=4 13617 B16R1.1166 COC(=O)CCOCCCN1CCCCC1 34a_100000212458_100000742370 [0,1,0,1,0,0|2,0,0]=4 13618 B16R1.1166 COC(=O)CCOCCNC1CCCCC1 34a_100000200466_100000742370 [0,1,0,1,0,0|2,0,0]=4 13619 B16R1.1166 COC(=O)CCOCCOC1CCCCC1 34a_100011249652_100000742370 [0,1,0,1,0,0|2,0,0]=4 13620 B16R1.1166 COC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000204255 [0,1,0,1,0,0|2,0,0]=4 13621 B16R1.1166 COC(=O)CCSCCCC1CCCCC1 62a_100000204255_100011713725 [0,1,0,1,0,0|1,0,0]=3 13622 B16R1.1166 COC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000204255 [0,1,0,1,0,0|1,0,0]=3 13623 B16R1.1166 COC(=O)CCSCCCN1CCCCC1 62a_100000204255_100000007876 [0,1,0,1,0,0|2,0,0]=4 13624 B16R1.1166 COC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000204255 [0,1,0,1,0,0|2,0,0]=4 13625 B16R1.1166 COC(=O)CCSCCOC1CCCCC1 62a_100000204255_100011211530 [0,1,0,1,0,0|2,0,0]=4 13626 B16R1.1166 COC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000204255 [0,1,0,1,0,0|2,0,0]=4 13627 B16R1.1166 COC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000747449 [0,1,0,1,0,0|2,0,0]=4 13628 B16R1.1166 COC(=O)COCCCCC1CCCCC1 34a_100011215267_100000747449 [0,1,0,1,0,0|1,0,0]=3 13629 B16R1.1166 COC(=O)COCCCCC1CCCCC1 7a_100011215267_100000747449 [0,1,0,1,0,0|1,0,0]=3 13630 B16R1.1166 COC(=O)COCCCCC1CCNCC1 34a_100016989291_100000747449 [0,1,0,1,0,0|2,0,0]=4 13631 B16R1.1166 COC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000090808 [0,1,0,1,0,0|2,0,0]=4 13632 B16R1.1166 COC(=O)COCCNCC1CCCCC1 34a_100000210473_100000090808 [0,1,0,1,0,0|2,0,0]=4 13633 B16R1.1166 COC(=O)COCCOCC1CCCCC1 34a_100000212181_100000090808 [0,1,0,1,0,0|2,0,0]=4 13634 B16R1.1166 COC(=O)COCCOCC1CCCCC1 7a_100000212181_100000090808 [0,1,0,1,0,0|2,0,0]=4 13635 B16R1.1166 COC(=O)COCCSCC1CCCCC1 62a_100000090808_100000211423 [0,1,0,1,0,0|2,0,0]=4 13636 B16R1.1166 COC(=O)COCCSCC1CCCCC1 62a_100000211423_100000090808 [0,1,0,1,0,0|2,0,0]=4 13637 B16R1.1166 COC(=O)NCCOCCC1CCCCC1 34a_100000757965_100011209188 [0,1,0,1,0,0|2,0,0]=4 13638 B16R1.1166 COC(=O)OCCOCCC1CCCCC1 34a_100010262106_100011209188 [0,1,0,1,0,0|2,0,0]=4 13639 B16R1.1166 COC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000139417 [0,1,0,1,0,0|2,0,0]=4 13640 B16R1.1166 NC(=NO)CCOCCCC1CCCCC1 34a_100000749954_100011713725 [0,1,0,1,0,0|2,0,0]=4 13641 B16R1.1166 NNC(=O)CCCOCCC1CCCCC1 34a_100000211488_100011209188 [0,1,0,1,0,0|2,0,0]=4 13642 B16R1.1166 O=C(CO)NCCCCCN1CCCCC1 240690a_100000754421_100000210174 [0,1,0,1,0,0|2,0,0]=4 13643 B16R1.1166 O=C(CO)NCCCCCN1CCCCC1 527a_100000754421_100000210174 [0,1,0,1,0,0|2,0,0]=4 13644 B16R1.1271 CCCCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000750825 [0,1,0,1,0,0|2,0,0]=4 13645 B16R1.1271 CCCCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000750825 [0,1,0,1,0,0|2,0,0]=4 13646 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 2230a_100000754278_100009816466 [0,1,0,1,0,0|1,0,0]=3 13647 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 269982a_100000754278_100009816466 [0,1,0,1,0,0|1,0,0]=3 13648 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 34a_100000754278_100009816466 [0,1,0,1,0,0|1,0,0]=3 13649 B16R1.1353 CCN1CCCC1CNCCCC(=O)OC 2230a_100000211693_100011218270 [0,1,0,1,0,0|2,0,0]=4 13650 B16R1.1353 CCN1CCC[C@@H]1COCCCC(=O)OC 34a_100011739246_100000742333 [0,1,0,1,0,0|2,0,0]=4 13651 B16R1.1353 CCN1CCC[C@@H]1COCCCC(=O)OC 7a_100011739246_100011218270 [0,1,0,1,0,0|2,0,0]=4 13652 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 13653 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 13654 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 13655 B16R1.1426 CCCCCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210326 [0,1,0,1,0,0|2,0,0]=4 13656 B16R1.1426 CCCCCN1CCOCC1CC(=O)OC 34a_100000731486_100000718602 [0,1,0,1,0,0|2,0,0]=4 13657 B16R1.1426 COCCCC1CCCCN1CC(=O)OC 2230a_100011804088_100000747449 [0,1,0,1,0,0|2,0,0]=4 13658 B16R1.1426 COCCCC1CCCCN1CC(=O)OC 269982a_100011804088_100000747449 [0,1,0,1,0,0|2,0,0]=4 13659 B16R1.1426 COCCCC1CCCCN1CC(=O)OC 34a_100011804088_100000747449 [0,1,0,1,0,0|2,0,0]=4 13660 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100010004213 [0,1,0,1,0,0|2,0,0]=4 13661 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100010004213 [0,1,0,1,0,0|2,0,0]=4 13662 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100010004213 [0,1,0,1,0,0|2,0,0]=4 13663 B16R1.3257 COC(=O)CCCCCCOCC1CC1C 34a_100000744939_100009815986 [0,1,0,1,0,0|1,0,0]=3 13664 B16R1.3257 COC(=O)CCCCCCOCC1CC1C 7a_100000744939_100009815986 [0,1,0,1,0,0|1,0,0]=3 13665 B16R1.3258 COC(=O)CCCCCCCCN1CCC1 269982a_100000754969_100010282707 [0,1,0,1,0,0|1,0,0]=3 13666 B16R1.3258 COC(=O)CCCCCCCNC1CCC1 2230a_100000749019_100010004213 [0,1,0,1,0,0|1,0,0]=3 13667 B16R1.3258 COC(=O)CCCCCCCNC1CCC1 34a_100000749019_100010004213 [0,1,0,1,0,0|1,0,0]=3 13668 B16R1.3258 COC(=O)CCCCCCCNC1COC1 2230a_100016991112_100010004213 [0,1,0,1,0,0|2,0,0]=4 13669 B16R1.3258 COC(=O)CCCCCCCOC1CCC1 34a_100000748187_100010004213 [0,1,0,1,0,0|1,0,0]=3 13670 B16R1.3258 COC(=O)CCCCCCCOC1CCC1 34a_100011022521_100000749161 [0,1,0,1,0,0|1,0,0]=3 13671 B16R1.3258 COC(=O)CCCCCCCOC1COC1 34a_100011022521_100009818527 [0,1,0,1,0,0|2,0,0]=4 13672 B16R1.3258 COC(=O)CCCCCCCOC1COC1 7a_100011022521_100009818527 [0,1,0,1,0,0|2,0,0]=4 13673 B16R1.3258 COC(=O)CCCCCCCOC1CSC1 7a_100000072292_100010004213 [0,1,0,1,0,0|2,0,0]=4 13674 B16R1.3258 COC(=O)CCCCCCCSC1CCC1 62a_100010004213_100000749161 [0,1,0,1,0,0|1,0,0]=3 13675 B16R1.3258 COC(=O)CCCCCCCSC1COC1 62a_100010004213_100009818527 [0,1,0,1,0,0|2,0,0]=4 13676 B16R1.3258 COC(=O)CCCCCCNCC1CCC1 2230a_100000738700_100009815986 [0,1,0,1,0,0|1,0,0]=3 13677 B16R1.3258 COC(=O)CCCCCCNCC1CCC1 34a_100000738700_100009815986 [0,1,0,1,0,0|1,0,0]=3 13678 B16R1.3258 COC(=O)CCCCCCNCC1COC1 2230a_100015281925_100009815986 [0,1,0,1,0,0|2,0,0]=4 13679 B16R1.3258 COC(=O)CCCCCCNCC1COC1 34a_100015281925_100009815986 [0,1,0,1,0,0|2,0,0]=4 13680 B16R1.3258 COC(=O)CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009815986 [0,1,0,1,0,0|2,0,0]=4 13681 B16R1.3258 COC(=O)CCCCCCNC[C@@H]1CCO1 34a_100020831831_100009815986 [0,1,0,1,0,0|2,0,0]=4 13682 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 34a_100000760304_100009815986 [0,1,0,1,0,0|1,0,0]=3 13683 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 34a_100009863599_100000763275 [0,1,0,1,0,0|1,0,0]=3 13684 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 7a_100009863599_100000763275 [0,1,0,1,0,0|1,0,0]=3 13685 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 34a_100000039022_100009815986 [0,1,0,1,0,0|2,0,0]=4 13686 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 34a_100009863599_100000103362 [0,1,0,1,0,0|2,0,0]=4 13687 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 7a_100009863599_100000103362 [0,1,0,1,0,0|2,0,0]=4 13688 B16R1.3258 COC(=O)CCCCCCOCC1CNC1 34a_100016987283_100009815986 [0,1,0,1,0,0|2,0,0]=4 13689 B16R1.3258 COC(=O)CCCCCCOCC1COC1 34a_100000060846_100009815986 [0,1,0,1,0,0|2,0,0]=4 13690 B16R1.3258 COC(=O)CCCCCCOCC1COC1 34a_100009863599_100010264016 [0,1,0,1,0,0|2,0,0]=4 13691 B16R1.3258 COC(=O)CCCCCCOCC1COC1 7a_100009863599_100010264016 [0,1,0,1,0,0|2,0,0]=4 13692 B16R1.3258 COC(=O)CCCCCCSCC1CCC1 62a_100000763275_100009815986 [0,1,0,1,0,0|1,0,0]=3 13693 B16R1.3258 COC(=O)CCCCCCSCC1CCC1 62a_100009815986_100000763275 [0,1,0,1,0,0|1,0,0]=3 13694 B16R1.3258 COC(=O)CCCCCCSCC1CCO1 62a_100000103362_100009815986 [0,1,0,1,0,0|2,0,0]=4 13695 B16R1.3258 COC(=O)CCCCCCSCC1CCO1 62a_100009815986_100000103362 [0,1,0,1,0,0|2,0,0]=4 13696 B16R1.3258 COC(=O)CCCCCCSCC1COC1 62a_100009815986_100010264016 [0,1,0,1,0,0|2,0,0]=4 13697 B16R1.3258 COC(=O)CCCCCCSCC1COC1 62a_100010264016_100009815986 [0,1,0,1,0,0|2,0,0]=4 13698 B16R1.3258 COC(=O)CCCCCOCCC1COC1 34a_100009855314_100009816466 [0,1,0,1,0,0|2,0,0]=4 13699 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210681 [0,1,0,1,0,0|2,0,0]=4 13700 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210681 [0,1,0,1,0,0|2,0,0]=4 13701 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210614 [0,1,0,1,0,0|2,0,0]=4 13702 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210681 [0,1,0,1,0,0|1,0,0]=3 13703 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210681 [0,1,0,1,0,0|1,0,0]=3 13704 B16R1.3907 CCCCCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210681 [0,1,0,1,0,0|2,0,0]=4 13705 B16R1.3907 CCCCCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210681 [0,1,0,1,0,0|2,0,0]=4 13706 B16R1.3907 CCCCCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210681 [0,1,0,1,0,0|2,0,0]=4 13707 B16R1.3907 CCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210314 [0,1,0,1,0,0|1,0,0]=3 13708 B16R1.3907 CCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210314 [0,1,0,1,0,0|1,0,0]=3 13709 B16R1.3907 CCCCOCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000743108 [0,1,0,1,0,0|2,0,0]=4 13710 B16R1.3907 CCCCOCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000743108 [0,1,0,1,0,0|2,0,0]=4 13711 B16R1.3907 CCCCOCOC1CCCC1C(=O)OC 34a_200000081814_100011995733 [0,1,0,1,0,0|2,0,0]=4 13712 B16R1.3907 CCCOCCOC1CCCC1C(=O)OC 34a_200000081814_100011215938 [0,1,0,1,0,0|2,0,0]=4 13713 B16R1.3907 CCCOCCOC1CCCC1C(=O)OC 7a_200000081814_100011215938 [0,1,0,1,0,0|2,0,0]=4 13714 B16R1.3907 CCOCCCOC1CCCC1C(=O)OC 34a_200000081814_100012232248 [0,1,0,1,0,0|2,0,0]=4 13715 B16R1.3907 CCOCCCOC1CCCC1C(=O)OC 7a_200000081814_100012232248 [0,1,0,1,0,0|2,0,0]=4 13716 B16R1.3907 COC(=O)C1CCCC1OCCCCCF 34a_200000081814_100000729378 [0,1,0,1,0,0|2,0,0]=4 13717 B16R1.3907 COC(=O)C1CCCC1OCCCCCF 7a_200000081814_100000729378 [0,1,0,1,0,0|2,0,0]=4 13718 B16R1.3907 COC(=O)C1CCCC1OCCCCCO 34a_200000081814_100000746330 [0,1,0,1,0,0|2,0,0]=4 13719 B16R1.3907 COC(=O)C1CCCC1OCCCCCO 7a_200000081814_100000746330 [0,1,0,1,0,0|2,0,0]=4 13720 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000752040_100015922095 [0,1,0,1,0,0|2,0,0]=4 13721 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCF 269982a_100000752040_100015922095 [0,1,0,1,0,0|2,0,0]=4 13722 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000752040_100000766143 [0,1,0,1,0,0|2,0,0]=4 13723 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCO 269982a_100000752040_100000766143 [0,1,0,1,0,0|2,0,0]=4 13724 B16R1.3907 COCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000755781 [0,1,0,1,0,0|2,0,0]=4 13725 B16R1.3907 COCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000730899 [0,1,0,1,0,0|2,0,0]=4 13726 B16R1.3910 CCC1CCCCC1NCCCC(=O)NC 269862a_100000740002_100000757040 [0,1,0,1,0,0|2,0,0]=4 13727 B16R1.3910 CCC1CCCCC1NCCCC(=O)NC 270004a_100000740002_100000757040 [0,1,0,1,0,0|2,0,0]=4 13728 B16R1.3910 CCC1CCCCC1OCCCC(=O)NC 34a_100000210738_100000741757 [0,1,0,1,0,0|2,0,0]=4 13729 B16R1.3910 CCC1CCCCC1OCCCC(=O)NC 7a_100000210738_100000741757 [0,1,0,1,0,0|2,0,0]=4 13730 B16R1.3910 CCC1CCCCC1OCCCC(=O)OC 34a_100000210738_100000742333 [0,1,0,1,0,0|1,0,0]=3 13731 B16R1.3910 CCC1CCCCC1OCCCC(=O)OC 7a_100000210738_100011218270 [0,1,0,1,0,0|1,0,0]=3 13732 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 2230a_100000210034_100000204269 [0,1,0,1,0,0|1,0,0]=3 13733 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 269982a_100000210034_100000204269 [0,1,0,1,0,0|1,0,0]=3 13734 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 34a_100000210034_100000204269 [0,1,0,1,0,0|1,0,0]=3 13735 B16R1.3910 CCC1CCCCN1CCCNC(=O)CO 240690a_100011191702_100000210174 [0,1,0,1,0,0|2,0,0]=4 13736 B16R1.3910 CCC1CCCCN1CCCNC(=O)CO 527a_100011191702_100000210174 [0,1,0,1,0,0|2,0,0]=4 13737 B16R1.3910 CCC1CCCCN1CCNCC(=O)OC 2230a_100000755458_100000747449 [0,1,0,1,0,0|2,0,0]=4 13738 B16R1.3910 CCC1CCCCN1CCNCC(=O)OC 34a_100000755458_100000747449 [0,1,0,1,0,0|2,0,0]=4 13739 B16R1.3910 CCC1CCCCN1CCOCC(=O)OC 2230a_100000210034_100000090808 [0,1,0,1,0,0|2,0,0]=4 13740 B16R1.3910 CCC1CCCCN1CCOCC(=O)OC 34a_100000210034_100000090808 [0,1,0,1,0,0|2,0,0]=4 13741 B16R1.3910 CCN1CCCCC1CNCCC(=O)OC 2230a_100000754393_100000204255 [0,1,0,1,0,0|2,0,0]=4 13742 B16R1.3910 CCN1CCCCC1CNCCC(=O)OC 34a_100000754393_100000742370 [0,1,0,1,0,0|2,0,0]=4 13743 B16R1.3910 CCN1CCCCC1COCCC(=O)OC 34a_100000225091_100000742370 [0,1,0,1,0,0|2,0,0]=4 13744 B16R1.3910 CCN1CCCCC1COCCC(=O)OC 7a_100000225091_100000204255 [0,1,0,1,0,0|2,0,0]=4 13745 B16R1.3910 CC[C@H]1COCCN1CCCCC(=O)OC 2230a_100016988097_100000204269 [0,1,0,1,0,0|2,0,0]=4 13746 B16R1.3910 CC[C@H]1COCCN1CCCCC(=O)OC 269982a_100016988097_100000204269 [0,1,0,1,0,0|2,0,0]=4 13747 B16R1.3910 CC[C@H]1COCCN1CCCCC(=O)OC 34a_100016988097_100000204269 [0,1,0,1,0,0|2,0,0]=4 13748 B16R1.3910 CN[C@@H]1CCCC[C@H]1OCCCC(=O)OC 34a_100000708425_100000742333 [0,1,0,1,0,0|2,0,0]=4 13749 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 2230a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 13750 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 13751 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 34a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 13752 B16R1.3910 COC(=O)CCCNC1CCCCC1OC 34a_100011208099_100000742333 [0,1,0,1,0,0|2,0,0]=4 13753 B16R1.3910 COC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000742333 [0,1,0,1,0,0|2,0,0]=4 13754 B16R1.3910 COC(=O)CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000742333 [0,1,0,1,0,0|2,0,0]=4 13755 B16R1.3910 COC(=O)CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011218270 [0,1,0,1,0,0|2,0,0]=4 13756 B16R1.6688 CCCCCCCCCCNC1CCC1=O 34a_100000684558_100009892977 [0,1,0,1,0,0|2,0,0]=4 13757 B16R1.6688 CCCCCCCCCCOC1CCC1=O 34a_100000210711_100009892977 [0,1,0,1,0,0|2,0,0]=4 13758 B16R1.6688 CCCCCCCCCCOC1CCC1=O 7a_100000210711_100009892977 [0,1,0,1,0,0|2,0,0]=4 13759 B16R1.6688 CCCCCCCCCCSC1CCC1=O 62a_100009892977_100000210320 [0,1,0,1,0,0|2,0,0]=4 13760 B16R1.6688 CCCCCCCCNCCC1CCC1=O 2230a_100000229939_200016118888 [0,1,0,1,0,0|2,0,0]=4 13761 B16R1.6688 CCCCCCCCOCCC1CCC1=O 7a_100000210232_200016118888 [0,1,0,1,0,0|2,0,0]=4 13762 B16R1.6688 CCCCCCCCSCCC1CCC1=O 62a_100000210759_200016118888 [0,1,0,1,0,0|2,0,0]=4 13763 B16R1.6688 CCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210317 [0,1,0,1,0,0|2,0,0]=4 13764 B16R1.6695 CCCC1CCCC1NCCCC(=O)NC 269862a_100000740002_100000723119 [0,1,0,1,0,0|2,0,0]=4 13765 B16R1.6695 CCCC1CCCC1NCCCC(=O)NC 270004a_100000740002_100000723119 [0,1,0,1,0,0|2,0,0]=4 13766 B16R1.6695 CCCN1CCCC1COCCC(=O)OC 34a_200000694710_100000742370 [0,1,0,1,0,0|2,0,0]=4 13767 B16R1.6695 CCCN1CCCC1COCCC(=O)OC 7a_200000694710_100000204255 [0,1,0,1,0,0|2,0,0]=4 13768 B16R1.6695 COC[C@@H]1CCCN1CCCCC(=O)OC 2230a_100020646714_100000204269 [0,1,0,1,0,0|2,0,0]=4 13769 B16R1.6695 COC[C@@H]1CCCN1CCCCC(=O)OC 269982a_100020646714_100000204269 [0,1,0,1,0,0|2,0,0]=4 13770 B16R1.6695 COC[C@@H]1CCCN1CCCCC(=O)OC 34a_100020646714_100000204269 [0,1,0,1,0,0|2,0,0]=4 13771 B16R1.12713 CCCCCC1CCCC1NCC(=O)NC 269862a_100000693194_200000198059 [0,1,0,1,0,0|2,0,0]=4 13772 B16R1.12713 CCCCCC1CCCC1NCC(=O)NC 270004a_100000693194_200000198059 [0,1,0,1,0,0|2,0,0]=4 13773 B16R1.12872 CCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210759 [0,1,0,1,0,0|1,0,0]=3 13774 B16R1.12872 CCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210759 [0,1,0,1,0,0|1,0,0]=3 13775 B16R1.12872 COC(=O)[C@@H]1CCN1CCCCCCCO 2230a_102516456887_100000760002 [0,1,0,1,0,0|2,0,0]=4 13776 B16R1.12872 COC(=O)[C@@H]1CCN1CCCCCCCO 269982a_102516456887_100000760002 [0,1,0,1,0,0|2,0,0]=4 13777 B16R1.12872 COCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011998445 [0,1,0,1,0,0|2,0,0]=4 13778 B16R1.12872 COCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011998445 [0,1,0,1,0,0|2,0,0]=4 13779 B16R1.16747 COC(=O)CCCCCCCCNC1CC1 34a_100000212008_100010282707 [0,1,0,1,0,0|1,0,0]=3 13780 B16R1.16747 COC(=O)CCCCCCCCOC1CC1 34a_100000035544_100000211595 [0,1,0,1,0,0|1,0,0]=3 13781 B16R1.16747 COC(=O)CCCCCCCCSC1CC1 62a_100010282707_100000211595 [0,1,0,1,0,0|1,0,0]=3 13782 B16R1.16747 COC(=O)CCCCCCCNCC1CC1 2230a_100000735609_100010004213 [0,1,0,1,0,0|1,0,0]=3 13783 B16R1.16747 COC(=O)CCCCCCCNCC1CC1 34a_100000735609_100010004213 [0,1,0,1,0,0|1,0,0]=3 13784 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 34a_100000211283_100010004213 [0,1,0,1,0,0|1,0,0]=3 13785 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 34a_100011022521_100000742324 [0,1,0,1,0,0|1,0,0]=3 13786 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 7a_100011022521_100000742324 [0,1,0,1,0,0|1,0,0]=3 13787 B16R1.16747 COC(=O)CCCCCCCOCC1CO1 34a_100011022521_102125554688 [0,1,0,1,0,0|2,0,0]=4 13788 B16R1.16747 COC(=O)CCCCCCCOCC1CO1 7a_100011022521_102125554688 [0,1,0,1,0,0|2,0,0]=4 13789 B16R1.16747 COC(=O)CCCCCCCOCC1CS1 7a_100011022521_100000031435 [0,1,0,1,0,0|2,0,0]=4 13790 B16R1.16747 COC(=O)CCCCCCCOC[C@@H]1CO1 34a_100000757423_100010004213 [0,1,0,1,0,0|2,0,0]=4 13791 B16R1.16747 COC(=O)CCCCCCCOC[C@@H]1CO1 7a_100011022521_100000745022 [0,1,0,1,0,0|2,0,0]=4 13792 B16R1.16747 COC(=O)CCCCCCCSCC1CC1 62a_100000756562_100010004213 [0,1,0,1,0,0|1,0,0]=3 13793 B16R1.16747 COC(=O)CCCCCCCSCC1CC1 62a_100010004213_100000742324 [0,1,0,1,0,0|1,0,0]=3 13794 B16R1.16747 COC(=O)CCCCCCCSCC1CO1 62a_100010004213_102125554688 [0,1,0,1,0,0|2,0,0]=4 13795 B16R1.16747 COC(=O)CCCCCCCSCC1CO1 62a_102125554688_100010004213 [0,1,0,1,0,0|2,0,0]=4 13796 B16R1.16747 COC(=O)CCCCCCCSCC1CS1 62a_100000031435_100010004213 [0,1,0,1,0,0|2,0,0]=4 13797 B16R1.16747 COC(=O)CCCCCCCSCC1CS1 62a_100010004213_100000031435 [0,1,0,1,0,0|2,0,0]=4 13798 B16R1.16747 COC(=O)CCCCCCCSC[C@@H]1CO1 62a_100000745022_100010004213 [0,1,0,1,0,0|2,0,0]=4 13799 B16R1.16747 COC(=O)CCCCCCCSC[C@@H]1CO1 62a_100010004213_100000745022 [0,1,0,1,0,0|2,0,0]=4 13800 B16R1.16747 COC(=O)CCCCCCNCCC1CC1 34a_100000764129_100009815986 [0,1,0,1,0,0|1,0,0]=3 13801 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 34a_100000754188_100009815986 [0,1,0,1,0,0|1,0,0]=3 13802 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 34a_100009863599_100000694398 [0,1,0,1,0,0|1,0,0]=3 13803 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 7a_100000754188_100009815986 [0,1,0,1,0,0|1,0,0]=3 13804 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 7a_100009863599_100000764125 [0,1,0,1,0,0|1,0,0]=3 13805 B16R1.16747 COC(=O)CCCCCCOCCC1CO1 34a_100009863599_100000732470 [0,1,0,1,0,0|2,0,0]=4 13806 B16R1.16747 COC(=O)CCCCCCOCCC1CO1 7a_100009863599_100000732470 [0,1,0,1,0,0|2,0,0]=4 13807 B16R1.16747 COC(=O)CCCCCCOCC[C@@H]1CO1 34a_100009820653_100009815986 [0,1,0,1,0,0|2,0,0]=4 13808 B16R1.16747 COC(=O)CCCCCCSCCC1CC1 62a_100000764125_100009815986 [0,1,0,1,0,0|1,0,0]=3 13809 B16R1.16747 COC(=O)CCCCCCSCCC1CC1 62a_100009815986_100000764125 [0,1,0,1,0,0|1,0,0]=3 13810 B16R1.16747 COC(=O)CCCCCCSCCC1CO1 62a_100000732470_100009815986 [0,1,0,1,0,0|2,0,0]=4 13811 B16R1.16747 COC(=O)CCCCCCSCCC1CO1 62a_100009815986_100000732470 [0,1,0,1,0,0|2,0,0]=4 13812 B16R1.16747 COC(=O)CCCCCOCCCC1CO1 34a_100000074720_100000733510 [0,1,0,1,0,0|2,0,0]=4 13813 B16R1.16747 COC(=O)CCCCCOCCCC1CO1 7a_100000074720_100000733510 [0,1,0,1,0,0|2,0,0]=4 13814 B16R1.16747 COC(=O)CCCCCOCCNC1CC1 34a_100000738766_100009816466 [0,1,0,1,0,0|2,0,0]=4 13815 B16R1.16747 COC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009816466 [0,1,0,1,0,0|2,0,0]=4 13816 B16R1.16747 COC(=O)CCCCCSCCCC1CO1 62a_100009816466_100000733510 [0,1,0,1,0,0|2,0,0]=4 13817 B16R1.16885 COC(=O)CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009815986 [0,1,0,1,0,0|1,0,0]=3 13818 B16R1.16885 COC(=O)CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009815986 [0,1,0,1,0,0|1,0,0]=3 13819 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 2230a_100015189458_100009815986 [0,1,0,1,0,0|1,0,0]=3 13820 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 269982a_100015189458_100009815986 [0,1,0,1,0,0|1,0,0]=3 13821 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 34a_100015189458_100009815986 [0,1,0,1,0,0|1,0,0]=3 13822 B16R1.16885 COC(=O)CCCCCCN1CCSC1C 2230a_200011216479_100009815986 [0,1,0,1,0,0|2,0,0]=4 13823 B16R1.16885 COC(=O)CCCCCCN1CCSC1C 269982a_200011216479_100009815986 [0,1,0,1,0,0|2,0,0]=4 13824 B16R1.16885 COC(=O)CCCCCCN1CCSC1C 34a_200011216479_100009815986 [0,1,0,1,0,0|2,0,0]=4 13825 B16R1.16885 COC(=O)CCCCCOC1CCCC1C 34a_100011216460_100009816466 [0,1,0,1,0,0|1,0,0]=3 13826 B16R1.16885 COC(=O)CCCCCOC1CCCC1C 7a_100011216460_100009816466 [0,1,0,1,0,0|1,0,0]=3 13827 B16R1.16885 COC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009816466 [0,1,0,1,0,0|2,0,0]=4 13828 B16R1.16885 COC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009816466 [0,1,0,1,0,0|2,0,0]=4 13829 B16R1.16885 COC(=O)CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009816466 [0,1,0,1,0,0|2,0,0]=4 13830 B16R1.16885 COC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009816466_200016002552 [0,1,0,1,0,0|2,0,0]=4 13831 B16R1.16885 COC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009816466 [0,1,0,1,0,0|2,0,0]=4 13832 B16R1.16885 COC(=O)CCCCOCC1CCCN1C 34a_100000743107_100000204269 [0,1,0,1,0,0|2,0,0]=4 13833 B16R1.16885 COC(=O)CCCOCCC1CCCN1C 34a_100011215177_100000742333 [0,1,0,1,0,0|2,0,0]=4 13834 B16R1.16885 COC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011218270 [0,1,0,1,0,0|2,0,0]=4 13835 B16R1.16885 COC(=O)CCCSCCC1CCCN1C 62a_100000005710_100011218270 [0,1,0,1,0,0|2,0,0]=4 13836 B16R1.16885 COC(=O)CCCSCCC1CCCN1C 62a_100011218270_100000005710 [0,1,0,1,0,0|2,0,0]=4 13837 B16R1.16890 COC(=O)CCCCCCCN1CCC1C 269982a_100000755817_100010004213 [0,1,0,1,0,0|1,0,0]=3 13838 B16R1.16890 COC(=O)CCCCCCCN1CCC1C 34a_100000755817_100010004213 [0,1,0,1,0,0|1,0,0]=3 13839 B16R1.16924 CNC(=O)CCCNCC1CCCCCC1 2230a_100000740002_200000696569 [0,1,0,1,0,0|2,0,0]=4 13840 B16R1.16924 CNC(=O)CCCNCC1CCCCCC1 2230a_100015204231_100000741757 [0,1,0,1,0,0|2,0,0]=4 13841 B16R1.16924 CNC(=O)CCCNCC1CCCCCC1 269862a_100000740002_200000763224 [0,1,0,1,0,0|2,0,0]=4 13842 B16R1.16924 CNC(=O)CCCNCC1CCCCCC1 34a_100000740002_200000696569 [0,1,0,1,0,0|2,0,0]=4 13843 B16R1.16924 CNC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000741757 [0,1,0,1,0,0|2,0,0]=4 13844 B16R1.16924 CNC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000741757 [0,1,0,1,0,0|2,0,0]=4 13845 B16R1.16924 CNC(=O)CCCOCC1CCCCCC1 7a_100000699130_100000741757 [0,1,0,1,0,0|2,0,0]=4 13846 B16R1.16924 CNC(=O)CCCSCC1CCCCCC1 62a_100000741757_200000696569 [0,1,0,1,0,0|2,0,0]=4 13847 B16R1.16924 CNC(=O)CCCSCC1CCCCCC1 62a_200000696569_100000741757 [0,1,0,1,0,0|2,0,0]=4 13848 B16R1.16924 CNC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000737683 [0,1,0,1,0,0|2,0,0]=4 13849 B16R1.16924 CNC(=O)CCNCCC1CCCCCC1 34a_100011532351_100012179268 [0,1,0,1,0,0|2,0,0]=4 13850 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009816466 [0,1,0,1,0,0|1,0,0]=3 13851 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009816466 [0,1,0,1,0,0|1,0,0]=3 13852 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009816466 [0,1,0,1,0,0|1,0,0]=3 13853 B16R1.16924 COC(=O)CCCCCN1CCCOCC1 2230a_100000685342_100009816466 [0,1,0,1,0,0|2,0,0]=4 13854 B16R1.16924 COC(=O)CCCCCN1CCCOCC1 269982a_100000685342_100009816466 [0,1,0,1,0,0|2,0,0]=4 13855 B16R1.16924 COC(=O)CCCCCN1CCCOCC1 34a_100000685342_100009816466 [0,1,0,1,0,0|2,0,0]=4 13856 B16R1.16924 COC(=O)CCCCNC1CCCCCC1 2230a_100000210984_100000204269 [0,1,0,1,0,0|1,0,0]=3 13857 B16R1.16924 COC(=O)CCCCNC1CCCCCC1 34a_100000210984_100000204269 [0,1,0,1,0,0|1,0,0]=3 13858 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 34a_100000059025_100011217769 [0,1,0,1,0,0|1,0,0]=3 13859 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 34a_100000210887_100000204269 [0,1,0,1,0,0|1,0,0]=3 13860 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000204269 [0,1,0,1,0,0|1,0,0]=3 13861 B16R1.16924 COC(=O)CCCCSC1CCCCCC1 62a_100000204269_100011217769 [0,1,0,1,0,0|1,0,0]=3 13862 B16R1.16924 COC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000204269 [0,1,0,1,0,0|1,0,0]=3 13863 B16R1.16924 COC(=O)CCCNCC1CCCCCC1 2230a_100015204231_100011218270 [0,1,0,1,0,0|1,0,0]=3 13864 B16R1.16924 COC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000742333 [0,1,0,1,0,0|1,0,0]=3 13865 B16R1.16924 COC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000742333 [0,1,0,1,0,0|1,0,0]=3 13866 B16R1.16924 COC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011218270 [0,1,0,1,0,0|1,0,0]=3 13867 B16R1.16924 COC(=O)CCCSCC1CCCCCC1 62a_100011218270_200000696569 [0,1,0,1,0,0|1,0,0]=3 13868 B16R1.16924 COC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011218270 [0,1,0,1,0,0|1,0,0]=3 13869 B16R1.16924 COC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000204255 [0,1,0,1,0,0|1,0,0]=3 13870 B16R1.16924 COC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000742370 [0,1,0,1,0,0|1,0,0]=3 13871 B16R1.16924 COC(=O)CCOCCN1CCCCCC1 34a_100000238007_100000742370 [0,1,0,1,0,0|2,0,0]=4 13872 B16R1.16924 COC(=O)CCSCCN1CCCCCC1 62a_100000204255_100000722644 [0,1,0,1,0,0|2,0,0]=4 13873 B16R1.16924 COC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000204255 [0,1,0,1,0,0|2,0,0]=4 13874 B16R1.16924 COC(=O)COCCCN1CCCCCC1 34a_100102886287_100000747449 [0,1,0,1,0,0|2,0,0]=4 13875 B16R1.16924 COC(=O)COCCCN1CCCCCC1 7a_100102886287_100000747449 [0,1,0,1,0,0|2,0,0]=4 13876 B16R1.16924 COC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000090808 [0,1,0,1,0,0|2,0,0]=4 13877 B16R1.16924 COC(=O)COCCNC1CCCCCC1 34a_100000210984_100000090808 [0,1,0,1,0,0|2,0,0]=4 13878 B16R1.16924 COC(=O)COCCOC1CCCCCC1 34a_100000210887_100000090808 [0,1,0,1,0,0|2,0,0]=4 13879 B16R1.16924 COC(=O)COCCOC1CCCCCC1 7a_100000210887_100000090808 [0,1,0,1,0,0|2,0,0]=4 13880 B16R1.16924 COC(=O)COCCSC1CCCCCC1 62a_100000090808_100011217769 [0,1,0,1,0,0|2,0,0]=4 13881 B16R1.16924 COC(=O)COCCSC1CCCCCC1 62a_100011217769_100000090808 [0,1,0,1,0,0|2,0,0]=4 13882 B16R1.16924 COC(=O)NCCOCC1CCCCCC1 34a_100000757965_200000696569 [0,1,0,1,0,0|2,0,0]=4 13883 B16R1.16924 COC(=O)OCCOCC1CCCCCC1 34a_100010262106_200000696569 [0,1,0,1,0,0|2,0,0]=4 13884 B16R1.16924 NNC(=O)CCCOCC1CCCCCC1 34a_100000211488_200000696569 [0,1,0,1,0,0|2,0,0]=4 13885 B16R1.16924 O=C(CO)NCCCCN1CCCCCC1 240690a_100011207362_100000210174 [0,1,0,1,0,0|2,0,0]=4 13886 B16R1.16924 O=C(CO)NCCCCN1CCCCCC1 527a_100011207362_100000210174 [0,1,0,1,0,0|2,0,0]=4 13887 B16R1.17553 CCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011214924 [0,1,0,1,0,0|1,0,0]=3 13888 B16R1.17553 COC(=O)C1CN1CCCCCCCCO 2230a_200009830135_100000033203 [0,1,0,1,0,0|2,0,0]=4 13889 B16R1.18261 CNC(=O)CCCNC1CCCCCCC1 2230a_100000211152_100000741757 [0,1,0,1,0,0|2,0,0]=4 13890 B16R1.18261 CNC(=O)CCCNC1CCCCCCC1 270004a_100000740002_100000210524 [0,1,0,1,0,0|2,0,0]=4 13891 B16R1.18261 CNC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000741757 [0,1,0,1,0,0|2,0,0]=4 13892 B16R1.18261 CNC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000741757 [0,1,0,1,0,0|2,0,0]=4 13893 B16R1.18261 CNC(=O)CCCOC1CCCCCCC1 7a_100000210054_100000741757 [0,1,0,1,0,0|2,0,0]=4 13894 B16R1.18261 CNC(=O)CCOCC1CCCCCCC1 34a_100011216312_100012179268 [0,1,0,1,0,0|2,0,0]=4 13895 B16R1.18261 CNC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000737683 [0,1,0,1,0,0|2,0,0]=4 13896 B16R1.18261 CNC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000183359 [0,1,0,1,0,0|2,0,0]=4 13897 B16R1.18261 CNC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000183359 [0,1,0,1,0,0|2,0,0]=4 13898 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 2230a_100000211400_100000204269 [0,1,0,1,0,0|1,0,0]=3 13899 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000204269 [0,1,0,1,0,0|1,0,0]=3 13900 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 34a_100000211400_100000204269 [0,1,0,1,0,0|1,0,0]=3 13901 B16R1.18261 COC(=O)CCCNC1CCCCCCC1 2230a_100000211152_100011218270 [0,1,0,1,0,0|1,0,0]=3 13902 B16R1.18261 COC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000742333 [0,1,0,1,0,0|1,0,0]=3 13903 B16R1.18261 COC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000742333 [0,1,0,1,0,0|1,0,0]=3 13904 B16R1.18261 COC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011218270 [0,1,0,1,0,0|1,0,0]=3 13905 B16R1.18261 COC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000742370 [0,1,0,1,0,0|1,0,0]=3 13906 B16R1.18261 COC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000204255 [0,1,0,1,0,0|1,0,0]=3 13907 B16R1.18261 COC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747449 [0,1,0,1,0,0|1,0,0]=3 13908 B16R1.18261 COC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000747449 [0,1,0,1,0,0|1,0,0]=3 13909 B16R1.18261 COC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000090808 [0,1,0,1,0,0|2,0,0]=4 13910 B16R1.18261 COC(=O)COCCN1CCCCCCC1 34a_100000211400_100000090808 [0,1,0,1,0,0|2,0,0]=4 13911 B16R1.18469 CNC(=O)CCCN1CCCCCCCC1 2230a_100000039187_100000741757 [0,1,0,1,0,0|2,0,0]=4 13912 B16R1.18469 CNC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100000741757 [0,1,0,1,0,0|2,0,0]=4 13913 B16R1.18469 CNC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000741757 [0,1,0,1,0,0|2,0,0]=4 13914 B16R1.18469 CNC(=O)CCNC1CCCCCCCC1 270004a_100000738227_100000038600 [0,1,0,1,0,0|2,0,0]=4 13915 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 2230a_100000039187_100011218270 [0,1,0,1,0,0|1,0,0]=3 13916 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011218270 [0,1,0,1,0,0|1,0,0]=3 13917 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000742333 [0,1,0,1,0,0|1,0,0]=3 13918 B16R1.401 CC(CNCCC1CCCCN1C)C(=O)O 269956a_100000749485_100000211948 [0,1,0,1,0,0|2,0,0]=4 13919 B16R1.401 CN1CCCCC1CCNCC(F)C(=O)O 269956a_100000084737_100000211948 [0,1,0,1,0,0|2,0,0]=4 13920 B16R1.4131 CC(=O)C(C)COCCCC1CCCCC1 34a_100000032740_100011713725 [0,1,0,1,0,0|2,0,0]=4 13921 B16R1.4131 CC(=O)C(C)COCCCC1CCCCC1 7a_100000032740_100011713725 [0,1,0,1,0,0|2,0,0]=4 13922 B16R1.4131 CC(=O)C(C)OCCCCC1CCCCC1 7a_100011215267_100000179758 [0,1,0,1,0,0|2,0,0]=4 13923 B16R1.4131 CC(CNCCCC1CCCCC1)C(=O)O 269956a_100000749485_100011713725 [0,1,0,1,0,0|1,0,0]=3 13924 B16R1.4131 CC(CNCCCN1CCCCC1)C(=O)O 269956a_100000749485_100000007876 [0,1,0,1,0,0|2,0,0]=4 13925 B16R1.4131 CC(CNCCOC1CCCCC1)C(=O)O 269956a_100000749485_100011211530 [0,1,0,1,0,0|2,0,0]=4 13926 B16R1.4131 CC(OCCCCC1CCCCC1)C(=O)N 34a_100011215267_100000702099 [0,1,0,1,0,0|2,0,0]=4 13927 B16R1.4131 CC(OCCCCC1CCCCC1)C(=O)N 7a_100011215267_100000702099 [0,1,0,1,0,0|2,0,0]=4 13928 B16R1.4131 NC(=O)C(F)OCCCCC1CCCCC1 34a_100011215267_100009813875 [0,1,0,1,0,0|2,0,0]=4 13929 B16R1.4131 NC(=O)C(F)OCCCCC1CCCCC1 7a_100011215267_100009813875 [0,1,0,1,0,0|2,0,0]=4 13930 B16R1.4131 NC(=O)[C@@H](N)COCCCC1CCCCC1 34a_100000729942_100011713725 [0,1,0,1,0,0|2,0,0]=4 13931 B16R1.4131 O=C(O)C(F)CNCCCC1CCCCC1 269956a_100000084737_100011713725 [0,1,0,1,0,0|1,0,0]=3 13932 B16R1.4131 O=C(O)C(F)CNCCCN1CCCCC1 269956a_100000084737_100000007876 [0,1,0,1,0,0|2,0,0]=4 13933 B16R1.4131 O=C(O)C(F)CNCCOC1CCCCC1 269956a_100000084737_100011211530 [0,1,0,1,0,0|2,0,0]=4 13934 B16R1.4131 O=C([O-])C(F)OCCCCC1CCCCC1 34a_100011215267_100020610796 [0,1,0,1,0,0|1,0,1]=4 13935 B16R1.8528 CC1(CCCCN1CCCCCF)C(=O)O 269956a_100000698061_100000729378 [0,1,0,1,0,0|2,0,0]=4 13936 B16R1.8528 CC1(CCCCN1CCCCCO)C(=O)O 269956a_100000698061_100000746330 [0,1,0,1,0,0|2,0,0]=4 13937 B16R1.8528 CCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210757 [0,1,0,1,0,0|1,0,0]=3 13938 B16R1.8528 CCCCOCN1CCCCC1(C)C(=O)O 269956a_100000698061_100011995733 [0,1,0,1,0,0|2,0,0]=4 13939 B16R1.8528 CCCOCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100011215938 [0,1,0,1,0,0|2,0,0]=4 13940 B16R1.8528 CCOCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100012232248 [0,1,0,1,0,0|2,0,0]=4 13941 B16R1.8528 COCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000730899 [0,1,0,1,0,0|2,0,0]=4 13942 B16R1.12712 CCCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_200000198059 [0,1,0,1,0,0|2,0,0]=4 13943 B16R1.12877 CCCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210759 [0,1,0,1,0,0|2,0,0]=4 13944 B16R1.12877 CCCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210759 [0,1,0,1,0,0|2,0,0]=4 13945 B16R1.12877 CCCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210759 [0,1,0,1,0,0|2,0,0]=4 13946 B16R1.12877 CCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210614 [0,1,0,1,0,0|1,0,0]=3 13947 B16R1.12877 CCCCOCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000743108 [0,1,0,1,0,0|2,0,0]=4 13948 B16R1.12877 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCF 269956a_100015195206_100015922095 [0,1,0,1,0,0|2,0,0]=4 13949 B16R1.12877 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCO 269956a_100015195206_100000766143 [0,1,0,1,0,0|2,0,0]=4 13950 B16R1.17546 CCCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100011214924 [0,1,0,1,0,0|2,0,0]=4 13951 B16R1.17546 CCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210759 [0,1,0,1,0,0|1,0,0]=3 13952 B16R1.17546 COCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011998445 [0,1,0,1,0,0|2,0,0]=4 13953 B16R1.17546 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCO 269956a_100000738708_100000760002 [0,1,0,1,0,0|2,0,0]=4 13954 B16R1.17793 CCCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210681 [0,1,0,1,0,0|2,0,0]=4 13955 B16R1.17793 CCCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210681 [0,1,0,1,0,0|2,0,0]=4 13956 B16R1.17793 CCCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210614 [0,1,0,1,0,0|2,0,0]=4 13957 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210314 [0,1,0,1,0,0|2,0,0]=4 13958 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210314 [0,1,0,1,0,0|2,0,0]=4 13959 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210757 [0,1,0,1,0,0|1,0,0]=3 13960 B16R1.17793 CCCCOCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011995733 [0,1,0,1,0,0|2,0,0]=4 13961 B16R1.17793 CCCOCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011215938 [0,1,0,1,0,0|2,0,0]=4 13962 B16R1.17793 CCOCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100012232248 [0,1,0,1,0,0|2,0,0]=4 13963 B16R1.17793 COCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000730899 [0,1,0,1,0,0|2,0,0]=4 13964 B16R1.17793 O=C(O)C1CCCC(C1)NCCCCCF 269956a_100011216634_100000729378 [0,1,0,1,0,0|2,0,0]=4 13965 B16R1.17793 O=C(O)C1CCCC(C1)NCCCCCO 269956a_100011216634_100000746330 [0,1,0,1,0,0|2,0,0]=4 13966 B16R1.23446 CCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210614 [0,1,0,1,0,0|1,0,0]=3 13967 B16R1.23446 CCCCOCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000743108 [0,1,0,1,0,0|2,0,0]=4 13968 B16R1.23446 C[C@]1(CCCN1CCCCCCF)C(=O)O 269956a_100009816582_100015922095 [0,1,0,1,0,0|2,0,0]=4 13969 B16R1.23446 C[C@]1(CCCN1CCCCCCO)C(=O)O 269956a_100009816582_100000766143 [0,1,0,1,0,0|2,0,0]=4 13970 B16R1.24424 CC(=O)C(C)NCCC1CCCCCCC1 2230a_100011532352_100009814033 [0,1,0,1,0,0|2,0,0]=4 13971 B16R1.24424 CC(NCCC1CCCCCCC1)C(=O)N 2230a_100011532352_100000702099 [0,1,0,1,0,0|2,0,0]=4 13972 B16R1.24424 CC(NCCC1CCCCCCC1)C(=O)N 34a_100011532352_100000702099 [0,1,0,1,0,0|2,0,0]=4 13973 B16R1.24424 NC(=O)C(F)NCCC1CCCCCCC1 2230a_100011532352_100009813875 [0,1,0,1,0,0|2,0,0]=4 13974 B16R1.24424 NC(=O)C(F)NCCC1CCCCCCC1 34a_100011532352_100009813875 [0,1,0,1,0,0|2,0,0]=4 13975 B16R1.24424 O=C([O-])C(F)NCCC1CCCCCCC1 34a_100011532352_100020610796 [0,1,0,1,0,0|1,0,1]=4 13976 B16R1.58988 CC(CNCCN1CCCCCC1)C(=O)O 269956a_100000749485_100000722644 [0,1,0,1,0,0|2,0,0]=4 13977 B16R1.58988 O=C(O)C(F)CNCCN1CCCCCC1 269956a_100000084737_100000722644 [0,1,0,1,0,0|2,0,0]=4 13978 B16R1.697 CCCC1CCCCC1N(C)CCC(=O)N 270004a_100000730477_100011218038 [0,1,0,1,0,0|2,0,0]=4 13979 B16R1.1225 CCCCCCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210757 [0,1,0,1,0,0|2,0,0]=4 13980 B16R1.1225 CCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210757 [0,1,0,1,0,0|1,0,0]=3 13981 B16R1.1225 CCCCOCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100011995733 [0,1,0,1,0,0|2,0,0]=4 13982 B16R1.1225 CCCOCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100011215938 [0,1,0,1,0,0|2,0,0]=4 13983 B16R1.1225 CCOCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100012232248 [0,1,0,1,0,0|2,0,0]=4 13984 B16R1.1225 COCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000730899 [0,1,0,1,0,0|2,0,0]=4 13985 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCF 269956a_100009817619_100000729378 [0,1,0,1,0,0|2,0,0]=4 13986 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCO 269956a_100009817619_100000746330 [0,1,0,1,0,0|2,0,0]=4 13987 B16R1.1272 CCCCC1CCCC1N(C)CCC(=O)N 270004a_100000730477_100000750825 [0,1,0,1,0,0|2,0,0]=4 13988 B16R1.1408 CCCCCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210326 [0,1,0,1,0,0|2,0,0]=4 13989 B16R1.1408 CCCCCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210215 [0,1,0,1,0,0|2,0,0]=4 13990 B16R1.1408 CCCCCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000718602 [0,1,0,1,0,0|2,0,0]=4 13991 B16R1.3895 CCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210681 [0,1,0,1,0,0|2,0,0]=4 13992 B16R1.3895 CCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210681 [0,1,0,1,0,0|2,0,0]=4 13993 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210681 [0,1,0,1,0,0|2,0,0]=4 13994 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210681 [0,1,0,1,0,0|2,0,0]=4 13995 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210614 [0,1,0,1,0,0|2,0,0]=4 13996 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210614 [0,1,0,1,0,0|1,0,0]=3 13997 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210614 [0,1,0,1,0,0|1,0,0]=3 13998 B16R1.3895 CCCCOCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000743108 [0,1,0,1,0,0|2,0,0]=4 13999 B16R1.3895 CCCCOCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000743108 [0,1,0,1,0,0|2,0,0]=4 14000 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)F 269956a_100016993324_100015922095 [0,1,0,1,0,0|2,0,0]=4 14001 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)O 269956a_100000750407_100015922095 [0,1,0,1,0,0|2,0,0]=4 14002 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)F 269956a_100016993324_100000766143 [0,1,0,1,0,0|2,0,0]=4 14003 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)O 269956a_100000750407_100000766143 [0,1,0,1,0,0|2,0,0]=4 14004 B16R1.13661 CCCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210670 [0,1,0,1,0,0|1,0,1]=4 14005 B16R1.13661 CCCCCCCCCN(C)C1CC(=O)C1 269982a_100000232482_100009894365 [0,1,0,1,0,0|2,0,0]=4 14006 B16R1.18213 CN(CCCC1CCCCC1)CCC(=O)N 2230a_100000730477_100011713725 [0,1,0,1,0,0|2,0,0]=4 14007 B16R1.18213 NC(=O)CCC(=O)CCCC1CCCCC1 1458a_100011215257_100011713725 [0,1,0,1,0,0|1,0,1]=4 14008 B16R1.26095 CN(CCC(=O)N)C1CCCCCCCC1 270004a_100000730477_100000038600 [0,1,0,1,0,0|2,0,0]=4 14009 B16R1.83 CC(C)CCCCCOC1CCCC(=O)C1 34a_100012613340_100000210682 [0,1,0,1,0,0|2,0,0]=4 14010 B16R1.83 CC(C)CCCCOCC1CCCC(=O)N1 34a_200000102386_100011216152 [0,1,0,1,0,0|2,0,0]=4 14011 B16R1.83 CC1CCCC(C1)NCCCCCC(=O)N 2230a_100011194320_100009817443 [0,1,0,1,0,0|2,0,0]=4 14012 B16R1.83 CC1CCCC(C1)NCCCCCC(=O)N 34a_100011194320_100009817443 [0,1,0,1,0,0|2,0,0]=4 14013 B16R1.83 CC1CCCC(C1)OCCCCCC(=O)N 34a_100000211399_100009817443 [0,1,0,1,0,0|2,0,0]=4 14014 B16R1.83 NC(=O)CCCCCNC1CCCC(C1)O 2230a_100015190357_100009817443 [0,1,0,1,0,0|2,0,0]=4 14015 B16R1.394 CC(=O)CCCCOCCC1CCCN1C 34a_100011215177_100009817362 [0,1,0,1,0,0|2,0,0]=4 14016 B16R1.394 CC(=O)CCCCOCCC1CCCN1C 7a_100011215177_100000735457 [0,1,0,1,0,0|2,0,0]=4 14017 B16R1.394 CC(=O)CCCCSCCC1CCCN1C 62a_100000005710_100000735457 [0,1,0,1,0,0|2,0,0]=4 14018 B16R1.394 CC(=O)CCCCSCCC1CCCN1C 62a_100000735457_100000005710 [0,1,0,1,0,0|2,0,0]=4 14019 B16R1.394 CC(=O)NCCCCCNC1CCCC1C 269862a_200012022750_100000752053 [0,1,0,1,0,0|2,0,0]=4 14020 B16R1.394 CC(=O)OCCCCCOC1CCCC1C 34a_100011216460_100000033007 [0,1,0,1,0,0|2,0,0]=4 14021 B16R1.394 CC(=O)OCCCCCOC1CCCC1C 7a_100011216460_100000033007 [0,1,0,1,0,0|2,0,0]=4 14022 B16R1.394 CC1CCCC1OCCCCCCB(O)O 34a_100011216460_100009817187 [0,1,0,1,0,0|1,0,1]=4 14023 B16R1.394 CC1CCCC1OCCCCCCB(O)O 7a_100011216460_100009817187 [0,1,0,1,0,0|1,0,1]=4 14024 B16R1.394 CN1CCCC1CCNCCCCC(=O)N 34a_100000696515_100000005710 [0,1,0,1,0,0|2,0,0]=4 14025 B16R1.394 CN1CCCC1CCNCCOCC(=O)O 269956a_100000700818_100000005710 [0,1,0,1,0,0|2,0,0]=4 14026 B16R1.394 CN1CCCC1CCOCCCCC(=O)N 34a_100012022536_100000005710 [0,1,0,1,0,0|2,0,0]=4 14027 B16R1.394 CN1CCCC1CCOCCCCC(=O)N 7a_100012022536_100000005710 [0,1,0,1,0,0|2,0,0]=4 14028 B16R1.394 CN1CCCC1COCCCCCC(=O)N 34a_100000743107_100009817443 [0,1,0,1,0,0|2,0,0]=4 14029 B16R1.652 CCCC1CCC(C1)NCCCCC(=O)N 270004a_100000696515_200012087856 [0,1,0,1,0,0|2,0,0]=4 14030 B16R1.931 CCCC(C)CCCOCC1CNC(=O)O1 34a_100011713154_100000181169 [0,1,0,1,0,0|2,0,0]=4 14031 B16R1.931 CCCC(C)CCCOCC1CNC(=O)O1 7a_100011713154_100000181169 [0,1,0,1,0,0|2,0,0]=4 14032 B16R1.931 CCCC(C)CCCOCC1COC(=O)O1 34a_100011713154_100000073702 [0,1,0,1,0,0|2,0,0]=4 14033 B16R1.931 CCCC(C)CCCOC[C@@H]1CCC(=O)N1 7a_100011713154_100015189358 [0,1,0,1,0,0|2,0,0]=4 14034 B16R1.959 CC(CCO)N1CCCCC1CCC(=O)O 269956a_100000694054_100009893172 [0,1,0,1,0,0|2,0,0]=4 14035 B16R1.959 CCCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000766640 [0,1,0,1,0,0|1,0,0]=3 14036 B16R1.959 COCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000765312 [0,1,0,1,0,0|2,0,0]=4 14037 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [0,1,0,1,0,0|1,0,0]=3 14038 B16R1.1275 CC(=O)CCCCNCCOC1CCCC1 34a_100000741755_100009817362 [0,1,0,1,0,0|2,0,0]=4 14039 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [0,1,0,1,0,0|1,0,0]=3 14040 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [0,1,0,1,0,0|1,0,0]=3 14041 B16R1.1275 CC(=O)CCCCOCCNC1CCCC1 34a_200000200444_100009817362 [0,1,0,1,0,0|2,0,0]=4 14042 B16R1.1275 CC(=O)CCCCOCCOC1CCCC1 34a_100000738311_100009817362 [0,1,0,1,0,0|2,0,0]=4 14043 B16R1.1275 CC(=O)CCCCOCCOC1CCCC1 7a_100000738311_100000735457 [0,1,0,1,0,0|2,0,0]=4 14044 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [0,1,0,1,0,0|1,0,0]=3 14045 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [0,1,0,1,0,0|1,0,0]=3 14046 B16R1.1275 CC(=O)CCCCSCCCN1CCCC1 62a_100000735457_100011445909 [0,1,0,1,0,0|2,0,0]=4 14047 B16R1.1275 CC(=O)CCCCSCCCN1CCCC1 62a_100016991639_100000735457 [0,1,0,1,0,0|2,0,0]=4 14048 B16R1.1275 CC(=O)CCCNCCCOC1CCCC1 34a_100000747560_100000685027 [0,1,0,1,0,0|2,0,0]=4 14049 B16R1.1275 CC(=O)NCCCCCCNC1CCCC1 2230a_200011996284_100000179811 [0,1,0,1,0,0|2,0,0]=4 14050 B16R1.1275 CC(=O)NCCCCCCNC1CCCC1 270004a_200011996284_100000210133 [0,1,0,1,0,0|2,0,0]=4 14051 B16R1.1275 CC(=O)NCCCCCCNC1CCCC1 34a_200011996284_100000179811 [0,1,0,1,0,0|2,0,0]=4 14052 B16R1.1275 CC(=O)NCCCCCNCC1CCCC1 2230a_200012022750_100000740388 [0,1,0,1,0,0|2,0,0]=4 14053 B16R1.1275 CC(=O)NCCCCCNCC1CCCC1 269862a_200012022750_100000746403 [0,1,0,1,0,0|2,0,0]=4 14054 B16R1.1275 CC(=O)NCCCCCNCC1CCCC1 34a_200012022750_100000740388 [0,1,0,1,0,0|2,0,0]=4 14055 B16R1.1275 CC(=O)NCCCCNCCC1CCCC1 2230a_200011368371_100000760354 [0,1,0,1,0,0|2,0,0]=4 14056 B16R1.1275 CC(=O)NCCCCNCCC1CCCC1 34a_200011368371_100000760354 [0,1,0,1,0,0|2,0,0]=4 14057 B16R1.1275 CC(=O)NCCCNCCCC1CCCC1 34a_100000736810_100011713738 [0,1,0,1,0,0|2,0,0]=4 14058 B16R1.1275 CC(=O)NCCCOCCCC1CCCC1 34a_100000752032_100011713738 [0,1,0,1,0,0|2,0,0]=4 14059 B16R1.1275 CC(=O)OCCCCCNCC1CCCC1 2230a_100000737975_100009813381 [0,1,0,1,0,0|2,0,0]=4 14060 B16R1.1275 CC(=O)OCCCCCNCC1CCCC1 34a_100000737975_100000033007 [0,1,0,1,0,0|2,0,0]=4 14061 B16R1.1275 CC(=O)OCCCCCOCC1CCCC1 34a_100000742336_100000033007 [0,1,0,1,0,0|2,0,0]=4 14062 B16R1.1275 CC(=O)OCCCCCOCC1CCCC1 7a_100000742336_100000033007 [0,1,0,1,0,0|2,0,0]=4 14063 B16R1.1275 CC(=O)OCCCCCSCC1CCCC1 62a_100000033007_100000740388 [0,1,0,1,0,0|2,0,0]=4 14064 B16R1.1275 CC(=O)OCCCCCSCC1CCCC1 62a_100000740388_100000033007 [0,1,0,1,0,0|2,0,0]=4 14065 B16R1.1275 CC(=O)OCCCCNCCC1CCCC1 34a_100000739158_100000033659 [0,1,0,1,0,0|2,0,0]=4 14066 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 34a_100000073216_100000760354 [0,1,0,1,0,0|2,0,0]=4 14067 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 34a_100000749090_100000033659 [0,1,0,1,0,0|2,0,0]=4 14068 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 7a_100000073216_100000760354 [0,1,0,1,0,0|2,0,0]=4 14069 B16R1.1275 CC(=O)OCCCCOCCC1CCCC1 7a_100000749090_100000033659 [0,1,0,1,0,0|2,0,0]=4 14070 B16R1.1275 CC(=O)OCCCCSCCC1CCCC1 62a_100000033659_100000760354 [0,1,0,1,0,0|2,0,0]=4 14071 B16R1.1275 CC(=O)OCCCCSCCC1CCCC1 62a_100000760354_100000033659 [0,1,0,1,0,0|2,0,0]=4 14072 B16R1.1275 CC(=O)OCCCNCCCC1CCCC1 34a_100000736752_100000042594 [0,1,0,1,0,0|2,0,0]=4 14073 B16R1.1275 CC(=O)OCCCOCCCC1CCCC1 34a_100011215328_100000042594 [0,1,0,1,0,0|2,0,0]=4 14074 B16R1.1275 CC(=O)OCCCOCCCC1CCCC1 7a_100011215328_100000042594 [0,1,0,1,0,0|2,0,0]=4 14075 B16R1.1275 CC(=O)OCCCSCCCC1CCCC1 62a_100000042594_100011713738 [0,1,0,1,0,0|2,0,0]=4 14076 B16R1.1275 CC(=O)OCCCSCCCC1CCCC1 62a_100011713738_100000042594 [0,1,0,1,0,0|2,0,0]=4 14077 B16R1.1275 CC(=O)SCCCCCCNC1CCCC1 270004a_100000704104_100000210133 [0,1,0,1,0,0|2,0,0]=4 14078 B16R1.1275 CC(=O)SCCCCNCCC1CCCC1 2230a_100000739158_200010402107 [0,1,0,1,0,0|2,0,0]=4 14079 B16R1.1275 CC(=O)SCCCCNCCC1CCCC1 34a_100000739158_200010402107 [0,1,0,1,0,0|2,0,0]=4 14080 B16R1.1275 CC(=O)SCCCCOCCC1CCCC1 34a_100000749090_200010402107 [0,1,0,1,0,0|2,0,0]=4 14081 B16R1.1275 CC(=O)SCCCCOCCC1CCCC1 7a_100000749090_200010402107 [0,1,0,1,0,0|2,0,0]=4 14082 B16R1.1275 CC(=O)SCCCCSCCC1CCCC1 62a_100000760354_200010402107 [0,1,0,1,0,0|2,0,0]=4 14083 B16R1.1275 CC(=O)SCCCCSCCC1CCCC1 62a_200010402107_100000760354 [0,1,0,1,0,0|2,0,0]=4 14084 B16R1.1275 CC(=O)SCCCNCCCC1CCCC1 2230a_100000736752_100000038929 [0,1,0,1,0,0|2,0,0]=4 14085 B16R1.1275 CC(=O)SCCCNCCCC1CCCC1 34a_100000736752_100000038929 [0,1,0,1,0,0|2,0,0]=4 14086 B16R1.1275 CC(=O)SCCCOCCCC1CCCC1 34a_100011215328_100000038929 [0,1,0,1,0,0|2,0,0]=4 14087 B16R1.1275 CC(=O)SCCCOCCCC1CCCC1 7a_100011215328_100000038929 [0,1,0,1,0,0|2,0,0]=4 14088 B16R1.1275 CC(=O)SCCCSCCCC1CCCC1 62a_100000038929_100011713738 [0,1,0,1,0,0|2,0,0]=4 14089 B16R1.1275 CC(=O)SCCCSCCCC1CCCC1 62a_100011713738_100000038929 [0,1,0,1,0,0|2,0,0]=4 14090 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [0,1,0,1,0,0|1,0,0]=3 14091 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [0,1,0,1,0,0|1,0,0]=3 14092 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [0,1,0,1,0,0|1,0,0]=3 14093 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [0,1,0,1,0,0|1,0,0]=3 14094 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [0,1,0,1,0,0|1,0,0]=3 14095 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [0,1,0,1,0,0|1,0,0]=3 14096 B16R1.1275 NC(=O)CCCCCOCCC1CCNC1 34a_100016987287_100009817443 [0,1,0,1,0,0|2,0,0]=4 14097 B16R1.1275 NC(=O)CCCCCOCCC1CCOC1 34a_100011879284_100009817443 [0,1,0,1,0,0|2,0,0]=4 14098 B16R1.1275 NC(=O)CCCCCOCCN1CCCC1 7a_100000123541_100000004467 [0,1,0,1,0,0|2,0,0]=4 14099 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [0,1,0,1,0,0|1,0,0]=3 14100 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [0,1,0,1,0,0|1,0,0]=3 14101 B16R1.1275 NC(=O)CCCCCSCCN1CCCC1 62a_100000700749_100009817443 [0,1,0,1,0,0|2,0,0]=4 14102 B16R1.1275 NC(=O)CCCCCSCCN1CCCC1 62a_100009817443_100000004467 [0,1,0,1,0,0|2,0,0]=4 14103 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [0,1,0,1,0,0|1,0,0]=3 14104 B16R1.1275 NC(=O)CCCCNCCCN1CCCC1 34a_100000696515_100016991639 [0,1,0,1,0,0|2,0,0]=4 14105 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [0,1,0,1,0,0|1,0,0]=3 14106 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [0,1,0,1,0,0|1,0,0]=3 14107 B16R1.1275 NC(=O)CCCCOCCCN1CCCC1 34a_100012022536_100016991639 [0,1,0,1,0,0|2,0,0]=4 14108 B16R1.1275 NC(=O)CCCCOCCCN1CCCC1 7a_100012022536_100011445909 [0,1,0,1,0,0|2,0,0]=4 14109 B16R1.1275 NC(=O)CCCNCCCOC1CCCC1 34a_100000747560_100102525003 [0,1,0,1,0,0|2,0,0]=4 14110 B16R1.1275 NC(=O)COCCNCCCC1CCCC1 2230a_100000736752_100000076697 [0,1,0,1,0,0|2,0,0]=4 14111 B16R1.1275 NC(=O)COCCNCCCC1CCCC1 34a_100000736752_100000076697 [0,1,0,1,0,0|2,0,0]=4 14112 B16R1.1275 NC(=O)COCCOCCCC1CCCC1 34a_100011215328_100000076697 [0,1,0,1,0,0|2,0,0]=4 14113 B16R1.1275 NC(=O)COCCOCCCC1CCCC1 7a_100011215328_100000076697 [0,1,0,1,0,0|2,0,0]=4 14114 B16R1.1275 NC(=O)COCCSCCCC1CCCC1 62a_100000076697_100011713738 [0,1,0,1,0,0|2,0,0]=4 14115 B16R1.1275 NC(=O)COCCSCCCC1CCCC1 62a_100011713738_100000076697 [0,1,0,1,0,0|2,0,0]=4 14116 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [0,1,0,1,0,0|1,0,0]=3 14117 B16R1.1275 O=C(O)COCCNCCCN1CCCC1 269956a_100000700818_100011445909 [0,1,0,1,0,0|2,0,0]=4 14118 B16R1.1275 O=C(O)COCCOCCNC1CCCC1 269956a_100009854275_100000179811 [0,1,0,1,0,0|2,0,0]=4 14119 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [0,1,0,1,0,0|0,0,1]=3 14120 B16R1.1275 O=C([O-])CCCCCOCCN1CCCC1 7a_100102619762_100000004467 [0,1,0,1,0,0|1,0,1]=4 14121 B16R1.1275 O=[N+]([O-])CCCCOCCCC1CCCC1 34a_200015379883_100011713738 [0,1,0,1,0,0|1,0,1]=4 14122 B16R1.1275 O=[N+]([O-])CCCCOCCCC1CCCC1 7a_200015379883_100011713738 [0,1,0,1,0,0|1,0,1]=4 14123 B16R1.1275 OB(O)CCCCCCNCC1CCCC1 2230a_100000737975_100009817187 [0,1,0,1,0,0|1,0,1]=4 14124 B16R1.1275 OB(O)CCCCCCNCC1CCCC1 34a_100000737975_100009817187 [0,1,0,1,0,0|1,0,1]=4 14125 B16R1.1275 OB(O)CCCCCCOCC1CCCC1 34a_100000742336_100009817187 [0,1,0,1,0,0|1,0,1]=4 14126 B16R1.1275 OB(O)CCCCCCOCC1CCCC1 7a_100000742336_100009817187 [0,1,0,1,0,0|1,0,1]=4 14127 B16R1.1275 OB(O)CCCCCCSCC1CCCC1 62a_100000740388_100009817187 [0,1,0,1,0,0|1,0,1]=4 14128 B16R1.1275 OB(O)CCCCCCSCC1CCCC1 62a_100009817187_100000740388 [0,1,0,1,0,0|1,0,1]=4 14129 B16R1.1275 OB(O)CCCCCNCCC1CCCC1 2230a_100000739158_200009817188 [0,1,0,1,0,0|1,0,1]=4 14130 B16R1.1275 OB(O)CCCCCNCCC1CCCC1 34a_100000739158_200009817188 [0,1,0,1,0,0|1,0,1]=4 14131 B16R1.1275 OB(O)CCCCCOCCC1CCCC1 34a_100000749090_200009817188 [0,1,0,1,0,0|1,0,1]=4 14132 B16R1.1275 OB(O)CCCCCOCCC1CCCC1 7a_100000749090_200009817188 [0,1,0,1,0,0|1,0,1]=4 14133 B16R1.1275 OB(O)CCCCCSCCC1CCCC1 62a_100000760354_200009817188 [0,1,0,1,0,0|1,0,1]=4 14134 B16R1.1275 OB(O)CCCCCSCCC1CCCC1 62a_200009817188_100000760354 [0,1,0,1,0,0|1,0,1]=4 14135 B16R1.1275 OB(O)CCCCNCCCC1CCCC1 2230a_100000736752_200009817182 [0,1,0,1,0,0|1,0,1]=4 14136 B16R1.1275 OB(O)CCCCNCCCC1CCCC1 34a_100000736752_200009817182 [0,1,0,1,0,0|1,0,1]=4 14137 B16R1.1275 OB(O)CCCCOCCCC1CCCC1 34a_100011215328_200009817182 [0,1,0,1,0,0|1,0,1]=4 14138 B16R1.1275 OB(O)CCCCOCCCC1CCCC1 7a_100011215328_200009817182 [0,1,0,1,0,0|1,0,1]=4 14139 B16R1.1275 OB(O)CCCCSCCCC1CCCC1 62a_100011713738_200009817182 [0,1,0,1,0,0|1,0,1]=4 14140 B16R1.1275 OB(O)CCCCSCCCC1CCCC1 62a_200009817182_100011713738 [0,1,0,1,0,0|1,0,1]=4 14141 B16R1.1554 CCCC(C)CN1CCCCC1CC(=O)N 2230a_100015184752_100011216630 [0,1,0,1,0,0|2,0,0]=4 14142 B16R1.1554 CCCC(C)CN1CCCCC1CC(=O)N 269982a_100015184752_100011216630 [0,1,0,1,0,0|2,0,0]=4 14143 B16R1.1554 CCCC(C)CN1CCCCC1CC(=O)N 270004a_100015184752_100000243154 [0,1,0,1,0,0|2,0,0]=4 14144 B16R1.1554 CCCC(C)CN1CCCCC1CC(=O)N 34a_100015184752_100011216630 [0,1,0,1,0,0|2,0,0]=4 14145 B16R1.4440 CCCC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000747444 [0,1,0,1,0,0|1,0,1]=4 14146 B16R1.4440 CCCC(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011216630 [0,1,0,1,0,0|1,0,0]=3 14147 B16R1.4440 COCC(O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215053 [0,1,0,1,0,0|2,0,0]=4 14148 B16R1.7460 CC(=O)CCCCOC1CCC(CC1C)C 34a_100011539931_100009817362 [0,1,0,1,0,0|2,0,0]=4 14149 B16R1.7460 CC(=O)CCCCOC1CCC(CC1C)C 7a_100011539931_100000735457 [0,1,0,1,0,0|2,0,0]=4 14150 B16R1.8794 CC1CCCN(CC1)CCCCCC(=O)N 2230a_100025706717_100009817443 [0,1,0,1,0,0|2,0,0]=4 14151 B16R1.8794 CC1CCCN(CC1)CCCCCC(=O)N 269982a_100025706717_100009817443 [0,1,0,1,0,0|2,0,0]=4 14152 B16R1.8794 CC1CCCN(CC1)CCCCCC(=O)N 34a_100025706717_100009817443 [0,1,0,1,0,0|2,0,0]=4 14153 B16R1.8794 NC(=O)CCCCCN1CCCC(CC1)O 2230a_100015186869_100009817443 [0,1,0,1,0,0|2,0,0]=4 14154 B16R1.8794 NC(=O)CCCCCN1CCCC(CC1)O 269982a_100015186869_100009817443 [0,1,0,1,0,0|2,0,0]=4 14155 B16R1.8962 CC(C)CCCCCCNCC1CC(=O)C1 2230a_100000211014_100009874392 [0,1,0,1,0,0|2,0,0]=4 14156 B16R1.14998 CCCC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000747444 [0,1,0,1,0,0|1,0,1]=4 14157 B16R1.14998 CCCC(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100011216630 [0,1,0,1,0,0|1,0,0]=3 14158 B16R1.14998 COCC(O)CN1CCCCCC1C(=O)O 269956a_100000758484_100011215053 [0,1,0,1,0,0|2,0,0]=4 14159 B16R1.92 CCCCCCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210614 [0,1,0,1,0,0|1,0,1]=4 14160 B16R1.610 CC(=O)CCCCC(=O)CC1CCCCC1 1458a_100000211666_100000735457 [0,1,0,1,0,0|1,0,1]=4 14161 B16R1.610 CC(=O)CCCCN(C)CC1CCCCC1 269982a_100000736448_100000735457 [0,1,0,1,0,0|2,0,0]=4 14162 B16R1.610 CC(=O)CCCCN(C)CC1CCCCC1 34a_100000736448_100009817362 [0,1,0,1,0,0|2,0,0]=4 14163 B16R1.610 NC(=O)CCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100000731001 [0,1,0,1,0,0|2,0,0]=4 14164 B16R1.692 CCCCCCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210614 [0,1,0,1,0,0|1,0,1]=4 14165 B16R1.692 CCCCCCCC(=O)CC1CNC(=O)O1 1458a_100000211969_100000181169 [0,1,0,1,0,0|1,0,1]=4 14166 B16R1.692 CCCCCCCC(=O)CC1COC(=O)O1 1458a_100000211969_100000073702 [0,1,0,1,0,0|1,0,1]=4 14167 B16R1.692 CCCCCCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211969_100015189358 [0,1,0,1,0,0|1,0,1]=4 14168 B16R1.692 CCCCCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011218727 [0,1,0,1,0,0|2,0,0]=4 14169 B16R1.692 CCCCCCCC(C)OC1COC(=O)O1 34a_200011215852_100000032252 [0,1,0,1,0,0|2,0,0]=4 14170 B16R1.692 CCCCCCCC(C)SC1COC(=O)O1 62a_200011218727_100000032252 [0,1,0,1,0,0|2,0,0]=4 14171 B16R1.692 CCCCCCCN(C)CC1CNC(=O)O1 2230a_100000228206_100000181169 [0,1,0,1,0,0|2,0,0]=4 14172 B16R1.692 CCCCCCCN(C)CC1CNC(=O)O1 269982a_100000228206_100000181169 [0,1,0,1,0,0|2,0,0]=4 14173 B16R1.692 CCCCCCCN(C)CC1COC(=O)O1 269982a_100000228206_100000073702 [0,1,0,1,0,0|2,0,0]=4 14174 B16R1.692 CCCCCCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000228206_100015189358 [0,1,0,1,0,0|2,0,0]=4 14175 B16R1.692 CCCCCCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000228206_100015189358 [0,1,0,1,0,0|2,0,0]=4 14176 B16R1.1291 CC(=O)CCCCC(=O)CCC1CCCC1 1458a_100000211120_100000735457 [0,1,0,1,0,0|1,0,1]=4 14177 B16R1.10817 CC(=O)CCCCC(=O)C1CCCCC1C 1458a_100011215568_100000735457 [0,1,0,1,0,0|1,0,1]=4 14178 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [0,1,0,1,0,0|1,0,0]=3 14179 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [0,1,0,1,0,0|1,0,0]=3 14180 B16R1.12272 CC(=O)OCCCN1CCCCCCCC1 269982a_100000039187_100000042594 [0,1,0,1,0,0|2,0,0]=4 14181 B16R1.12272 CC(=O)OCCCN1CCCCCCCC1 34a_100000039187_100000042594 [0,1,0,1,0,0|2,0,0]=4 14182 B16R1.12272 CC(=O)SCCCN1CCCCCCCC1 2230a_100000039187_100000038929 [0,1,0,1,0,0|2,0,0]=4 14183 B16R1.12272 CC(=O)SCCCN1CCCCCCCC1 269982a_100000039187_100000038929 [0,1,0,1,0,0|2,0,0]=4 14184 B16R1.12272 CC(=O)SCCCN1CCCCCCCC1 34a_100000039187_100000038929 [0,1,0,1,0,0|2,0,0]=4 14185 B16R1.12272 CS(=O)CCCNC1CCCCCCCC1 270004a_200000753449_100000038600 [0,1,0,1,0,0|2,0,0]=4 14186 B16R1.12272 NC(=O)COCCN1CCCCCCCC1 2230a_100000039187_100000076697 [0,1,0,1,0,0|2,0,0]=4 14187 B16R1.12272 NC(=O)COCCN1CCCCCCCC1 269982a_100000039187_100000076697 [0,1,0,1,0,0|2,0,0]=4 14188 B16R1.12272 NC(=O)COCCN1CCCCCCCC1 34a_100000039187_100000076697 [0,1,0,1,0,0|2,0,0]=4 14189 B16R1.12272 OB(O)CCCCN1CCCCCCCC1 2230a_100000039187_200009817182 [0,1,0,1,0,0|1,0,1]=4 14190 B16R1.12272 OB(O)CCCCN1CCCCCCCC1 269982a_100000039187_200009817182 [0,1,0,1,0,0|1,0,1]=4 14191 B16R1.12272 OB(O)CCCCN1CCCCCCCC1 34a_100000039187_200009817182 [0,1,0,1,0,0|1,0,1]=4 14192 B16R1.12677 CC1CCCC(N1CCCCCF)C(=O)O 269956a_100000704260_100000729378 [0,1,0,1,0,0|2,0,0]=4 14193 B16R1.12677 CC1CCCC(N1CCCCCO)C(=O)O 269956a_100000704260_100000746330 [0,1,0,1,0,0|2,0,0]=4 14194 B16R1.12677 CCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210757 [0,1,0,1,0,0|1,0,0]=3 14195 B16R1.12677 CCCCOCN1C(CCCC1C(=O)O)C 269956a_100000704260_100011995733 [0,1,0,1,0,0|2,0,0]=4 14196 B16R1.12677 CCCOCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100011215938 [0,1,0,1,0,0|2,0,0]=4 14197 B16R1.12677 CCOCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100012232248 [0,1,0,1,0,0|2,0,0]=4 14198 B16R1.12677 COCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000730899 [0,1,0,1,0,0|2,0,0]=4 14199 B16R1.13408 CCCCCCCC(C)OCC1CC(=O)C1 34a_100000101936_200011218727 [0,1,0,1,0,0|2,0,0]=4 14200 B16R1.13408 CCCCCCCC(C)OCC1CC(=O)C1 7a_200011215852_100009874392 [0,1,0,1,0,0|2,0,0]=4 14201 B16R1.13408 CCCCCCCC(C)SCC1CC(=O)C1 62a_100009874392_200011218727 [0,1,0,1,0,0|2,0,0]=4 14202 B16R1.13408 CCCCCCCC(C)SCC1CC(=O)C1 62a_200011218727_100009874392 [0,1,0,1,0,0|2,0,0]=4 14203 B16R1.40712 CCCCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011218727 [0,1,0,1,0,0|1,0,0]=3 14204 B16R1.57923 CC(=O)CCCCC(=O)C1CCCCCC1 1458a_100000749507_100000735457 [0,1,0,1,0,0|1,0,1]=4 14205 B16R1.57923 CC(=O)CCCCN(C)C1CCCCCC1 269982a_100015185097_100000735457 [0,1,0,1,0,0|2,0,0]=4 14206 B16R1.57923 CC(=O)CCCCN(C)C1CCCCCC1 34a_100015185097_100009817362 [0,1,0,1,0,0|2,0,0]=4 14207 B16R1.27 CCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100011214924 [0,1,0,1,0,0|1,0,1]=4 14208 B16R1.27 CCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000210670 [0,1,0,1,0,0|1,0,1]=4 14209 B16R1.27 CCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011214924 [0,1,0,1,0,0|2,0,0]=4 14210 B16R1.27 CCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011214924 [0,1,0,1,0,0|2,0,0]=4 14211 B16R1.27 CCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000210759 [0,1,0,1,0,0|1,0,1]=4 14212 B16R1.27 CCCCCCCCNC1CCCC(C1)O 270004a_100000229939_100012613340 [0,1,0,1,0,0|1,0,1]=4 14213 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210759 [0,1,0,1,0,0|2,0,0]=4 14214 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210759 [0,1,0,1,0,0|2,0,0]=4 14215 B16R1.27 CCCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210759 [0,1,0,1,0,0|2,0,0]=4 14216 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,1,0,1,0,0|1,0,0]=3 14217 B16R1.27 CCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210759 [0,1,0,1,0,0|2,0,0]=4 14218 B16R1.27 CCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000210681 [0,1,0,1,0,0|1,0,1]=4 14219 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [0,1,0,1,0,0|1,0,0]=3 14220 B16R1.27 CCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210614 [0,1,0,1,0,0|2,0,0]=4 14221 B16R1.27 CCCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210614 [0,1,0,1,0,0|2,0,0]=4 14222 B16R1.27 CCCCOCCOCC1CCCC(=O)N1 34a_200000102386_100000743108 [0,1,0,1,0,0|2,0,0]=4 14223 B16R1.27 COCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011998445 [0,1,0,1,0,0|2,0,0]=4 14224 B16R1.27 O=C1CCCC(C1)OCCCCCCCO 34a_100012613340_100000760002 [0,1,0,1,0,0|2,0,0]=4 14225 B16R1.27 O=C1CCCC(N1)COCCCCCCF 34a_200000102386_100015922095 [0,1,0,1,0,0|2,0,0]=4 14226 B16R1.27 O=C1CCCC(N1)COCCCCCCO 34a_200000102386_100000766143 [0,1,0,1,0,0|2,0,0]=4 14227 B16R1.57 CC(=O)CCCCOC1CCCCC1CN 34a_100011216029_100009817362 [0,1,0,1,0,0|2,0,0]=4 14228 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [0,1,0,1,0,0|1,0,0]=3 14229 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [0,1,0,1,0,0|1,0,0]=3 14230 B16R1.57 CCC1CCCCC1NCCCNC(=O)C 269862a_100000736810_100000757040 [0,1,0,1,0,0|2,0,0]=4 14231 B16R1.57 CCC1CCCCC1NCCCNC(=O)C 270004a_100000736810_100000757040 [0,1,0,1,0,0|2,0,0]=4 14232 B16R1.57 CCC1CCCCC1OCCCCB(O)O 34a_100000210738_200009817182 [0,1,0,1,0,0|1,0,1]=4 14233 B16R1.57 CCC1CCCCC1OCCCCB(O)O 7a_100000210738_200009817182 [0,1,0,1,0,0|1,0,1]=4 14234 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [0,1,0,1,0,0|1,0,0]=3 14235 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [0,1,0,1,0,0|1,0,0]=3 14236 B16R1.57 CCC1CCCCC1OCCCOC(=O)C 34a_100000210738_100000042594 [0,1,0,1,0,0|2,0,0]=4 14237 B16R1.57 CCC1CCCCC1OCCCOC(=O)C 7a_100000210738_100000042594 [0,1,0,1,0,0|2,0,0]=4 14238 B16R1.57 CCC1CCCCC1OCCCSC(=O)C 34a_100000210738_100000038929 [0,1,0,1,0,0|2,0,0]=4 14239 B16R1.57 CCC1CCCCC1OCCCSC(=O)C 7a_100000210738_100000038929 [0,1,0,1,0,0|2,0,0]=4 14240 B16R1.57 CCC1CCCCC1OCCOCC(=O)N 34a_100000210738_100000076697 [0,1,0,1,0,0|2,0,0]=4 14241 B16R1.57 CCC1CCCCC1OCCOCC(=O)N 7a_100000210738_100000076697 [0,1,0,1,0,0|2,0,0]=4 14242 B16R1.57 CCC1CCCCN1CCCCCB(O)O 2230a_100000210034_200009817188 [0,1,0,1,0,0|1,0,1]=4 14243 B16R1.57 CCC1CCCCN1CCCCCB(O)O 269982a_100000210034_200009817188 [0,1,0,1,0,0|1,0,1]=4 14244 B16R1.57 CCC1CCCCN1CCCCCB(O)O 34a_100000210034_200009817188 [0,1,0,1,0,0|1,0,1]=4 14245 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [0,1,0,1,0,0|1,0,0]=3 14246 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [0,1,0,1,0,0|1,0,0]=3 14247 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [0,1,0,1,0,0|1,0,0]=3 14248 B16R1.57 CCC1CCCCN1CCCCOC(=O)C 269982a_100000210034_100000033659 [0,1,0,1,0,0|2,0,0]=4 14249 B16R1.57 CCC1CCCCN1CCCCOC(=O)C 34a_100000210034_100000033659 [0,1,0,1,0,0|2,0,0]=4 14250 B16R1.57 CCC1CCCCN1CCCCSC(=O)C 2230a_100000210034_200010402107 [0,1,0,1,0,0|2,0,0]=4 14251 B16R1.57 CCC1CCCCN1CCCCSC(=O)C 269982a_100000210034_200010402107 [0,1,0,1,0,0|2,0,0]=4 14252 B16R1.57 CCC1CCCCN1CCCCSC(=O)C 34a_100000210034_200010402107 [0,1,0,1,0,0|2,0,0]=4 14253 B16R1.57 CCC1CCCCN1CCCNCC(=O)N 34a_100011191702_100000187820 [0,1,0,1,0,0|2,0,0]=4 14254 B16R1.57 CCC1CCCCN1CCCNCC(=O)[O-] 34a_100011191702_100020667443 [0,1,0,1,0,0|1,0,1]=4 14255 B16R1.57 CCC1CCCCN1CCNCCC(=O)N 2230a_100000755458_100000744528 [0,1,0,1,0,0|2,0,0]=4 14256 B16R1.57 CCC1CCCCN1CCNCCC(=O)N 34a_100000755458_100000731001 [0,1,0,1,0,0|2,0,0]=4 14257 B16R1.57 CCN1CCCCC1CNCCCC(=O)C 34a_100000754393_100000685027 [0,1,0,1,0,0|2,0,0]=4 14258 B16R1.57 CCN1CCCCC1CNCCCC(=O)N 34a_100000754393_100102525003 [0,1,0,1,0,0|2,0,0]=4 14259 B16R1.57 CCN1CCCCC1COCCCC(=O)C 34a_100000225091_100000685027 [0,1,0,1,0,0|2,0,0]=4 14260 B16R1.57 CCN1CCCCC1COCCCC(=O)C 7a_100000225091_100011215641 [0,1,0,1,0,0|2,0,0]=4 14261 B16R1.57 CCN1CCCCC1COCCCC(=O)N 34a_100000225091_100102525003 [0,1,0,1,0,0|2,0,0]=4 14262 B16R1.57 CCN1CCCCC1COCCCC(=O)N 7a_100000225091_100102525003 [0,1,0,1,0,0|2,0,0]=4 14263 B16R1.57 CC[C@H]1COCCN1CCCCCC(=O)N 2230a_100016988097_100009817443 [0,1,0,1,0,0|2,0,0]=4 14264 B16R1.57 CC[C@H]1COCCN1CCCCCC(=O)N 269982a_100016988097_100009817443 [0,1,0,1,0,0|2,0,0]=4 14265 B16R1.57 CC[C@H]1COCCN1CCCCCC(=O)N 34a_100016988097_100009817443 [0,1,0,1,0,0|2,0,0]=4 14266 B16R1.57 CN[C@@H]1CCCC[C@H]1OCCCCC(=O)C 34a_100000708425_100009817362 [0,1,0,1,0,0|2,0,0]=4 14267 B16R1.57 COC1CCCCC1NCCCCC(=O)C 34a_100011208099_100009817362 [0,1,0,1,0,0|2,0,0]=4 14268 B16R1.57 COC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000740605 [0,1,0,1,0,0|2,0,0]=4 14269 B16R1.57 CO[C@H]1CCCC[C@@H]1OCCCCC(=O)C 34a_200009815850_100009817362 [0,1,0,1,0,0|2,0,0]=4 14270 B16R1.57 CO[C@H]1CCCC[C@@H]1OCCCCC(=O)C 7a_200009815850_100000735457 [0,1,0,1,0,0|2,0,0]=4 14271 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 2230a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 14272 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 269982a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 14273 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 34a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 14274 B16R1.57 NC(=O)CCCCNC1CCCCC1CO 270004a_100000696515_100009861125 [0,1,0,1,0,0|2,0,0]=4 14275 B16R1.250 C=C1CC(C1)CNCCCCCCCCC 2230a_100102567296_100011214924 [0,1,0,1,0,0|2,0,0]=4 14276 B16R1.250 C=C1CC(C1)CNCCCCCCCCC 34a_100102567296_100011214924 [0,1,0,1,0,0|2,0,0]=4 14277 B16R1.250 C=C1CC(C1)COCCCCCCCCC 34a_100011011225_100011214924 [0,1,0,1,0,0|2,0,0]=4 14278 B16R1.250 C=C1CC(C1)NCCCCCCCCCC 2230a_100132301982_100000210320 [0,1,0,1,0,0|2,0,0]=4 14279 B16R1.250 CCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100011215454 [0,1,0,1,0,0|1,0,1]=4 14280 B16R1.250 CCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210320 [0,1,0,1,0,0|1,0,1]=4 14281 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [0,1,0,1,0,0|1,0,0]=3 14282 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [0,1,0,1,0,0|1,0,0]=3 14283 B16R1.250 CCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100011214924 [0,1,0,1,0,0|1,0,1]=4 14284 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [0,1,0,1,0,0|1,0,0]=3 14285 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [0,1,0,1,0,0|1,0,0]=3 14286 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [0,1,0,1,0,0|1,0,0]=3 14287 B16R1.250 CCCCCCOCCOCC1CC(=O)C1 7a_100000691444_100009874392 [0,1,0,1,0,0|2,0,0]=4 14288 B16R1.250 CCCCOCCCCOCC1CC(=O)C1 7a_200000760531_100009874392 [0,1,0,1,0,0|2,0,0]=4 14289 B16R1.250 O=C1CC(C1)CNCCCCCCCCO 2230a_102515433106_100009874392 [0,1,0,1,0,0|2,0,0]=4 14290 B16R1.250 O=C1CC(C1)COCCCCCCCCBr 7a_100009813846_100009874392 [0,1,0,1,0,0|2,0,0]=4 14291 B16R1.250 O=C1CC(C1)COCCCCCCCCCl 7a_100000033203_100009874392 [0,1,0,1,0,0|2,0,0]=4 14292 B16R1.250 O=C1CC(C1)COCCCCCCCCO 34a_100000101936_100000033203 [0,1,0,1,0,0|2,0,0]=4 14293 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100000033203_100009874392 [0,1,0,1,0,0|2,0,0]=4 14294 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100009874392_100000033203 [0,1,0,1,0,0|2,0,0]=4 14295 B16R1.250 O=C1CC(C1)SCCCCCCCCCO 62a_100009894365_100009813782 [0,1,0,1,0,0|2,0,0]=4 14296 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [0,1,0,1,0,0|1,0,0]=3 14297 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [0,1,0,1,0,0|1,0,0]=3 14298 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [0,1,0,1,0,0|1,0,0]=3 14299 B16R1.270 CCCCOCN1CCCCC1CC(=O)N 2230a_100015184752_100011995733 [0,1,0,1,0,0|2,0,0]=4 14300 B16R1.270 CCCCOCN1CCCCC1CC(=O)N 269982a_100015184752_100011995733 [0,1,0,1,0,0|2,0,0]=4 14301 B16R1.270 CCCCOCN1CCCCC1CC(=O)N 34a_100015184752_100011995733 [0,1,0,1,0,0|2,0,0]=4 14302 B16R1.270 CCCOCCN1CCCCC1CC(=O)N 2230a_100015184752_100011215938 [0,1,0,1,0,0|2,0,0]=4 14303 B16R1.270 CCCOCCN1CCCCC1CC(=O)N 269982a_100015184752_100011215938 [0,1,0,1,0,0|2,0,0]=4 14304 B16R1.270 CCCOCCN1CCCCC1CC(=O)N 34a_100015184752_100011215938 [0,1,0,1,0,0|2,0,0]=4 14305 B16R1.270 CCOCCCN1CCCCC1CC(=O)N 2230a_100015184752_100012232248 [0,1,0,1,0,0|2,0,0]=4 14306 B16R1.270 CCOCCCN1CCCCC1CC(=O)N 269982a_100015184752_100012232248 [0,1,0,1,0,0|2,0,0]=4 14307 B16R1.270 CCOCCCN1CCCCC1CC(=O)N 34a_100015184752_100012232248 [0,1,0,1,0,0|2,0,0]=4 14308 B16R1.270 COCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000730899 [0,1,0,1,0,0|2,0,0]=4 14309 B16R1.270 COCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000730899 [0,1,0,1,0,0|2,0,0]=4 14310 B16R1.270 COCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000755781 [0,1,0,1,0,0|2,0,0]=4 14311 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 2230a_100015184752_100000729378 [0,1,0,1,0,0|2,0,0]=4 14312 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 269982a_100015184752_100000729378 [0,1,0,1,0,0|2,0,0]=4 14313 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 34a_100015184752_100000729378 [0,1,0,1,0,0|2,0,0]=4 14314 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 2230a_100015184752_100000746330 [0,1,0,1,0,0|2,0,0]=4 14315 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 269982a_100015184752_100000746330 [0,1,0,1,0,0|2,0,0]=4 14316 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 34a_100015184752_100000746330 [0,1,0,1,0,0|2,0,0]=4 14317 B16R1.283 CCCCCCC1CCCC1NCC(C)O 269862a_100000210904_100000189428 [0,1,0,1,0,0|1,0,1]=4 14318 B16R1.283 CCCCCCC1CCCC1NCC(C)O 270004a_100000210904_100000189428 [0,1,0,1,0,0|1,0,1]=4 14319 B16R1.290 CC(=O)CCCCNCC1CCCCC1O 34a_100011216029_100009817362 [0,1,0,1,0,0|2,0,0]=4 14320 B16R1.290 CC(=O)CCCCNCC1CCCCN1C 34a_100011228421_100009817362 [0,1,0,1,0,0|2,0,0]=4 14321 B16R1.290 CC(=O)CCCCOCC1CCCCN1C 34a_100000225079_100009817362 [0,1,0,1,0,0|2,0,0]=4 14322 B16R1.290 CC(=O)CCCCSCC1CCCCN1C 62a_100000735457_100015185383 [0,1,0,1,0,0|2,0,0]=4 14323 B16R1.290 CC(=O)CCCCSCC1CCCCN1C 62a_100015185383_100000735457 [0,1,0,1,0,0|2,0,0]=4 14324 B16R1.290 CC(=O)CCCNCCN1CCCCC1C 34a_100000739827_100000685027 [0,1,0,1,0,0|2,0,0]=4 14325 B16R1.290 CC(=O)CCCOCCC1CCCCN1C 34a_100000759063_100000211948 [0,1,0,1,0,0|2,0,0]=4 14326 B16R1.290 CC(=O)CCCOCCC1CCCCN1C 7a_100000759063_100000211948 [0,1,0,1,0,0|2,0,0]=4 14327 B16R1.290 CC(=O)CCCOCCN1CCCCC1C 34a_100011305533_100000685027 [0,1,0,1,0,0|2,0,0]=4 14328 B16R1.290 CC(=O)CCCSCCC1CCCCN1C 62a_100000211948_100011215641 [0,1,0,1,0,0|2,0,0]=4 14329 B16R1.290 CC(=O)CCCSCCC1CCCCN1C 62a_100011215641_100000211948 [0,1,0,1,0,0|2,0,0]=4 14330 B16R1.290 CC(=O)CCOCCCN1CCCCC1C 7a_100000213889_100000053229 [0,1,0,1,0,0|2,0,0]=4 14331 B16R1.290 CC(=O)NCCCCNC1CCCCC1C 269862a_200011368371_100000210921 [0,1,0,1,0,0|2,0,0]=4 14332 B16R1.290 CC(=O)NCCCCNC1CCCCC1C 270004a_200011368371_100000210921 [0,1,0,1,0,0|2,0,0]=4 14333 B16R1.290 CC(=O)OCCCCCN1CCCCC1C 2230a_100000211376_100009813381 [0,1,0,1,0,0|2,0,0]=4 14334 B16R1.290 CC(=O)OCCCCCN1CCCCC1C 269982a_100000211376_100000033007 [0,1,0,1,0,0|2,0,0]=4 14335 B16R1.290 CC(=O)OCCCCCN1CCCCC1C 34a_100000211376_100000033007 [0,1,0,1,0,0|2,0,0]=4 14336 B16R1.290 CC(=O)OCCCCNC1CCCCC1C 34a_100000211402_100000033659 [0,1,0,1,0,0|2,0,0]=4 14337 B16R1.290 CC(=O)OCCCCOC1CCCCC1C 34a_100000211207_100000033659 [0,1,0,1,0,0|2,0,0]=4 14338 B16R1.290 CC(=O)OCCCCOC1CCCCC1C 7a_100000211207_100000033659 [0,1,0,1,0,0|2,0,0]=4 14339 B16R1.290 CC(=O)SCCCCNC1CCCCC1C 2230a_100000211402_200010402107 [0,1,0,1,0,0|2,0,0]=4 14340 B16R1.290 CC(=O)SCCCCNC1CCCCC1C 34a_100000211402_200010402107 [0,1,0,1,0,0|2,0,0]=4 14341 B16R1.290 CC(=O)SCCCCOC1CCCCC1C 34a_100000211207_200010402107 [0,1,0,1,0,0|2,0,0]=4 14342 B16R1.290 CC(=O)SCCCCOC1CCCCC1C 7a_100000211207_200010402107 [0,1,0,1,0,0|2,0,0]=4 14343 B16R1.290 CC1CCCCC1NCCCCCB(O)O 2230a_100000211402_200009817188 [0,1,0,1,0,0|1,0,1]=4 14344 B16R1.290 CC1CCCCC1NCCCCCB(O)O 34a_100000211402_200009817188 [0,1,0,1,0,0|1,0,1]=4 14345 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [0,1,0,1,0,0|1,0,0]=3 14346 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [0,1,0,1,0,0|1,0,0]=3 14347 B16R1.290 CC1CCCCC1OCCCCCB(O)O 34a_100000211207_200009817188 [0,1,0,1,0,0|1,0,1]=4 14348 B16R1.290 CC1CCCCC1OCCCCCB(O)O 7a_100000211207_200009817188 [0,1,0,1,0,0|1,0,1]=4 14349 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [0,1,0,1,0,0|1,0,0]=3 14350 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [0,1,0,1,0,0|1,0,0]=3 14351 B16R1.290 CC1CCCCN1CCCCCCB(O)O 2230a_100000211376_100009817187 [0,1,0,1,0,0|1,0,1]=4 14352 B16R1.290 CC1CCCCN1CCCCCCB(O)O 269982a_100000211376_100009817187 [0,1,0,1,0,0|1,0,1]=4 14353 B16R1.290 CC1CCCCN1CCCCCCB(O)O 34a_100000211376_100009817187 [0,1,0,1,0,0|1,0,1]=4 14354 B16R1.290 CC1CCCCN1CCCNCCC(=O)N 34a_100000212276_100000731001 [0,1,0,1,0,0|2,0,0]=4 14355 B16R1.290 CC1CCCCN1CCCOCCC(=O)N 34a_100000213889_100000731001 [0,1,0,1,0,0|2,0,0]=4 14356 B16R1.290 CC1CCCCN1CCCOCCC(=O)N 7a_100000213889_100000744528 [0,1,0,1,0,0|2,0,0]=4 14357 B16R1.290 CC1CCCCN1CCNCCCC(=O)N 34a_100000739827_100102525003 [0,1,0,1,0,0|2,0,0]=4 14358 B16R1.290 CC1CCCCN1CCOCCCC(=O)N 34a_100011305533_100102525003 [0,1,0,1,0,0|2,0,0]=4 14359 B16R1.290 CC1CCNCC1OCCCCCC(=O)N 34a_100000696640_100009817443 [0,1,0,1,0,0|2,0,0]=4 14360 B16R1.290 CC1CNCCC1OCCCCCC(=O)N 34a_100011998114_100009817443 [0,1,0,1,0,0|2,0,0]=4 14361 B16R1.290 CN1CCCCC1CCNCCCC(=O)N 34a_100000739312_100000211948 [0,1,0,1,0,0|2,0,0]=4 14362 B16R1.290 CN1CCCCC1CCSCCCC(=O)N 62a_100000211948_100102525003 [0,1,0,1,0,0|2,0,0]=4 14363 B16R1.290 CN1CCCCC1CCSCCCC(=O)N 62a_100102525003_100000211948 [0,1,0,1,0,0|2,0,0]=4 14364 B16R1.290 CN1CCCCC1CNCCCCC(=O)N 34a_100000696515_100015186950 [0,1,0,1,0,0|2,0,0]=4 14365 B16R1.290 CN1CCCCC1CNCCOCC(=O)O 269956a_100000700818_100015185383 [0,1,0,1,0,0|2,0,0]=4 14366 B16R1.290 CN1CCCCC1COCCCCC(=O)N 34a_100012022536_100015186950 [0,1,0,1,0,0|2,0,0]=4 14367 B16R1.290 CN1CCCCC1COCCCCC(=O)N 7a_100012022536_100015185383 [0,1,0,1,0,0|2,0,0]=4 14368 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817443 [0,1,0,1,0,0|2,0,0]=4 14369 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817443 [0,1,0,1,0,0|2,0,0]=4 14370 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 34a_100000038908_100009817443 [0,1,0,1,0,0|2,0,0]=4 14371 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 7a_100000038908_100009817443 [0,1,0,1,0,0|2,0,0]=4 14372 B16R1.290 NC(=O)CCCCCOC1CCCCC1F 34a_100000123541_100015423560 [0,1,0,1,0,0|2,0,0]=4 14373 B16R1.290 NC(=O)CCCCCOC1CCCCC1O 34a_100000123541_100000038908 [0,1,0,1,0,0|2,0,0]=4 14374 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817443 [0,1,0,1,0,0|2,0,0]=4 14375 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009817443 [0,1,0,1,0,0|2,0,0]=4 14376 B16R1.290 NC(=O)CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817443 [0,1,0,1,0,0|2,0,0]=4 14377 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100009817443_100015423560 [0,1,0,1,0,0|2,0,0]=4 14378 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100015423560_100009817443 [0,1,0,1,0,0|2,0,0]=4 14379 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100000038908_100009817443 [0,1,0,1,0,0|2,0,0]=4 14380 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100009817443_100000038908 [0,1,0,1,0,0|2,0,0]=4 14381 B16R1.596 C=C(C)CCOCCCCC1CCCCC1 34a_100011215267_100000730704 [0,1,0,1,0,0|2,0,0]=4 14382 B16R1.596 C=C(C)CCOCCCCC1CCCCC1 7a_100011215267_100000730704 [0,1,0,1,0,0|2,0,0]=4 14383 B16R1.596 CC(=O)CCCCCCOC1CCCCO1 1458a_100000070787_100000033462 [0,1,0,1,0,0|2,0,0]=4 14384 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [0,1,0,1,0,0|1,0,0]=3 14385 B16R1.596 CC(=O)CCCCNCCC1CCCCO1 34a_100015183643_100009817362 [0,1,0,1,0,0|2,0,0]=4 14386 B16R1.596 CC(=O)CCCCNCCC1CCOCC1 34a_100000755988_100009817362 [0,1,0,1,0,0|2,0,0]=4 14387 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [0,1,0,1,0,0|1,0,0]=3 14388 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [0,1,0,1,0,0|1,0,0]=3 14389 B16R1.596 CC(=O)CCCCOCCC1CCCCN1 34a_100000211664_100009817362 [0,1,0,1,0,0|2,0,0]=4 14390 B16R1.596 CC(=O)CCCCOCCC1CCCNC1 34a_100000752241_100009817362 [0,1,0,1,0,0|2,0,0]=4 14391 B16R1.596 CC(=O)CCCCOCCC1CCNCC1 34a_100015190746_100009817362 [0,1,0,1,0,0|2,0,0]=4 14392 B16R1.596 CC(=O)CCCCOCCC1CCOCC1 34a_100011933979_100009817362 [0,1,0,1,0,0|2,0,0]=4 14393 B16R1.596 CC(=O)CCCCOCCC1CCOCC1 7a_100011933979_100000735457 [0,1,0,1,0,0|2,0,0]=4 14394 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [0,1,0,1,0,0|1,0,0]=3 14395 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [0,1,0,1,0,0|1,0,0]=3 14396 B16R1.596 CC(=O)CCCCSCCC1CCOCC1 62a_100000735457_100011934994 [0,1,0,1,0,0|2,0,0]=4 14397 B16R1.596 CC(=O)CCCCSCCC1CCOCC1 62a_100011934994_100000735457 [0,1,0,1,0,0|2,0,0]=4 14398 B16R1.596 CC(=O)CCCCSCCN1CCCCC1 62a_100000735457_100000739454 [0,1,0,1,0,0|2,0,0]=4 14399 B16R1.596 CC(=O)CCCCSCCN1CCCCC1 62a_100000739454_100000735457 [0,1,0,1,0,0|2,0,0]=4 14400 B16R1.596 CC(=O)CCCCSCOC1CCCCC1 62a_100000735457_100011935260 [0,1,0,1,0,0|2,0,0]=4 14401 B16R1.596 CC(=O)CCCCSCOC1CCCCC1 62a_100011935260_100000735457 [0,1,0,1,0,0|2,0,0]=4 14402 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [0,1,0,1,0,0|1,0,0]=3 14403 B16R1.596 CC(=O)CCCNCCOC1CCCCC1 34a_100015206981_100000685027 [0,1,0,1,0,0|2,0,0]=4 14404 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [0,1,0,1,0,0|1,0,0]=3 14405 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [0,1,0,1,0,0|1,0,0]=3 14406 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [0,1,0,1,0,0|1,0,0]=3 14407 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [0,1,0,1,0,0|1,0,0]=3 14408 B16R1.596 CC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100000685027 [0,1,0,1,0,0|2,0,0]=4 14409 B16R1.596 CC(=O)CCCOCCCC1CCCNC1 34a_100150707839_100000685027 [0,1,0,1,0,0|2,0,0]=4 14410 B16R1.596 CC(=O)CCCOCCCC1CCNCC1 34a_100016988962_100000685027 [0,1,0,1,0,0|2,0,0]=4 14411 B16R1.596 CC(=O)CCCOCCCN1CCCCC1 34a_100000212458_100000685027 [0,1,0,1,0,0|2,0,0]=4 14412 B16R1.596 CC(=O)CCCOCCCN1CCCCC1 34a_100000759063_100000690320 [0,1,0,1,0,0|2,0,0]=4 14413 B16R1.596 CC(=O)CCCOCCCN1CCCCC1 7a_100000759063_100000007876 [0,1,0,1,0,0|2,0,0]=4 14414 B16R1.596 CC(=O)CCCOCCNC1CCCCC1 34a_100000200466_100000685027 [0,1,0,1,0,0|2,0,0]=4 14415 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 34a_100000759063_100011211530 [0,1,0,1,0,0|2,0,0]=4 14416 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 34a_100011249652_100000685027 [0,1,0,1,0,0|2,0,0]=4 14417 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 7a_100000759063_100011211530 [0,1,0,1,0,0|2,0,0]=4 14418 B16R1.596 CC(=O)CCCOCCOC1CCCCC1 7a_100011249652_100011215641 [0,1,0,1,0,0|2,0,0]=4 14419 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [0,1,0,1,0,0|1,0,0]=3 14420 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [0,1,0,1,0,0|1,0,0]=3 14421 B16R1.596 CC(=O)CCCSCCCN1CCCCC1 62a_100011215641_100000007876 [0,1,0,1,0,0|2,0,0]=4 14422 B16R1.596 CC(=O)CCCSCCCN1CCCCC1 62a_100132302099_100011215641 [0,1,0,1,0,0|2,0,0]=4 14423 B16R1.596 CC(=O)CCCSCCOC1CCCCC1 62a_100011211530_100011215641 [0,1,0,1,0,0|2,0,0]=4 14424 B16R1.596 CC(=O)CCCSCCOC1CCCCC1 62a_100011215641_100011211530 [0,1,0,1,0,0|2,0,0]=4 14425 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [0,1,0,1,0,0|1,0,0]=3 14426 B16R1.596 CC(=O)NCCCCCNC1CCCCC1 270004a_200012022750_100000210434 [0,1,0,1,0,0|2,0,0]=4 14427 B16R1.596 CC(=O)NCCCCCNC1CCCCC1 34a_200012022750_100000210327 [0,1,0,1,0,0|2,0,0]=4 14428 B16R1.596 CC(=O)NCCCCNCC1CCCCC1 2230a_200011368371_100000211423 [0,1,0,1,0,0|2,0,0]=4 14429 B16R1.596 CC(=O)NCCCCNCC1CCCCC1 269862a_200011368371_100000211278 [0,1,0,1,0,0|2,0,0]=4 14430 B16R1.596 CC(=O)NCCCCNCC1CCCCC1 34a_200011368371_100000211423 [0,1,0,1,0,0|2,0,0]=4 14431 B16R1.596 CC(=O)NCCCNCCC1CCCCC1 270004a_100000736810_100011713444 [0,1,0,1,0,0|2,0,0]=4 14432 B16R1.596 CC(=O)NCCCNCCC1CCCCC1 34a_100000736810_100011209188 [0,1,0,1,0,0|2,0,0]=4 14433 B16R1.596 CC(=O)NCCCOCCC1CCCCC1 34a_100000752032_100011209188 [0,1,0,1,0,0|2,0,0]=4 14434 B16R1.596 CC(=O)NCCNCCCC1CCCCC1 2230a_100000209853_100011713725 [0,1,0,1,0,0|2,0,0]=4 14435 B16R1.596 CC(=O)NCCNCCCC1CCCCC1 2230a_100011211642_100000189650 [0,1,0,1,0,0|2,0,0]=4 14436 B16R1.596 CC(=O)NCCOCCCC1CCCCC1 34a_100000158858_100011713725 [0,1,0,1,0,0|2,0,0]=4 14437 B16R1.596 CC(=O)NCCOCCCC1CCCCC1 7a_100000198086_100000189650 [0,1,0,1,0,0|2,0,0]=4 14438 B16R1.596 CC(=O)NCCSCCCC1CCCCC1 62a_100000189650_100011713725 [0,1,0,1,0,0|2,0,0]=4 14439 B16R1.596 CC(=O)NCCSCCCC1CCCCC1 62a_100011713725_100000189650 [0,1,0,1,0,0|2,0,0]=4 14440 B16R1.596 CC(=O)OCCCCCNC1CCCCC1 2230a_100000182618_100009813381 [0,1,0,1,0,0|2,0,0]=4 14441 B16R1.596 CC(=O)OCCCCCNC1CCCCC1 34a_100000182618_100000033007 [0,1,0,1,0,0|2,0,0]=4 14442 B16R1.596 CC(=O)OCCCCCOC1CCCCC1 34a_100000210231_100000033007 [0,1,0,1,0,0|2,0,0]=4 14443 B16R1.596 CC(=O)OCCCCCOC1CCCCC1 7a_100000210231_100000033007 [0,1,0,1,0,0|2,0,0]=4 14444 B16R1.596 CC(=O)OCCCCCSC1CCCCC1 62a_100000033007_100000210327 [0,1,0,1,0,0|2,0,0]=4 14445 B16R1.596 CC(=O)OCCCCCSC1CCCCC1 62a_100000210327_100000033007 [0,1,0,1,0,0|2,0,0]=4 14446 B16R1.596 CC(=O)OCCCCNCC1CCCCC1 34a_100000210473_100000033659 [0,1,0,1,0,0|2,0,0]=4 14447 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 34a_100000073216_100000211423 [0,1,0,1,0,0|2,0,0]=4 14448 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 34a_100000212181_100000033659 [0,1,0,1,0,0|2,0,0]=4 14449 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 7a_100000073216_100000211423 [0,1,0,1,0,0|2,0,0]=4 14450 B16R1.596 CC(=O)OCCCCOCC1CCCCC1 7a_100000212181_100000033659 [0,1,0,1,0,0|2,0,0]=4 14451 B16R1.596 CC(=O)OCCCCSCC1CCCCC1 62a_100000033659_100000211423 [0,1,0,1,0,0|2,0,0]=4 14452 B16R1.596 CC(=O)OCCCCSCC1CCCCC1 62a_100000211423_100000033659 [0,1,0,1,0,0|2,0,0]=4 14453 B16R1.596 CC(=O)OCCCNCCC1CCCCC1 34a_100000738074_100000042594 [0,1,0,1,0,0|2,0,0]=4 14454 B16R1.596 CC(=O)OCCCOCCC1CCCCC1 34a_100011217863_100000042594 [0,1,0,1,0,0|2,0,0]=4 14455 B16R1.596 CC(=O)OCCCOCCC1CCCCC1 7a_100011217863_100000042594 [0,1,0,1,0,0|2,0,0]=4 14456 B16R1.596 CC(=O)OCCCSCCC1CCCCC1 62a_100000042594_100012355289 [0,1,0,1,0,0|2,0,0]=4 14457 B16R1.596 CC(=O)OCCCSCCC1CCCCC1 62a_100012355289_100000042594 [0,1,0,1,0,0|2,0,0]=4 14458 B16R1.596 CC(=O)OCCNCCCC1CCCCC1 34a_100011211642_100009814007 [0,1,0,1,0,0|2,0,0]=4 14459 B16R1.596 CC(=O)OCCOCCCC1CCCCC1 34a_100000198086_100009814007 [0,1,0,1,0,0|2,0,0]=4 14460 B16R1.596 CC(=O)OCCOCCCC1CCCCC1 7a_100000198086_100009814007 [0,1,0,1,0,0|2,0,0]=4 14461 B16R1.596 CC(=O)OCCSCCCC1CCCCC1 62a_100009814007_100011713725 [0,1,0,1,0,0|2,0,0]=4 14462 B16R1.596 CC(=O)OCCSCCCC1CCCCC1 62a_100011713725_100009814007 [0,1,0,1,0,0|2,0,0]=4 14463 B16R1.596 CC(=O)OCOCCCCC1CCCCC1 34a_100011215267_100009813279 [0,1,0,1,0,0|2,0,0]=4 14464 B16R1.596 CC(=O)SCCCCNCC1CCCCC1 2230a_100000210473_200010402107 [0,1,0,1,0,0|2,0,0]=4 14465 B16R1.596 CC(=O)SCCCCNCC1CCCCC1 34a_100000210473_200010402107 [0,1,0,1,0,0|2,0,0]=4 14466 B16R1.596 CC(=O)SCCCCOCC1CCCCC1 34a_100000212181_200010402107 [0,1,0,1,0,0|2,0,0]=4 14467 B16R1.596 CC(=O)SCCCCOCC1CCCCC1 7a_100000212181_200010402107 [0,1,0,1,0,0|2,0,0]=4 14468 B16R1.596 CC(=O)SCCCCSCC1CCCCC1 62a_100000211423_200010402107 [0,1,0,1,0,0|2,0,0]=4 14469 B16R1.596 CC(=O)SCCCCSCC1CCCCC1 62a_200010402107_100000211423 [0,1,0,1,0,0|2,0,0]=4 14470 B16R1.596 CC(=O)SCCCNCCC1CCCCC1 2230a_100000738074_100000038929 [0,1,0,1,0,0|2,0,0]=4 14471 B16R1.596 CC(=O)SCCCNCCC1CCCCC1 34a_100000738074_100000038929 [0,1,0,1,0,0|2,0,0]=4 14472 B16R1.596 CC(=O)SCCCOCCC1CCCCC1 34a_100011217863_100000038929 [0,1,0,1,0,0|2,0,0]=4 14473 B16R1.596 CC(=O)SCCCOCCC1CCCCC1 7a_100011217863_100000038929 [0,1,0,1,0,0|2,0,0]=4 14474 B16R1.596 CC(=O)SCCCSCCC1CCCCC1 62a_100000038929_100012355289 [0,1,0,1,0,0|2,0,0]=4 14475 B16R1.596 CC(=O)SCCCSCCC1CCCCC1 62a_100012355289_100000038929 [0,1,0,1,0,0|2,0,0]=4 14476 B16R1.596 CC(O)CCCNCCCC1CCCCC1 2230a_100011211642_200000718107 [0,1,0,1,0,0|1,0,1]=4 14477 B16R1.596 CC(O)CCCNCCCC1CCCCC1 34a_100011211642_200000718107 [0,1,0,1,0,0|1,0,1]=4 14478 B16R1.596 CC(O)CCCOCCCC1CCCCC1 34a_100000198086_200000718107 [0,1,0,1,0,0|1,0,1]=4 14479 B16R1.596 CC(O)CCCOCCCC1CCCCC1 7a_100000198086_200000718107 [0,1,0,1,0,0|1,0,1]=4 14480 B16R1.596 CC(O)CCCSCCCC1CCCCC1 62a_100011713725_200000718107 [0,1,0,1,0,0|1,0,1]=4 14481 B16R1.596 CC(O)CCCSCCCC1CCCCC1 62a_200000718107_100011713725 [0,1,0,1,0,0|1,0,1]=4 14482 B16R1.596 CC(O)CCOCCCCC1CCCCC1 34a_100011215267_100012276601 [0,1,0,1,0,0|1,0,1]=4 14483 B16R1.596 CC(O)CCOCCCCC1CCCCC1 7a_100011215267_100012276601 [0,1,0,1,0,0|1,0,1]=4 14484 B16R1.596 CS(=O)CCCNCCCC1CCCCC1 2230a_200000753449_100011713725 [0,1,0,1,0,0|2,0,0]=4 14485 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [0,1,0,1,0,0|1,0,0]=3 14486 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [0,1,0,1,0,0|1,0,0]=3 14487 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 2230a_100000174945_100009817443 [0,1,0,1,0,0|2,0,0]=4 14488 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 34a_100000174945_100009817443 [0,1,0,1,0,0|2,0,0]=4 14489 B16R1.596 NC(=O)CCCCCNCC1CCCOC1 2230a_100000720124_100009817443 [0,1,0,1,0,0|2,0,0]=4 14490 B16R1.596 NC(=O)CCCCCNCC1CCCOC1 34a_100000720124_100009817443 [0,1,0,1,0,0|2,0,0]=4 14491 B16R1.596 NC(=O)CCCCCNCC1CCOCC1 2230a_100000746373_100009817443 [0,1,0,1,0,0|2,0,0]=4 14492 B16R1.596 NC(=O)CCCCCNCC1CCOCC1 34a_100000746373_100009817443 [0,1,0,1,0,0|2,0,0]=4 14493 B16R1.596 NC(=O)CCCCCNCC1CCSCC1 2230a_100015188806_100009817443 [0,1,0,1,0,0|2,0,0]=4 14494 B16R1.596 NC(=O)CCCCCNCC1CCSCC1 34a_100015188806_100009817443 [0,1,0,1,0,0|2,0,0]=4 14495 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [0,1,0,1,0,0|1,0,0]=3 14496 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [0,1,0,1,0,0|1,0,0]=3 14497 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [0,1,0,1,0,0|1,0,0]=3 14498 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [0,1,0,1,0,0|1,0,0]=3 14499 B16R1.596 NC(=O)CCCCCOCC1CCCCN1 34a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 14500 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000123541_100000211543 [0,1,0,1,0,0|2,0,0]=4 14501 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000211370_100009817443 [0,1,0,1,0,0|2,0,0]=4 14502 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000123541_100000211543 [0,1,0,1,0,0|2,0,0]=4 14503 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000211370_100009817443 [0,1,0,1,0,0|2,0,0]=4 14504 B16R1.596 NC(=O)CCCCCOCC1CCCNC1 34a_100000211344_100009817443 [0,1,0,1,0,0|2,0,0]=4 14505 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 34a_100000123541_100000741521 [0,1,0,1,0,0|2,0,0]=4 14506 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 34a_100000741520_100009817443 [0,1,0,1,0,0|2,0,0]=4 14507 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 7a_100000123541_100000741521 [0,1,0,1,0,0|2,0,0]=4 14508 B16R1.596 NC(=O)CCCCCOCC1CCNCC1 34a_100000738675_100009817443 [0,1,0,1,0,0|2,0,0]=4 14509 B16R1.596 NC(=O)CCCCCOCC1CCOCC1 34a_100000123541_100000754603 [0,1,0,1,0,0|2,0,0]=4 14510 B16R1.596 NC(=O)CCCCCOCC1CCOCC1 34a_100000749013_100009817443 [0,1,0,1,0,0|2,0,0]=4 14511 B16R1.596 NC(=O)CCCCCOCC1CCOCC1 7a_100000123541_100000754603 [0,1,0,1,0,0|2,0,0]=4 14512 B16R1.596 NC(=O)CCCCCOCC1CCSCC1 34a_100000070558_100009817443 [0,1,0,1,0,0|2,0,0]=4 14513 B16R1.596 NC(=O)CCCCCOCC1CCSCC1 7a_100000070558_100009817443 [0,1,0,1,0,0|2,0,0]=4 14514 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [0,1,0,1,0,0|1,0,0]=3 14515 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [0,1,0,1,0,0|1,0,0]=3 14516 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100000211543_100009817443 [0,1,0,1,0,0|2,0,0]=4 14517 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100009817443_100000211543 [0,1,0,1,0,0|2,0,0]=4 14518 B16R1.596 NC(=O)CCCCCSCC1CCCOC1 62a_100000741521_100009817443 [0,1,0,1,0,0|2,0,0]=4 14519 B16R1.596 NC(=O)CCCCCSCC1CCCOC1 62a_100009817443_100000741521 [0,1,0,1,0,0|2,0,0]=4 14520 B16R1.596 NC(=O)CCCCCSCC1CCOCC1 62a_100000754603_100009817443 [0,1,0,1,0,0|2,0,0]=4 14521 B16R1.596 NC(=O)CCCCCSCC1CCOCC1 62a_100009817443_100000749018 [0,1,0,1,0,0|2,0,0]=4 14522 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [0,1,0,1,0,0|1,0,0]=3 14523 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [0,1,0,1,0,0|1,0,0]=3 14524 B16R1.596 NC(=O)CCCCNCCC1CCOCC1 34a_100000696515_100011934994 [0,1,0,1,0,0|2,0,0]=4 14525 B16R1.596 NC(=O)CCCCNCCN1CCCCC1 34a_100000696515_100000739454 [0,1,0,1,0,0|2,0,0]=4 14526 B16R1.596 NC(=O)CCCCNCOC1CCCCC1 34a_100000696515_100011935260 [0,1,0,1,0,0|2,0,0]=4 14527 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [0,1,0,1,0,0|1,0,0]=3 14528 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [0,1,0,1,0,0|1,0,0]=3 14529 B16R1.596 NC(=O)CCCCOCCC1CCOCC1 34a_100012022536_100011934994 [0,1,0,1,0,0|2,0,0]=4 14530 B16R1.596 NC(=O)CCCCOCCC1CCOCC1 7a_100012022536_100011934994 [0,1,0,1,0,0|2,0,0]=4 14531 B16R1.596 NC(=O)CCCCOCCN1CCCCC1 34a_100012022536_100000739454 [0,1,0,1,0,0|2,0,0]=4 14532 B16R1.596 NC(=O)CCCCOCCN1CCCCC1 7a_100012022536_100000739454 [0,1,0,1,0,0|2,0,0]=4 14533 B16R1.596 NC(=O)CCCCOCOC1CCCCC1 34a_100012022536_100011935260 [0,1,0,1,0,0|2,0,0]=4 14534 B16R1.596 NC(=O)CCCCOCOC1CCCCC1 7a_100012022536_100011935260 [0,1,0,1,0,0|2,0,0]=4 14535 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [0,1,0,1,0,0|1,0,0]=3 14536 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [0,1,0,1,0,0|1,0,0]=3 14537 B16R1.596 NC(=O)CCCNCCCN1CCCCC1 34a_100000739312_100000690320 [0,1,0,1,0,0|2,0,0]=4 14538 B16R1.596 NC(=O)CCCNCCOC1CCCCC1 34a_100000739312_100011211530 [0,1,0,1,0,0|2,0,0]=4 14539 B16R1.596 NC(=O)CCCNCCOC1CCCCC1 34a_100015206981_100102525003 [0,1,0,1,0,0|2,0,0]=4 14540 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [0,1,0,1,0,0|1,0,0]=3 14541 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [0,1,0,1,0,0|1,0,0]=3 14542 B16R1.596 NC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 14543 B16R1.596 NC(=O)CCCOCCCC1CCCNC1 34a_100150707839_100102525003 [0,1,0,1,0,0|2,0,0]=4 14544 B16R1.596 NC(=O)CCCOCCCC1CCNCC1 34a_100016988962_100102525003 [0,1,0,1,0,0|2,0,0]=4 14545 B16R1.596 NC(=O)CCCOCCCN1CCCCC1 34a_100000212458_100102525003 [0,1,0,1,0,0|2,0,0]=4 14546 B16R1.596 NC(=O)CCCOCCNC1CCCCC1 34a_100000200466_100102525003 [0,1,0,1,0,0|2,0,0]=4 14547 B16R1.596 NC(=O)CCCOCCOC1CCCCC1 34a_100011249652_100102525003 [0,1,0,1,0,0|2,0,0]=4 14548 B16R1.596 NC(=O)CCCOCCOC1CCCCC1 7a_100011249652_100102525003 [0,1,0,1,0,0|2,0,0]=4 14549 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [0,1,0,1,0,0|1,0,0]=3 14550 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [0,1,0,1,0,0|1,0,0]=3 14551 B16R1.596 NC(=O)CCCSCCCN1CCCCC1 62a_100102525003_100000007876 [0,1,0,1,0,0|2,0,0]=4 14552 B16R1.596 NC(=O)CCCSCCCN1CCCCC1 62a_100132302099_100102525003 [0,1,0,1,0,0|2,0,0]=4 14553 B16R1.596 NC(=O)CCCSCCOC1CCCCC1 62a_100011211530_100102525003 [0,1,0,1,0,0|2,0,0]=4 14554 B16R1.596 NC(=O)CCCSCCOC1CCCCC1 62a_100102525003_100011211530 [0,1,0,1,0,0|2,0,0]=4 14555 B16R1.596 NC(=O)CCNCCCOC1CCCCC1 34a_100000205933_100000731001 [0,1,0,1,0,0|2,0,0]=4 14556 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [0,1,0,1,0,0|1,0,0]=3 14557 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [0,1,0,1,0,0|1,0,0]=3 14558 B16R1.596 NC(=O)CCOCCCCC1CCNCC1 34a_100016989291_100000731001 [0,1,0,1,0,0|2,0,0]=4 14559 B16R1.596 NC(=O)COCCCCCN1CCCCC1 34a_100011216611_100000187820 [0,1,0,1,0,0|2,0,0]=4 14560 B16R1.596 NC(=O)COCCCCCN1CCCCC1 7a_100011216611_100000187820 [0,1,0,1,0,0|2,0,0]=4 14561 B16R1.596 NC(=O)COCCNCCC1CCCCC1 2230a_100000738074_100000076697 [0,1,0,1,0,0|2,0,0]=4 14562 B16R1.596 NC(=O)COCCNCCC1CCCCC1 34a_100000738074_100000076697 [0,1,0,1,0,0|2,0,0]=4 14563 B16R1.596 NC(=O)COCCOCCC1CCCCC1 34a_100011217863_100000076697 [0,1,0,1,0,0|2,0,0]=4 14564 B16R1.596 NC(=O)COCCOCCC1CCCCC1 7a_100011217863_100000076697 [0,1,0,1,0,0|2,0,0]=4 14565 B16R1.596 NC(=O)COCCSCCC1CCCCC1 62a_100000076697_100012355289 [0,1,0,1,0,0|2,0,0]=4 14566 B16R1.596 NC(=O)COCCSCCC1CCCCC1 62a_100012355289_100000076697 [0,1,0,1,0,0|2,0,0]=4 14567 B16R1.596 NC(=O)NCCNCCCC1CCCCC1 2230a_100011211642_200000034859 [0,1,0,1,0,0|2,0,0]=4 14568 B16R1.596 NC(=O)NCCNCCCC1CCCCC1 34a_100020590234_100011713725 [0,1,0,1,0,0|2,0,0]=4 14569 B16R1.596 NC(=O)NCCOCCCC1CCCCC1 34a_100000181757_100011713725 [0,1,0,1,0,0|2,0,0]=4 14570 B16R1.596 NC(=O)NCCOCCCC1CCCCC1 7a_100000198086_200000034859 [0,1,0,1,0,0|2,0,0]=4 14571 B16R1.596 NC(=O)NCCSCCCC1CCCCC1 62a_100011713725_200000034859 [0,1,0,1,0,0|2,0,0]=4 14572 B16R1.596 NC(=O)NCCSCCCC1CCCCC1 62a_200000034859_100011713725 [0,1,0,1,0,0|2,0,0]=4 14573 B16R1.596 NC(=O)OCCNCCCC1CCCCC1 34a_100011211642_200011214921 [0,1,0,1,0,0|2,0,0]=4 14574 B16R1.596 NC(=O)OCCOCCCC1CCCCC1 34a_100000198086_200011214921 [0,1,0,1,0,0|2,0,0]=4 14575 B16R1.596 NC(=O)OCCOCCCC1CCCCC1 7a_100000198086_200011214921 [0,1,0,1,0,0|2,0,0]=4 14576 B16R1.596 NC(=O)OCCOCCCC1CCCCC1 7a_100000766696_100011713725 [0,1,0,1,0,0|2,0,0]=4 14577 B16R1.596 NC(=O)OCCSCCCC1CCCCC1 62a_100011713725_200011214921 [0,1,0,1,0,0|2,0,0]=4 14578 B16R1.596 NC(=O)OCCSCCCC1CCCCC1 62a_200011214921_100011713725 [0,1,0,1,0,0|2,0,0]=4 14579 B16R1.596 O=C(O)CNCCCCOC1CCCCO1 269956a_100016091260_100000031530 [0,1,0,1,0,0|2,0,0]=4 14580 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [0,1,0,1,0,0|1,0,0]=3 14581 B16R1.596 O=C(O)COCCNCCC1CCOCC1 269956a_100000700818_100011934994 [0,1,0,1,0,0|2,0,0]=4 14582 B16R1.596 O=C(O)COCCNCCN1CCCCC1 269956a_100000700818_100000739454 [0,1,0,1,0,0|2,0,0]=4 14583 B16R1.596 O=C(O)COCCNCOC1CCCCC1 269956a_100000700818_100011935260 [0,1,0,1,0,0|2,0,0]=4 14584 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [0,1,0,1,0,0|0,0,1]=3 14585 B16R1.596 O=C([O-])CCCCCOCC1CCCCO1 7a_100102619762_100000211543 [0,1,0,1,0,0|1,0,1]=4 14586 B16R1.596 O=C([O-])CCCCCOCC1CCCOC1 7a_100102619762_100000741521 [0,1,0,1,0,0|1,0,1]=4 14587 B16R1.596 O=C([O-])CCCCCOCC1CCOCC1 7a_100102619762_100000754603 [0,1,0,1,0,0|1,0,1]=4 14588 B16R1.596 O=C([O-])COCCCCCN1CCCCC1 34a_100011216611_100020667443 [0,1,0,1,0,0|1,0,1]=4 14589 B16R1.596 O=[N+]([O-])CCCCOCCC1CCCCC1 34a_200015379883_100011209188 [0,1,0,1,0,0|1,0,1]=4 14590 B16R1.596 O=[N+]([O-])CCCCOCCC1CCCCC1 7a_200015379883_100011273959 [0,1,0,1,0,0|1,0,1]=4 14591 B16R1.596 O=[N+]([O-])CCCOCCCC1CCCCC1 34a_200000037920_100011713725 [0,1,0,1,0,0|1,0,1]=4 14592 B16R1.596 OB(O)CCCCCCNC1CCCCC1 2230a_100000182618_100009817187 [0,1,0,1,0,0|1,0,1]=4 14593 B16R1.596 OB(O)CCCCCCNC1CCCCC1 34a_100000182618_100009817187 [0,1,0,1,0,0|1,0,1]=4 14594 B16R1.596 OB(O)CCCCCCOC1CCCCC1 34a_100000210231_100009817187 [0,1,0,1,0,0|1,0,1]=4 14595 B16R1.596 OB(O)CCCCCCOC1CCCCC1 7a_100000210231_100009817187 [0,1,0,1,0,0|1,0,1]=4 14596 B16R1.596 OB(O)CCCCCCSC1CCCCC1 62a_100000210327_100009817187 [0,1,0,1,0,0|1,0,1]=4 14597 B16R1.596 OB(O)CCCCCCSC1CCCCC1 62a_100009817187_100000210327 [0,1,0,1,0,0|1,0,1]=4 14598 B16R1.596 OB(O)CCCCCNCC1CCCCC1 2230a_100000210473_200009817188 [0,1,0,1,0,0|1,0,1]=4 14599 B16R1.596 OB(O)CCCCCNCC1CCCCC1 34a_100000210473_200009817188 [0,1,0,1,0,0|1,0,1]=4 14600 B16R1.596 OB(O)CCCCCOCC1CCCCC1 34a_100000212181_200009817188 [0,1,0,1,0,0|1,0,1]=4 14601 B16R1.596 OB(O)CCCCCOCC1CCCCC1 7a_100000212181_200009817188 [0,1,0,1,0,0|1,0,1]=4 14602 B16R1.596 OB(O)CCCCCSCC1CCCCC1 62a_100000211423_200009817188 [0,1,0,1,0,0|1,0,1]=4 14603 B16R1.596 OB(O)CCCCCSCC1CCCCC1 62a_200009817188_100000211423 [0,1,0,1,0,0|1,0,1]=4 14604 B16R1.596 OB(O)CCCCNCCC1CCCCC1 2230a_100000738074_200009817182 [0,1,0,1,0,0|1,0,1]=4 14605 B16R1.596 OB(O)CCCCNCCC1CCCCC1 34a_100000738074_200009817182 [0,1,0,1,0,0|1,0,1]=4 14606 B16R1.596 OB(O)CCCCOCCC1CCCCC1 34a_100011217863_200009817182 [0,1,0,1,0,0|1,0,1]=4 14607 B16R1.596 OB(O)CCCCOCCC1CCCCC1 7a_100011217863_200009817182 [0,1,0,1,0,0|1,0,1]=4 14608 B16R1.596 OB(O)CCCCSCCC1CCCCC1 62a_100012355289_200009817182 [0,1,0,1,0,0|1,0,1]=4 14609 B16R1.596 OB(O)CCCCSCCC1CCCCC1 62a_200009817182_100012355289 [0,1,0,1,0,0|1,0,1]=4 14610 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 269982a_100000211664_100000735457 [0,1,0,1,0,0|2,0,0]=4 14611 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 34a_100000211664_100009817362 [0,1,0,1,0,0|2,0,0]=4 14612 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [0,1,0,1,0,0|1,0,0]=3 14613 B16R1.695 CCCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100011218038 [0,1,0,1,0,0|2,0,0]=4 14614 B16R1.695 CCCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100011218038 [0,1,0,1,0,0|2,0,0]=4 14615 B16R1.695 CCCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100011218038 [0,1,0,1,0,0|2,0,0]=4 14616 B16R1.695 CCCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100011218038 [0,1,0,1,0,0|2,0,0]=4 14617 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [0,1,0,1,0,0|1,0,0]=3 14618 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [0,1,0,1,0,0|1,0,0]=3 14619 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [0,1,0,1,0,0|1,0,0]=3 14620 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [0,1,0,1,0,0|1,0,0]=3 14621 B16R1.695 CCCC1CCCCC1OCCCC(C)O 34a_100011217265_200000718107 [0,1,0,1,0,0|1,0,1]=4 14622 B16R1.695 CCCC1CCCCC1OCCCC(C)O 7a_100011217265_200000718107 [0,1,0,1,0,0|1,0,1]=4 14623 B16R1.695 CCCC1CCCCC1OCCNC(=O)C 7a_100011217265_100000189650 [0,1,0,1,0,0|2,0,0]=4 14624 B16R1.695 CCCC1CCCCC1OCCNC(=O)N 7a_100011217265_200000034859 [0,1,0,1,0,0|2,0,0]=4 14625 B16R1.695 CCCC1CCCCC1OCCOC(=O)C 34a_100011217265_100009814007 [0,1,0,1,0,0|2,0,0]=4 14626 B16R1.695 CCCC1CCCCC1OCCOC(=O)C 7a_100011217265_100009814007 [0,1,0,1,0,0|2,0,0]=4 14627 B16R1.695 CCCC1CCCCC1OCCOC(=O)N 34a_100011217265_200011214921 [0,1,0,1,0,0|2,0,0]=4 14628 B16R1.695 CCCC1CCCCC1OCCOC(=O)N 7a_100011217265_200011214921 [0,1,0,1,0,0|2,0,0]=4 14629 B16R1.695 CCCC1CCCCN1CCCCB(O)O 2230a_100000701414_200009817182 [0,1,0,1,0,0|1,0,1]=4 14630 B16R1.695 CCCC1CCCCN1CCCCB(O)O 269982a_100000701414_200009817182 [0,1,0,1,0,0|1,0,1]=4 14631 B16R1.695 CCCC1CCCCN1CCCCB(O)O 34a_100000701414_200009817182 [0,1,0,1,0,0|1,0,1]=4 14632 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [0,1,0,1,0,0|1,0,0]=3 14633 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [0,1,0,1,0,0|1,0,0]=3 14634 B16R1.695 CCCC1CCCCN1CCCOC(=O)C 269982a_100000701414_100000042594 [0,1,0,1,0,0|2,0,0]=4 14635 B16R1.695 CCCC1CCCCN1CCCOC(=O)C 34a_100000701414_100000042594 [0,1,0,1,0,0|2,0,0]=4 14636 B16R1.695 CCCC1CCCCN1CCCSC(=O)C 2230a_100000701414_100000038929 [0,1,0,1,0,0|2,0,0]=4 14637 B16R1.695 CCCC1CCCCN1CCCSC(=O)C 269982a_100000701414_100000038929 [0,1,0,1,0,0|2,0,0]=4 14638 B16R1.695 CCCC1CCCCN1CCCSC(=O)C 34a_100000701414_100000038929 [0,1,0,1,0,0|2,0,0]=4 14639 B16R1.695 CCCC1CCCCN1CCOCC(=O)N 2230a_100000701414_100000076697 [0,1,0,1,0,0|2,0,0]=4 14640 B16R1.695 CCCC1CCCCN1CCOCC(=O)N 269982a_100000701414_100000076697 [0,1,0,1,0,0|2,0,0]=4 14641 B16R1.695 CCCC1CCCCN1CCOCC(=O)N 34a_100000701414_100000076697 [0,1,0,1,0,0|2,0,0]=4 14642 B16R1.695 CCCC1COCCN1CCCCC(=O)C 269982a_102495339903_100000735457 [0,1,0,1,0,0|2,0,0]=4 14643 B16R1.695 CCCC1COCCN1CCCCC(=O)C 34a_102495339903_100009817362 [0,1,0,1,0,0|2,0,0]=4 14644 B16R1.695 COCC1CCCCN1CCCCC(=O)C 269982a_100015184032_100000735457 [0,1,0,1,0,0|2,0,0]=4 14645 B16R1.695 COCC1CCCCN1CCCCC(=O)C 34a_100015184032_100009817362 [0,1,0,1,0,0|2,0,0]=4 14646 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [0,1,0,1,0,0|1,0,0]=3 14647 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [0,1,0,1,0,0|1,0,0]=3 14648 B16R1.708 CCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000723119 [0,1,0,1,0,0|2,0,0]=4 14649 B16R1.708 CCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000723119 [0,1,0,1,0,0|2,0,0]=4 14650 B16R1.708 CCCN1CCCC1COCCCC(=O)C 34a_200000694710_100000685027 [0,1,0,1,0,0|2,0,0]=4 14651 B16R1.708 CCCN1CCCC1COCCCC(=O)C 7a_200000694710_100011215641 [0,1,0,1,0,0|2,0,0]=4 14652 B16R1.708 CCCN1CCCC1COCCCC(=O)N 34a_200000694710_100102525003 [0,1,0,1,0,0|2,0,0]=4 14653 B16R1.708 CCCN1CCCC1COCCCC(=O)N 7a_200000694710_100102525003 [0,1,0,1,0,0|2,0,0]=4 14654 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 2230a_100020646714_100009817443 [0,1,0,1,0,0|2,0,0]=4 14655 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 269982a_100020646714_100009817443 [0,1,0,1,0,0|2,0,0]=4 14656 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 34a_100020646714_100009817443 [0,1,0,1,0,0|2,0,0]=4 14657 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100011215641 [0,1,0,1,0,0|2,0,0]=4 14658 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100000685027 [0,1,0,1,0,0|2,0,0]=4 14659 B16R1.1255 CCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210211 [0,1,0,1,0,0|2,0,0]=4 14660 B16R1.1255 CCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210211 [0,1,0,1,0,0|2,0,0]=4 14661 B16R1.1255 CCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210210 [0,1,0,1,0,0|2,0,0]=4 14662 B16R1.1255 COCCC1CCCCN1CCCC(=O)C 269982a_100015186528_100011215641 [0,1,0,1,0,0|2,0,0]=4 14663 B16R1.1255 COCCC1CCCCN1CCCC(=O)C 34a_100015186528_100000685027 [0,1,0,1,0,0|2,0,0]=4 14664 B16R1.1255 COCCC1CCCCN1CCCC(=O)N 269982a_100015186528_100102525003 [0,1,0,1,0,0|2,0,0]=4 14665 B16R1.1255 COCCC1CCCCN1CCCC(=O)N 34a_100015186528_100102525003 [0,1,0,1,0,0|2,0,0]=4 14666 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 14667 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 14668 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [0,1,0,1,0,0|1,0,0]=3 14669 B16R1.1270 CCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000750825 [0,1,0,1,0,0|2,0,0]=4 14670 B16R1.1270 CCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000750825 [0,1,0,1,0,0|2,0,0]=4 14671 B16R1.1270 CCCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000750825 [0,1,0,1,0,0|2,0,0]=4 14672 B16R1.1270 CCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000750825 [0,1,0,1,0,0|2,0,0]=4 14673 B16R1.1352 CCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000749056 [0,1,0,1,0,0|2,0,0]=4 14674 B16R1.1352 CCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000749056 [0,1,0,1,0,0|2,0,0]=4 14675 B16R1.1352 CCC1CCCN1CCCCCCB(O)O 2230a_100000754278_100009817187 [0,1,0,1,0,0|1,0,1]=4 14676 B16R1.1352 CCC1CCCN1CCCCCCB(O)O 269982a_100000754278_100009817187 [0,1,0,1,0,0|1,0,1]=4 14677 B16R1.1352 CCC1CCCN1CCCCCCB(O)O 34a_100000754278_100009817187 [0,1,0,1,0,0|1,0,1]=4 14678 B16R1.1352 CCC1CCCN1CCCCCOC(=O)C 2230a_100000754278_100009813381 [0,1,0,1,0,0|2,0,0]=4 14679 B16R1.1352 CCC1CCCN1CCCCCOC(=O)C 269982a_100000754278_100000033007 [0,1,0,1,0,0|2,0,0]=4 14680 B16R1.1352 CCC1CCCN1CCCCCOC(=O)C 34a_100000754278_100000033007 [0,1,0,1,0,0|2,0,0]=4 14681 B16R1.1352 CCN1CCC[C@@H]1COCCCCC(=O)C 34a_100011739246_100009817362 [0,1,0,1,0,0|2,0,0]=4 14682 B16R1.1352 CCN1CCC[C@@H]1COCCCCC(=O)C 7a_100011739246_100000735457 [0,1,0,1,0,0|2,0,0]=4 14683 B16R1.1424 C#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215417 [0,1,0,1,0,0|0,0,2]=4 14684 B16R1.1424 C=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011713584 [0,1,0,1,0,0|0,0,2]=4 14685 B16R1.1424 CC/C=C\CN1CCCCC1CCC(=O)O 269956a_100000694054_100103147603 [0,1,0,1,0,0|0,0,2]=4 14686 B16R1.1424 CCC#CCN1CCCCC1CCC(=O)O 269956a_100000694054_100009813939 [0,1,0,1,0,0|0,0,2]=4 14687 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [0,1,0,1,0,0|0,0,0]=2 14688 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [0,1,0,1,0,0|1,0,0]=3 14689 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [0,1,0,1,0,0|1,0,0]=3 14690 B16R1.1424 COCCCC1CCCCN1CCC(=O)C 269982a_100011804088_100000053229 [0,1,0,1,0,0|2,0,0]=4 14691 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 2230a_100011804088_100000744528 [0,1,0,1,0,0|2,0,0]=4 14692 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 269982a_100011804088_100000744528 [0,1,0,1,0,0|2,0,0]=4 14693 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 34a_100011804088_100000731001 [0,1,0,1,0,0|2,0,0]=4 14694 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [0,1,0,1,0,0|1,0,0]=3 14695 B16R1.1424 N#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000687738 [0,1,0,1,0,0|1,0,1]=4 14696 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [0,1,0,1,0,0|1,0,0]=3 14697 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [0,1,0,1,0,0|1,0,0]=3 14698 B16R1.1424 O=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_200011292268 [0,1,0,1,0,0|1,0,1]=4 14699 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [0,1,0,1,0,0|1,0,0]=3 14700 B16R1.1442 CCCCCC1CCCC1NCCC(C)O 269862a_200000755665_200000198059 [0,1,0,1,0,0|1,0,1]=4 14701 B16R1.1442 CCCCCC1CCCC1NCCC(C)O 270004a_200000755665_200000198059 [0,1,0,1,0,0|1,0,1]=4 14702 B16R1.3900 C#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012094781 [0,1,0,1,0,0|0,0,2]=4 14703 B16R1.3900 C#CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100010269958 [0,1,0,1,0,0|0,0,2]=4 14704 B16R1.3900 C=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000700193 [0,1,0,1,0,0|0,0,2]=4 14705 B16R1.3900 C=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215482 [0,1,0,1,0,0|0,0,2]=4 14706 B16R1.3900 CC/C=C\CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100015370543 [0,1,0,1,0,0|0,0,2]=4 14707 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [0,1,0,1,0,0|1,0,0]=3 14708 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [0,1,0,1,0,0|1,0,0]=3 14709 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [0,1,0,1,0,0|1,0,0]=3 14710 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [0,1,0,1,0,0|0,0,0]=2 14711 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [0,1,0,1,0,0|1,0,0]=3 14712 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [0,1,0,1,0,0|1,0,0]=3 14713 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [0,1,0,1,0,0|1,0,0]=3 14714 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [0,1,0,1,0,0|0,0,0]=2 14715 B16R1.3900 CCCCOCCN1CCCCC1C(=O)N 2230a_100000181395_100000743108 [0,1,0,1,0,0|2,0,0]=4 14716 B16R1.3900 CCCCOCCN1CCCCC1C(=O)N 269982a_100000181395_100000743108 [0,1,0,1,0,0|2,0,0]=4 14717 B16R1.3900 CCCCOCCN1CCCCC1C(=O)N 34a_100000181395_100000743108 [0,1,0,1,0,0|2,0,0]=4 14718 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [0,1,0,1,0,0|1,0,0]=3 14719 B16R1.3900 CCCCOCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000743108 [0,1,0,1,0,0|2,0,0]=4 14720 B16R1.3900 CCCCOCCN1CCSCC1C(=O)O 269956a_100011346106_100000743108 [0,1,0,1,0,0|2,0,0]=4 14721 B16R1.3900 CCCCOCCN1CSCCC1C(=O)O 269956a_100015185162_100000743108 [0,1,0,1,0,0|2,0,0]=4 14722 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [0,1,0,1,0,0|1,0,0]=3 14723 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [0,1,0,1,0,0|1,0,0]=3 14724 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [0,1,0,1,0,0|1,0,0]=3 14725 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [0,1,0,1,0,0|1,0,0]=3 14726 B16R1.3900 COCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000695917 [0,1,0,1,0,0|2,0,0]=4 14727 B16R1.3900 COCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000231047 [0,1,0,1,0,0|2,0,0]=4 14728 B16R1.3900 N#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813376 [0,1,0,1,0,0|1,0,1]=4 14729 B16R1.3900 N#CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011219923 [0,1,0,1,0,0|1,0,1]=4 14730 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 2230a_100000181395_100015922095 [0,1,0,1,0,0|2,0,0]=4 14731 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 269982a_100000181395_100015922095 [0,1,0,1,0,0|2,0,0]=4 14732 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 34a_100000181395_100015922095 [0,1,0,1,0,0|2,0,0]=4 14733 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 2230a_100000181395_100000766143 [0,1,0,1,0,0|2,0,0]=4 14734 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 269982a_100000181395_100000766143 [0,1,0,1,0,0|2,0,0]=4 14735 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 34a_100000181395_100000766143 [0,1,0,1,0,0|2,0,0]=4 14736 B16R1.3900 O=C(O)C1CCSCN1CCCCCCF 269956a_100015185162_100015922095 [0,1,0,1,0,0|2,0,0]=4 14737 B16R1.3900 O=C(O)C1CCSCN1CCCCCCO 269956a_100015185162_100000766143 [0,1,0,1,0,0|2,0,0]=4 14738 B16R1.3900 O=C(O)C1CSCCN1CCCCCCF 269956a_100011346106_100015922095 [0,1,0,1,0,0|2,0,0]=4 14739 B16R1.3900 O=C(O)C1CSCCN1CCCCCCO 269956a_100011346106_100000766143 [0,1,0,1,0,0|2,0,0]=4 14740 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [0,1,0,1,0,0|1,0,0]=3 14741 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [0,1,0,1,0,0|1,0,0]=3 14742 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCOCCO 269956a_100009816435_100011215305 [0,1,0,1,0,0|2,0,0]=4 14743 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [0,1,0,1,0,0|1,0,0]=3 14744 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [0,1,0,1,0,0|1,0,0]=3 14745 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCF 269956a_100016993156_100015922095 [0,1,0,1,0,0|2,0,0]=4 14746 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCO 269956a_100016993156_100000766143 [0,1,0,1,0,0|2,0,0]=4 14747 B16R1.3900 O=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139337 [0,1,0,1,0,0|1,0,1]=4 14748 B16R1.3900 O=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000139335 [0,1,0,1,0,0|1,0,1]=4 14749 B16R1.4698 CCCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210759 [0,1,0,1,0,0|1,0,1]=4 14750 B16R1.4698 CCCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210759 [0,1,0,1,0,0|1,0,1]=4 14751 B16R1.5450 C#CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000688953 [0,1,0,1,0,0|0,0,2]=4 14752 B16R1.5450 C/C=C/CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100102629194 [0,1,0,1,0,0|0,0,2]=4 14753 B16R1.5450 C=CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000754431 [0,1,0,1,0,0|0,0,2]=4 14754 B16R1.5450 CC#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000748600 [0,1,0,1,0,0|0,0,2]=4 14755 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [0,1,0,1,0,0|0,0,0]=2 14756 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [0,1,0,1,0,0|1,0,0]=3 14757 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [0,1,0,1,0,0|1,0,0]=3 14758 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [0,1,0,1,0,0|1,0,0]=3 14759 B16R1.5450 N#CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215226 [0,1,0,1,0,0|1,0,1]=4 14760 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [0,1,0,1,0,0|1,0,0]=3 14761 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [0,1,0,1,0,0|1,0,0]=3 14762 B16R1.6690 C#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276617 [0,1,0,1,0,0|0,0,2]=4 14763 B16R1.6690 C=CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215473 [0,1,0,1,0,0|0,0,2]=4 14764 B16R1.6690 CCCCCC#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009816472 [0,1,0,1,0,0|0,0,2]=4 14765 B16R1.6690 CCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210759 [0,1,0,1,0,0|0,0,2]=4 14766 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [0,1,0,1,0,0|1,0,0]=3 14767 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [0,1,0,1,0,0|0,0,0]=2 14768 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [0,1,0,1,0,0|1,0,0]=3 14769 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [0,1,0,1,0,0|1,0,0]=3 14770 B16R1.6690 CCCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210314 [0,1,0,1,0,0|2,0,0]=4 14771 B16R1.6690 CCCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210314 [0,1,0,1,0,0|2,0,0]=4 14772 B16R1.6690 CCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210314 [0,1,0,1,0,0|2,0,0]=4 14773 B16R1.6690 CCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210314 [0,1,0,1,0,0|2,0,0]=4 14774 B16R1.6690 CCOCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011211534 [0,1,0,1,0,0|2,0,0]=4 14775 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011998445 [0,1,0,1,0,0|2,0,0]=4 14776 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [0,1,0,1,0,0|1,0,0]=3 14777 B16R1.6690 COCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100011998445 [0,1,0,1,0,0|2,0,0]=4 14778 B16R1.6690 COCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011998445 [0,1,0,1,0,0|2,0,0]=4 14779 B16R1.6690 COCCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011216529 [0,1,0,1,0,0|2,0,0]=4 14780 B16R1.6690 N#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813337 [0,1,0,1,0,0|1,0,1]=4 14781 B16R1.6690 NC(=O)[C@@H]1CCCN1CCCCCCCO 2230a_100000003125_100000760002 [0,1,0,1,0,0|2,0,0]=4 14782 B16R1.6690 O=C(O)C1SCCN1CCCCCCCO 269956a_100000035718_100000760002 [0,1,0,1,0,0|2,0,0]=4 14783 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [0,1,0,1,0,0|1,0,0]=3 14784 B16R1.6690 O=C(O)[C@@H]1CSCN1CCCCCCCO 269956a_100000743924_100000760002 [0,1,0,1,0,0|2,0,0]=4 14785 B16R1.7037 C#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100010269958 [0,1,0,1,0,0|0,0,2]=4 14786 B16R1.7037 C=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215482 [0,1,0,1,0,0|0,0,2]=4 14787 B16R1.7037 CC/C=C\CCN1CCCCCC1C(=O)O 269956a_100000758484_100015370543 [0,1,0,1,0,0|0,0,2]=4 14788 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [0,1,0,1,0,0|0,0,0]=2 14789 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [0,1,0,1,0,0|1,0,0]=3 14790 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [0,1,0,1,0,0|1,0,0]=3 14791 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [0,1,0,1,0,0|1,0,0]=3 14792 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [0,1,0,1,0,0|1,0,0]=3 14793 B16R1.7037 COCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000231047 [0,1,0,1,0,0|2,0,0]=4 14794 B16R1.7037 N#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011219923 [0,1,0,1,0,0|1,0,1]=4 14795 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [0,1,0,1,0,0|1,0,0]=3 14796 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [0,1,0,1,0,0|1,0,0]=3 14797 B16R1.7037 O=C(O)C1CCCCCN1CCOCCO 269956a_100000758484_100011215305 [0,1,0,1,0,0|2,0,0]=4 14798 B16R1.7037 O=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000139335 [0,1,0,1,0,0|1,0,1]=4 14799 B16R1.8377 CCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000210759 [0,1,0,1,0,0|1,0,1]=4 14800 B16R1.8377 CCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000210759 [0,1,0,1,0,0|1,0,1]=4 14801 B16R1.8377 CCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210759 [0,1,0,1,0,0|2,0,0]=4 14802 B16R1.12321 CC(=O)NCCCCCCNCC1CCC1 2230a_200011996284_100000763275 [0,1,0,1,0,0|2,0,0]=4 14803 B16R1.12321 CC(=O)NCCCCCCNCC1CCC1 269862a_200011996284_100000753134 [0,1,0,1,0,0|2,0,0]=4 14804 B16R1.12321 CC(=O)NCCCCCCNCC1CCC1 34a_200011996284_100000763275 [0,1,0,1,0,0|2,0,0]=4 14805 B16R1.12321 CC(=O)SCCCCCCNCC1CCC1 269862a_100000704104_100000753134 [0,1,0,1,0,0|2,0,0]=4 14806 B16R1.12321 O=C(O)COCCOCCNCC1CCC1 269956a_100009854275_100000763275 [0,1,0,1,0,0|2,0,0]=4 14807 B16R1.12354 C=C(C)CCNCCC1CCCCCCC1 2230a_100011532352_100000730704 [0,1,0,1,0,0|2,0,0]=4 14808 B16R1.12354 C=C(C)CCNCCC1CCCCCCC1 34a_100011532352_100000730704 [0,1,0,1,0,0|2,0,0]=4 14809 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [0,1,0,1,0,0|1,0,0]=3 14810 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [0,1,0,1,0,0|1,0,0]=3 14811 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [0,1,0,1,0,0|1,0,0]=3 14812 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [0,1,0,1,0,0|1,0,0]=3 14813 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [0,1,0,1,0,0|1,0,0]=3 14814 B16R1.12354 CC(=O)NCCCNC1CCCCCCC1 270004a_100000736810_100000210524 [0,1,0,1,0,0|2,0,0]=4 14815 B16R1.12354 CC(=O)NCCOCC1CCCCCCC1 7a_100011216312_100000189650 [0,1,0,1,0,0|2,0,0]=4 14816 B16R1.12354 CC(=O)OCCCCN1CCCCCCC1 269982a_100000211400_100000033659 [0,1,0,1,0,0|2,0,0]=4 14817 B16R1.12354 CC(=O)OCCCCN1CCCCCCC1 34a_100000211400_100000033659 [0,1,0,1,0,0|2,0,0]=4 14818 B16R1.12354 CC(=O)OCCCNC1CCCCCCC1 34a_100000211152_100000042594 [0,1,0,1,0,0|2,0,0]=4 14819 B16R1.12354 CC(=O)OCCCOC1CCCCCCC1 34a_100000210054_100000042594 [0,1,0,1,0,0|2,0,0]=4 14820 B16R1.12354 CC(=O)OCCCOC1CCCCCCC1 7a_100000210054_100000042594 [0,1,0,1,0,0|2,0,0]=4 14821 B16R1.12354 CC(=O)OCCOCC1CCCCCCC1 34a_100011216312_100009814007 [0,1,0,1,0,0|2,0,0]=4 14822 B16R1.12354 CC(=O)OCCOCC1CCCCCCC1 7a_100011216312_100009814007 [0,1,0,1,0,0|2,0,0]=4 14823 B16R1.12354 CC(=O)OCNCCC1CCCCCCC1 34a_100011532352_100009813279 [0,1,0,1,0,0|2,0,0]=4 14824 B16R1.12354 CC(=O)SCCCCN1CCCCCCC1 2230a_100000211400_200010402107 [0,1,0,1,0,0|2,0,0]=4 14825 B16R1.12354 CC(=O)SCCCCN1CCCCCCC1 269982a_100000211400_200010402107 [0,1,0,1,0,0|2,0,0]=4 14826 B16R1.12354 CC(=O)SCCCCN1CCCCCCC1 34a_100000211400_200010402107 [0,1,0,1,0,0|2,0,0]=4 14827 B16R1.12354 CC(=O)SCCCNC1CCCCCCC1 2230a_100000211152_100000038929 [0,1,0,1,0,0|2,0,0]=4 14828 B16R1.12354 CC(=O)SCCCNC1CCCCCCC1 34a_100000211152_100000038929 [0,1,0,1,0,0|2,0,0]=4 14829 B16R1.12354 CC(=O)SCCCOC1CCCCCCC1 34a_100000210054_100000038929 [0,1,0,1,0,0|2,0,0]=4 14830 B16R1.12354 CC(=O)SCCCOC1CCCCCCC1 7a_100000210054_100000038929 [0,1,0,1,0,0|2,0,0]=4 14831 B16R1.12354 CC(O)CCCOCC1CCCCCCC1 34a_100011216312_200000718107 [0,1,0,1,0,0|1,0,1]=4 14832 B16R1.12354 CC(O)CCCOCC1CCCCCCC1 7a_100011216312_200000718107 [0,1,0,1,0,0|1,0,1]=4 14833 B16R1.12354 CC(O)CCNCCC1CCCCCCC1 2230a_100011532352_100012276601 [0,1,0,1,0,0|1,0,1]=4 14834 B16R1.12354 CC(O)CCNCCC1CCCCCCC1 34a_100011532352_100012276601 [0,1,0,1,0,0|1,0,1]=4 14835 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [0,1,0,1,0,0|1,0,0]=3 14836 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [0,1,0,1,0,0|1,0,0]=3 14837 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [0,1,0,1,0,0|1,0,0]=3 14838 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [0,1,0,1,0,0|1,0,0]=3 14839 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [0,1,0,1,0,0|1,0,0]=3 14840 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [0,1,0,1,0,0|1,0,0]=3 14841 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [0,1,0,1,0,0|1,0,0]=3 14842 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [0,1,0,1,0,0|1,0,0]=3 14843 B16R1.12354 NC(=O)COCCNC1CCCCCCC1 2230a_100000211152_100000076697 [0,1,0,1,0,0|2,0,0]=4 14844 B16R1.12354 NC(=O)COCCNC1CCCCCCC1 34a_100000211152_100000076697 [0,1,0,1,0,0|2,0,0]=4 14845 B16R1.12354 NC(=O)COCCOC1CCCCCCC1 34a_100000210054_100000076697 [0,1,0,1,0,0|2,0,0]=4 14846 B16R1.12354 NC(=O)COCCOC1CCCCCCC1 7a_100000210054_100000076697 [0,1,0,1,0,0|2,0,0]=4 14847 B16R1.12354 NC(=O)NCCOCC1CCCCCCC1 7a_100011216312_200000034859 [0,1,0,1,0,0|2,0,0]=4 14848 B16R1.12354 NC(=O)OCCOCC1CCCCCCC1 34a_100011216312_200011214921 [0,1,0,1,0,0|2,0,0]=4 14849 B16R1.12354 NC(=O)OCCOCC1CCCCCCC1 7a_100011216312_200011214921 [0,1,0,1,0,0|2,0,0]=4 14850 B16R1.12354 OB(O)CCCCCN1CCCCCCC1 2230a_100000211400_200009817188 [0,1,0,1,0,0|1,0,1]=4 14851 B16R1.12354 OB(O)CCCCCN1CCCCCCC1 269982a_100000211400_200009817188 [0,1,0,1,0,0|1,0,1]=4 14852 B16R1.12354 OB(O)CCCCCN1CCCCCCC1 34a_100000211400_200009817188 [0,1,0,1,0,0|1,0,1]=4 14853 B16R1.12354 OB(O)CCCCNC1CCCCCCC1 2230a_100000211152_200009817182 [0,1,0,1,0,0|1,0,1]=4 14854 B16R1.12354 OB(O)CCCCNC1CCCCCCC1 34a_100000211152_200009817182 [0,1,0,1,0,0|1,0,1]=4 14855 B16R1.12354 OB(O)CCCCOC1CCCCCCC1 34a_100000210054_200009817182 [0,1,0,1,0,0|1,0,1]=4 14856 B16R1.12354 OB(O)CCCCOC1CCCCCCC1 7a_100000210054_200009817182 [0,1,0,1,0,0|1,0,1]=4 14857 B16R1.17455 CCCCCCCCCCCNCC1CO1 2230a_200011215754_100011216344 [0,1,0,1,0,0|1,0,1]=4 14858 B16R1.17455 CCCCCCCCCCCNCC1CO1 34a_200011215754_102125554688 [0,1,0,1,0,0|1,0,1]=4 14859 B16R1.17455 CCCCCCCCCCCOCC1CO1 34a_100000210809_102125554688 [0,1,0,1,0,0|1,0,1]=4 14860 B16R1.17455 CCCCCCCCCCCOCC1CO1 7a_100000210809_102125554688 [0,1,0,1,0,0|1,0,1]=4 14861 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215454 [0,1,0,1,0,0|1,0,1]=4 14862 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 7a_100000210809_100000745022 [0,1,0,1,0,0|1,0,1]=4 14863 B16R1.17455 CCCCCCCCCCCSCC1CO1 62a_102125554688_100011215454 [0,1,0,1,0,0|1,0,1]=4 14864 B16R1.17455 CCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215454 [0,1,0,1,0,0|1,0,1]=4 14865 B16R1.17455 CCCCCCCCCCNCCC1CO1 2230a_100000684558_100000732470 [0,1,0,1,0,0|1,0,1]=4 14866 B16R1.17455 CCCCCCCCCCNCCC1CO1 34a_100000684558_100000732470 [0,1,0,1,0,0|1,0,1]=4 14867 B16R1.17455 CCCCCCCCCCOCCC1CO1 34a_100000210711_100000732470 [0,1,0,1,0,0|1,0,1]=4 14868 B16R1.17455 CCCCCCCCCCOCCC1CO1 7a_100000210711_100000732470 [0,1,0,1,0,0|1,0,1]=4 14869 B16R1.17455 CCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210320 [0,1,0,1,0,0|1,0,1]=4 14870 B16R1.17455 CCCCCCCCCCSCCC1CO1 62a_100000732470_100000210320 [0,1,0,1,0,0|1,0,1]=4 14871 B16R1.17455 CCCCCCCCCNCCCC1CO1 2230a_100000212291_100000733510 [0,1,0,1,0,0|1,0,1]=4 14872 B16R1.17455 CCCCCCCCCNCCCC1CO1 34a_100000212291_100000733510 [0,1,0,1,0,0|1,0,1]=4 14873 B16R1.17455 CCCCCCCCCOCCCC1CO1 34a_100000210712_100000733510 [0,1,0,1,0,0|1,0,1]=4 14874 B16R1.17455 CCCCCCCCCOCCCC1CO1 7a_100000210712_100000733510 [0,1,0,1,0,0|1,0,1]=4 14875 B16R1.17455 CCCCCCCCCSCCCC1CO1 62a_100000733510_100000210670 [0,1,0,1,0,0|1,0,1]=4 14876 B16R1.17540 C#CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100153394163 [0,1,0,1,0,0|0,0,2]=4 14877 B16R1.17540 C=CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012355270 [0,1,0,1,0,0|0,0,2]=4 14878 B16R1.17540 CCCCC#CCCCN1CCC1C(=O)O 269956a_100000021838_200000047210 [0,1,0,1,0,0|0,0,2]=4 14879 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,1,0,1,0,0|0,0,0]=2 14880 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [0,1,0,1,0,0|1,0,0]=3 14881 B16R1.18063 CC(=O)NCCCCCCNCCC1CC1 2230a_200011996284_100000694398 [0,1,0,1,0,0|2,0,0]=4 14882 B16R1.18063 CC(=O)NCCCCCCNCCC1CC1 34a_200011996284_100000694398 [0,1,0,1,0,0|2,0,0]=4 14883 B16R1.18063 O=C(O)COCCOCCNCCC1CC1 269956a_100009854275_100000694398 [0,1,0,1,0,0|2,0,0]=4 14884 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [0,1,0,1,0,0|1,0,0]=3 14885 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [0,1,0,1,0,0|1,0,0]=3 14886 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [0,1,0,1,0,0|1,0,0]=3 14887 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [0,1,0,1,0,0|1,0,0]=3 14888 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [0,1,0,1,0,0|1,0,0]=3 14889 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [0,1,0,1,0,0|1,0,0]=3 14890 B16R1.18095 CC(=O)CCCOCCN1CCCCCC1 34a_100000238007_100000685027 [0,1,0,1,0,0|2,0,0]=4 14891 B16R1.18095 CC(=O)CCCOCCN1CCCCCC1 7a_100000759063_100000722644 [0,1,0,1,0,0|2,0,0]=4 14892 B16R1.18095 CC(=O)CCCSCCN1CCCCCC1 62a_100000722644_100011215641 [0,1,0,1,0,0|2,0,0]=4 14893 B16R1.18095 CC(=O)CCCSCCN1CCCCCC1 62a_100011215641_100000722644 [0,1,0,1,0,0|2,0,0]=4 14894 B16R1.18095 CC(=O)CCOCCCN1CCCCCC1 7a_100102886287_100000053229 [0,1,0,1,0,0|2,0,0]=4 14895 B16R1.18095 CC(=O)NCCCCNC1CCCCCC1 270004a_200011368371_100000210131 [0,1,0,1,0,0|2,0,0]=4 14896 B16R1.18095 CC(=O)NCCCCNC1CCCCCC1 34a_200011368371_100011217769 [0,1,0,1,0,0|2,0,0]=4 14897 B16R1.18095 CC(=O)NCCCNCC1CCCCCC1 269862a_100000736810_200000763224 [0,1,0,1,0,0|2,0,0]=4 14898 B16R1.18095 CC(=O)NCCCNCC1CCCCCC1 34a_100000736810_200000696569 [0,1,0,1,0,0|2,0,0]=4 14899 B16R1.18095 CC(=O)NCCCOCC1CCCCCC1 34a_100000752032_200000696569 [0,1,0,1,0,0|2,0,0]=4 14900 B16R1.18095 CC(=O)NCCNCCC1CCCCCC1 2230a_100011532351_100000189650 [0,1,0,1,0,0|2,0,0]=4 14901 B16R1.18095 CC(=O)OCCCCCN1CCCCCC1 2230a_100000185865_100009813381 [0,1,0,1,0,0|2,0,0]=4 14902 B16R1.18095 CC(=O)OCCCCCN1CCCCCC1 269982a_100000185865_100000033007 [0,1,0,1,0,0|2,0,0]=4 14903 B16R1.18095 CC(=O)OCCCCCN1CCCCCC1 34a_100000185865_100000033007 [0,1,0,1,0,0|2,0,0]=4 14904 B16R1.18095 CC(=O)OCCCCNC1CCCCCC1 34a_100000210984_100000033659 [0,1,0,1,0,0|2,0,0]=4 14905 B16R1.18095 CC(=O)OCCCCOC1CCCCCC1 34a_100000073216_100011217769 [0,1,0,1,0,0|2,0,0]=4 14906 B16R1.18095 CC(=O)OCCCCOC1CCCCCC1 34a_100000210887_100000033659 [0,1,0,1,0,0|2,0,0]=4 14907 B16R1.18095 CC(=O)OCCCCOC1CCCCCC1 7a_100000210887_100000033659 [0,1,0,1,0,0|2,0,0]=4 14908 B16R1.18095 CC(=O)OCCCCSC1CCCCCC1 62a_100000033659_100011217769 [0,1,0,1,0,0|2,0,0]=4 14909 B16R1.18095 CC(=O)OCCCCSC1CCCCCC1 62a_100011217769_100000033659 [0,1,0,1,0,0|2,0,0]=4 14910 B16R1.18095 CC(=O)OCCCNCC1CCCCCC1 34a_100015204231_100000042594 [0,1,0,1,0,0|2,0,0]=4 14911 B16R1.18095 CC(=O)OCCCOCC1CCCCCC1 34a_100000699130_100000042594 [0,1,0,1,0,0|2,0,0]=4 14912 B16R1.18095 CC(=O)OCCCOCC1CCCCCC1 7a_100000699130_100000042594 [0,1,0,1,0,0|2,0,0]=4 14913 B16R1.18095 CC(=O)OCCCSCC1CCCCCC1 62a_100000042594_200000696569 [0,1,0,1,0,0|2,0,0]=4 14914 B16R1.18095 CC(=O)OCCCSCC1CCCCCC1 62a_200000696569_100000042594 [0,1,0,1,0,0|2,0,0]=4 14915 B16R1.18095 CC(=O)OCCNCCC1CCCCCC1 34a_100011532351_100009814007 [0,1,0,1,0,0|2,0,0]=4 14916 B16R1.18095 CC(=O)SCCCCNC1CCCCCC1 2230a_100000210984_200010402107 [0,1,0,1,0,0|2,0,0]=4 14917 B16R1.18095 CC(=O)SCCCCNC1CCCCCC1 34a_100000210984_200010402107 [0,1,0,1,0,0|2,0,0]=4 14918 B16R1.18095 CC(=O)SCCCCOC1CCCCCC1 34a_100000210887_200010402107 [0,1,0,1,0,0|2,0,0]=4 14919 B16R1.18095 CC(=O)SCCCCOC1CCCCCC1 7a_100000210887_200010402107 [0,1,0,1,0,0|2,0,0]=4 14920 B16R1.18095 CC(=O)SCCCCSC1CCCCCC1 62a_100011217769_200010402107 [0,1,0,1,0,0|2,0,0]=4 14921 B16R1.18095 CC(=O)SCCCCSC1CCCCCC1 62a_200010402107_100011217769 [0,1,0,1,0,0|2,0,0]=4 14922 B16R1.18095 CC(=O)SCCCNCC1CCCCCC1 2230a_100015204231_100000038929 [0,1,0,1,0,0|2,0,0]=4 14923 B16R1.18095 CC(=O)SCCCNCC1CCCCCC1 34a_100015204231_100000038929 [0,1,0,1,0,0|2,0,0]=4 14924 B16R1.18095 CC(=O)SCCCOCC1CCCCCC1 34a_100000699130_100000038929 [0,1,0,1,0,0|2,0,0]=4 14925 B16R1.18095 CC(=O)SCCCOCC1CCCCCC1 7a_100000699130_100000038929 [0,1,0,1,0,0|2,0,0]=4 14926 B16R1.18095 CC(=O)SCCCSCC1CCCCCC1 62a_100000038929_200000696569 [0,1,0,1,0,0|2,0,0]=4 14927 B16R1.18095 CC(=O)SCCCSCC1CCCCCC1 62a_200000696569_100000038929 [0,1,0,1,0,0|2,0,0]=4 14928 B16R1.18095 CC(O)CCCNCCC1CCCCCC1 2230a_100011532351_200000718107 [0,1,0,1,0,0|1,0,1]=4 14929 B16R1.18095 CC(O)CCCNCCC1CCCCCC1 34a_100011532351_200000718107 [0,1,0,1,0,0|1,0,1]=4 14930 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [0,1,0,1,0,0|1,0,0]=3 14931 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [0,1,0,1,0,0|1,0,0]=3 14932 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [0,1,0,1,0,0|1,0,0]=3 14933 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [0,1,0,1,0,0|1,0,0]=3 14934 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [0,1,0,1,0,0|1,0,0]=3 14935 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [0,1,0,1,0,0|1,0,0]=3 14936 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [0,1,0,1,0,0|1,0,0]=3 14937 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [0,1,0,1,0,0|1,0,0]=3 14938 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [0,1,0,1,0,0|1,0,0]=3 14939 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [0,1,0,1,0,0|1,0,0]=3 14940 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [0,1,0,1,0,0|1,0,0]=3 14941 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [0,1,0,1,0,0|1,0,0]=3 14942 B16R1.18095 NC(=O)CCCOCCN1CCCCCC1 34a_100000238007_100102525003 [0,1,0,1,0,0|2,0,0]=4 14943 B16R1.18095 NC(=O)CCCSCCN1CCCCCC1 62a_100000722644_100102525003 [0,1,0,1,0,0|2,0,0]=4 14944 B16R1.18095 NC(=O)CCCSCCN1CCCCCC1 62a_100102525003_100000722644 [0,1,0,1,0,0|2,0,0]=4 14945 B16R1.18095 NC(=O)CCOCCCN1CCCCCC1 34a_100102886287_100000731001 [0,1,0,1,0,0|2,0,0]=4 14946 B16R1.18095 NC(=O)CCOCCCN1CCCCCC1 7a_100102886287_100000744528 [0,1,0,1,0,0|2,0,0]=4 14947 B16R1.18095 NC(=O)COCCCCN1CCCCCC1 34a_100011305542_100000187820 [0,1,0,1,0,0|2,0,0]=4 14948 B16R1.18095 NC(=O)COCCNCC1CCCCCC1 2230a_100015204231_100000076697 [0,1,0,1,0,0|2,0,0]=4 14949 B16R1.18095 NC(=O)COCCNCC1CCCCCC1 34a_100015204231_100000076697 [0,1,0,1,0,0|2,0,0]=4 14950 B16R1.18095 NC(=O)COCCOCC1CCCCCC1 34a_100000699130_100000076697 [0,1,0,1,0,0|2,0,0]=4 14951 B16R1.18095 NC(=O)COCCOCC1CCCCCC1 7a_100000699130_100000076697 [0,1,0,1,0,0|2,0,0]=4 14952 B16R1.18095 NC(=O)COCCSCC1CCCCCC1 62a_100000076697_200000696569 [0,1,0,1,0,0|2,0,0]=4 14953 B16R1.18095 NC(=O)COCCSCC1CCCCCC1 62a_200000696569_100000076697 [0,1,0,1,0,0|2,0,0]=4 14954 B16R1.18095 NC(=O)NCCNCCC1CCCCCC1 2230a_100011532351_200000034859 [0,1,0,1,0,0|2,0,0]=4 14955 B16R1.18095 NC(=O)OCCNCCC1CCCCCC1 34a_100011532351_200011214921 [0,1,0,1,0,0|2,0,0]=4 14956 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [0,1,0,1,0,0|1,0,0]=3 14957 B16R1.18095 O=C([O-])COCCCCN1CCCCCC1 34a_100011305542_100020667443 [0,1,0,1,0,0|1,0,1]=4 14958 B16R1.18095 O=[N+]([O-])CCCCOCC1CCCCCC1 34a_200015379883_200000696569 [0,1,0,1,0,0|1,0,1]=4 14959 B16R1.18095 O=[N+]([O-])CCCCOCC1CCCCCC1 7a_200015379883_200000696569 [0,1,0,1,0,0|1,0,1]=4 14960 B16R1.18095 OB(O)CCCCCCN1CCCCCC1 2230a_100000185865_100009817187 [0,1,0,1,0,0|1,0,1]=4 14961 B16R1.18095 OB(O)CCCCCCN1CCCCCC1 269982a_100000185865_100009817187 [0,1,0,1,0,0|1,0,1]=4 14962 B16R1.18095 OB(O)CCCCCCN1CCCCCC1 34a_100000185865_100009817187 [0,1,0,1,0,0|1,0,1]=4 14963 B16R1.18095 OB(O)CCCCCNC1CCCCCC1 2230a_100000210984_200009817188 [0,1,0,1,0,0|1,0,1]=4 14964 B16R1.18095 OB(O)CCCCCNC1CCCCCC1 34a_100000210984_200009817188 [0,1,0,1,0,0|1,0,1]=4 14965 B16R1.18095 OB(O)CCCCCOC1CCCCCC1 34a_100000210887_200009817188 [0,1,0,1,0,0|1,0,1]=4 14966 B16R1.18095 OB(O)CCCCCOC1CCCCCC1 7a_100000210887_200009817188 [0,1,0,1,0,0|1,0,1]=4 14967 B16R1.18095 OB(O)CCCCCSC1CCCCCC1 62a_100011217769_200009817188 [0,1,0,1,0,0|1,0,1]=4 14968 B16R1.18095 OB(O)CCCCCSC1CCCCCC1 62a_200009817188_100011217769 [0,1,0,1,0,0|1,0,1]=4 14969 B16R1.18095 OB(O)CCCCNCC1CCCCCC1 2230a_100015204231_200009817182 [0,1,0,1,0,0|1,0,1]=4 14970 B16R1.18095 OB(O)CCCCNCC1CCCCCC1 34a_100015204231_200009817182 [0,1,0,1,0,0|1,0,1]=4 14971 B16R1.18095 OB(O)CCCCOCC1CCCCCC1 34a_100000699130_200009817182 [0,1,0,1,0,0|1,0,1]=4 14972 B16R1.18095 OB(O)CCCCOCC1CCCCCC1 7a_100000699130_200009817182 [0,1,0,1,0,0|1,0,1]=4 14973 B16R1.18095 OB(O)CCCCSCC1CCCCCC1 62a_200000696569_200009817182 [0,1,0,1,0,0|1,0,1]=4 14974 B16R1.18095 OB(O)CCCCSCC1CCCCCC1 62a_200009817182_200000696569 [0,1,0,1,0,0|1,0,1]=4 14975 B16R1.39 CCC1CCCC(C1)NCCCCC(=O)N 270004a_100000696515_100000756783 [0,1,0,1,0,0|2,0,0]=4 14976 B16R1.39 CCC1CCCC(C1)OCCCCC(=O)C 7a_100011985506_100000735457 [0,1,0,1,0,0|2,0,0]=4 14977 B16R1.55 CCCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215978 [0,1,0,1,0,0|2,0,0]=4 14978 B16R1.609 CC(=O)CCCCN[C@H](C)C1CCCCC1 34a_100025707633_100009817362 [0,1,0,1,0,0|2,0,0]=4 14979 B16R1.609 CC(=O)CCCCOC(C)C1CCCCC1 34a_100011216961_100009817362 [0,1,0,1,0,0|2,0,0]=4 14980 B16R1.609 CC(=O)CCCCOC(C)C1CCCCC1 7a_100011216961_100000735457 [0,1,0,1,0,0|2,0,0]=4 14981 B16R1.609 CC(=O)CCCOC[C@H](N)C1CCCCC1 34a_100009817630_100000685027 [0,1,0,1,0,0|2,0,0]=4 14982 B16R1.609 CC(NCCCCC(=O)N)C1CCCCC1 269862a_100000696515_100000210989 [0,1,0,1,0,0|2,0,0]=4 14983 B16R1.609 CN(CCCCCC(=O)N)C1CCCCC1 2230a_100000207522_100009817443 [0,1,0,1,0,0|2,0,0]=4 14984 B16R1.609 CN(CCCCCC(=O)N)C1CCCCC1 269982a_100000207522_100009817443 [0,1,0,1,0,0|2,0,0]=4 14985 B16R1.609 CN(CCCCCC(=O)N)C1CCCCC1 34a_100000207522_100009817443 [0,1,0,1,0,0|2,0,0]=4 14986 B16R1.609 NC(=O)CCCCCC(=O)C1CCCCC1 1458a_100000210647_100009817443 [0,1,0,1,0,0|1,0,1]=4 14987 B16R1.609 NC(=O)CCCOC[C@H](N)C1CCCCC1 34a_100009817630_100102525003 [0,1,0,1,0,0|2,0,0]=4 14988 B16R1.609 NC(=O)CCOCCC(N)C1CCCCC1 34a_200020622111_100000731001 [0,1,0,1,0,0|2,0,0]=4 14989 B16R1.687 CCCCCCC(C)NCC1CNC(=O)O1 2230a_100000210919_100000181169 [0,1,0,1,0,0|2,0,0]=4 14990 B16R1.687 CCCCCCC(C)NCC1CNC(=O)O1 34a_100000210919_100000181169 [0,1,0,1,0,0|2,0,0]=4 14991 B16R1.687 CCCCCCC(C)NCC1COC(=O)O1 34a_100000210919_100000073702 [0,1,0,1,0,0|2,0,0]=4 14992 B16R1.687 CCCCCCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000210919_100015189358 [0,1,0,1,0,0|2,0,0]=4 14993 B16R1.687 CCCCCCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100011215978 [0,1,0,1,0,0|2,0,0]=4 14994 B16R1.687 CCCCCCC(C)NC[C@H]1CCC(=O)N1 270004a_100015423886_100000210826 [0,1,0,1,0,0|2,0,0]=4 14995 B16R1.687 CCCCCCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100011215978 [0,1,0,1,0,0|2,0,0]=4 14996 B16R1.687 CCCCCCC(C)OCC1CCC(=O)N1 34a_100000737831_100011215978 [0,1,0,1,0,0|2,0,0]=4 14997 B16R1.687 CCCCCCC(C)OCC1CNC(=O)O1 34a_100000210265_100000181169 [0,1,0,1,0,0|2,0,0]=4 14998 B16R1.687 CCCCCCC(C)OCC1CNC(=O)O1 34a_100011315639_100011215978 [0,1,0,1,0,0|2,0,0]=4 14999 B16R1.687 CCCCCCC(C)OCC1CNC(=O)O1 7a_100000210265_100000181169 [0,1,0,1,0,0|2,0,0]=4 15000 B16R1.687 CCCCCCC(C)OCC1COC(=O)O1 34a_100000210265_100000073702 [0,1,0,1,0,0|2,0,0]=4 15001 B16R1.687 CCCCCCC(C)OC[C@@H]1CCC(=O)N1 7a_100000210265_100015189358 [0,1,0,1,0,0|2,0,0]=4 15002 B16R1.687 CCCCCCC(C)SCC1CNC(=O)O1 62a_100000181169_100011215978 [0,1,0,1,0,0|2,0,0]=4 15003 B16R1.687 CCCCCCC(C)SCC1CNC(=O)O1 62a_100011215978_100000181169 [0,1,0,1,0,0|2,0,0]=4 15004 B16R1.687 CCCCCCC(C)SCC1COC(=O)O1 62a_100000073702_100011215978 [0,1,0,1,0,0|2,0,0]=4 15005 B16R1.687 CCCCCCC(C)SCC1COC(=O)O1 62a_100011215978_100000073702 [0,1,0,1,0,0|2,0,0]=4 15006 B16R1.687 CCCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100011215978_100015189358 [0,1,0,1,0,0|2,0,0]=4 15007 B16R1.687 CCCCCCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100011215978 [0,1,0,1,0,0|2,0,0]=4 15008 B16R1.1293 CC(CC1CCCC1)NCCCCC(=O)N 270004a_100000696515_100000692464 [0,1,0,1,0,0|2,0,0]=4 15009 B16R1.1293 NC(=O)CCCCCC(=O)CC1CCCC1 1458a_100000210891_100009817443 [0,1,0,1,0,0|1,0,1]=4 15010 B16R1.4617 CCCCCCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100011215978 [0,1,0,1,0,0|2,0,0]=4 15011 B16R1.4617 CCCCCCC(C)N1CCC[C@H]1C(=O)N 270004a_100000003125_100000210826 [0,1,0,1,0,0|2,0,0]=4 15012 B16R1.4617 CCCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011215978 [0,1,0,1,0,0|1,0,0]=3 15013 B16R1.4617 CCCCCCC(C)N1CCSC1C(=O)O 269956a_100000035718_100011215978 [0,1,0,1,0,0|2,0,0]=4 15014 B16R1.4617 CCCCCCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100011215978 [0,1,0,1,0,0|2,0,0]=4 15015 B16R1.7532 CC1CCCC1C(=O)CCCCCC(=O)N 1458a_100000690547_100009817443 [0,1,0,1,0,0|1,0,1]=4 15016 B16R1.8787 NC(=O)CCCCCN1CCCCC(C1)O 2230a_100025706797_100009817443 [0,1,0,1,0,0|2,0,0]=4 15017 B16R1.8787 NC(=O)CCCCCN1CCCCC(C1)O 269982a_100025706797_100009817443 [0,1,0,1,0,0|2,0,0]=4 15018 B16R1.58045 CC(=O)CCCCNC1(CCCCCC1)C 34a_100000704638_100009817362 [0,1,0,1,0,0|2,0,0]=4 15019 B16R1.58045 CC(=O)CCCCOC1(CCCCCC1)C 34a_100000708895_100009817362 [0,1,0,1,0,0|2,0,0]=4 15020 B16R1.58045 CC(=O)CCCCOC1(CCCCCC1)C 7a_100000708895_100000735457 [0,1,0,1,0,0|2,0,0]=4 15021 B16R1.1498 CCCCC(C)N1CCCCC1CC(=O)N 2230a_100015184752_200011215066 [0,1,0,1,0,0|2,0,0]=4 15022 B16R1.1498 CCCCC(C)N1CCCCC1CC(=O)N 269982a_100015184752_200011215066 [0,1,0,1,0,0|2,0,0]=4 15023 B16R1.1498 CCCCC(C)N1CCCCC1CC(=O)N 270004a_100015184752_100000210087 [0,1,0,1,0,0|2,0,0]=4 15024 B16R1.1498 CCCCC(C)N1CCCCC1CC(=O)N 34a_100015184752_200011215066 [0,1,0,1,0,0|2,0,0]=4 15025 B16R1.1840 CCCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_200011215066 [0,1,0,1,0,0|1,0,0]=3 15026 B16R1.4493 CCCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011215066 [0,1,0,1,0,0|1,0,0]=3 15027 B16R1.6868 CC(C)CCCCCCNC1COC(=O)O1 34a_100000211014_100000032252 [0,1,0,1,0,0|2,0,0]=4 15028 B16R1.6868 CC(C)CCCCCNCC1CNC(=O)O1 2230a_100011290863_100000181169 [0,1,0,1,0,0|2,0,0]=4 15029 B16R1.6868 CC(C)CCCCCNCC1CNC(=O)O1 34a_100011290863_100000181169 [0,1,0,1,0,0|2,0,0]=4 15030 B16R1.6868 CC(C)CCCCCNCC1COC(=O)O1 34a_100011290863_100000073702 [0,1,0,1,0,0|2,0,0]=4 15031 B16R1.6868 CC(C)CCCCCNC[C@@H]1CCC(=O)N1 2230a_100011290863_100015189358 [0,1,0,1,0,0|2,0,0]=4 15032 B16R1.6868 CC(C)CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210682 [0,1,0,1,0,0|2,0,0]=4 15033 B16R1.6868 CC(C)CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210682 [0,1,0,1,0,0|2,0,0]=4 15034 B16R1.6868 CC(C)CCCCCOCC1CCC(=O)N1 34a_100000737831_100000210682 [0,1,0,1,0,0|2,0,0]=4 15035 B16R1.6868 CC(C)CCCCCOCC1CNC(=O)O1 34a_100011315639_100000210682 [0,1,0,1,0,0|2,0,0]=4 15036 B16R1.6868 CC(C)CCCCCOCC1CNC(=O)O1 34a_100011995859_100000181169 [0,1,0,1,0,0|2,0,0]=4 15037 B16R1.6868 CC(C)CCCCCOCC1CNC(=O)O1 7a_100011995859_100000181169 [0,1,0,1,0,0|2,0,0]=4 15038 B16R1.6868 CC(C)CCCCCOCC1COC(=O)O1 34a_100011995859_100000073702 [0,1,0,1,0,0|2,0,0]=4 15039 B16R1.6868 CC(C)CCCCCOC[C@@H]1CCC(=O)N1 7a_100011995859_100015189358 [0,1,0,1,0,0|2,0,0]=4 15040 B16R1.6868 CC(C)CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210682 [0,1,0,1,0,0|2,0,0]=4 15041 B16R1.6868 CC(C)CCCCCSCC1CNC(=O)O1 62a_100000210682_100000181169 [0,1,0,1,0,0|2,0,0]=4 15042 B16R1.6868 CC(C)CCCCCSCC1COC(=O)O1 62a_100000073702_100000210682 [0,1,0,1,0,0|2,0,0]=4 15043 B16R1.6868 CC(C)CCCCCSCC1COC(=O)O1 62a_100000210682_100000073702 [0,1,0,1,0,0|2,0,0]=4 15044 B16R1.6868 CC(C)CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210682_100015189358 [0,1,0,1,0,0|2,0,0]=4 15045 B16R1.6868 CC(C)CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210682 [0,1,0,1,0,0|2,0,0]=4 15046 B16R1.7472 CC(=O)CCCCOC1CC(CCC1C)C 34a_100011217446_100009817362 [0,1,0,1,0,0|2,0,0]=4 15047 B16R1.7472 CC(=O)CCCCOC1CC(CCC1C)C 7a_100011217446_100000735457 [0,1,0,1,0,0|2,0,0]=4 15048 B16R1.7472 CC1CCC(C(C1)NCCCCC(=O)N)C 269862a_100000696515_100000034887 [0,1,0,1,0,0|2,0,0]=4 15049 B16R1.7472 CC1CCC(C(C1)NCCCCC(=O)N)C 270004a_100000696515_100000034887 [0,1,0,1,0,0|2,0,0]=4 15050 B16R1.58035 CC(=O)CCCCNCCC1(CCCC1)O 34a_100000719956_100009817362 [0,1,0,1,0,0|2,0,0]=4 15051 B16R1.58035 NC(=O)CCCCCNCC1(CCCC1)O 2230a_100000737848_100009817443 [0,1,0,1,0,0|2,0,0]=4 15052 B16R1.58035 NC(=O)CCCCCOCC1(CCCC1)N 34a_100000749328_100009817443 [0,1,0,1,0,0|2,0,0]=4 15053 B16R1.7619 C=C(C)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000730704 [0,1,0,1,0,0|1,0,1]=4 15054 B16R1.7619 CC(=O)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000053229 [0,1,0,1,0,0|1,0,1]=4 15055 B16R1.7619 CC(C)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210312 [0,1,0,1,0,0|1,0,0]=3 15056 B16R1.7619 CC(C)OCN1CCCCC1CCC(=O)O 269956a_100000694054_100000709892 [0,1,0,1,0,0|2,0,0]=4 15057 B16R1.7619 CC(O)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100012276601 [0,1,0,1,0,0|1,0,0]=3 15058 B16R1.7619 CN(C)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000755713 [0,1,0,1,0,0|2,0,0]=4 15059 B16R1.12221 CC(C)CCCN1CCCCC1CC(=O)N 2230a_100015184752_100011214892 [0,1,0,1,0,0|2,0,0]=4 15060 B16R1.12221 CC(C)CCCN1CCCCC1CC(=O)N 269982a_100015184752_100011214892 [0,1,0,1,0,0|2,0,0]=4 15061 B16R1.12221 CC(C)CCCN1CCCCC1CC(=O)N 34a_100015184752_100011214892 [0,1,0,1,0,0|2,0,0]=4 15062 B16R1.12221 CC(O)CCCN1CCCCC1CC(=O)N 2230a_100015184752_200000718107 [0,1,0,1,0,0|2,0,0]=4 15063 B16R1.12221 CC(O)CCCN1CCCCC1CC(=O)N 269982a_100015184752_200000718107 [0,1,0,1,0,0|2,0,0]=4 15064 B16R1.12221 CC(O)CCCN1CCCCC1CC(=O)N 34a_100015184752_200000718107 [0,1,0,1,0,0|2,0,0]=4 15065 B16R1.12294 C=C(C)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000748629 [0,1,0,1,0,0|1,0,1]=4 15066 B16R1.12294 CC(C)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210760 [0,1,0,1,0,0|1,0,0]=3 15067 B16R1.12294 CC(O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218427 [0,1,0,1,0,0|1,0,0]=3 15068 B16R1.12294 C[C@@H](O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009817552 [0,1,0,1,0,0|1,0,0]=3 15069 B16R1.12294 O=C(O)[C@H]1CCCCCC[C@H]1NCC(F)F 269956a_200049070474_100011934356 [0,1,0,1,0,0|2,0,0]=4 15070 B16R1.12322 CC(=O)CCCCN1CCCCC1C(C)C 269982a_100000757267_100000735457 [0,1,0,1,0,0|2,0,0]=4 15071 B16R1.12322 CC(=O)CCCCN1CCCCC1C(C)C 34a_100000757267_100009817362 [0,1,0,1,0,0|2,0,0]=4 15072 B16R1.12322 CC(=O)CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000735457 [0,1,0,1,0,0|1,0,1]=4 15073 B16R1.12322 CC(=O)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215641 [0,1,0,1,0,0|1,0,1]=4 15074 B16R1.12322 CC(=O)CCCOC1CCCCC1C(C)C 34a_100011709184_100000685027 [0,1,0,1,0,0|2,0,0]=4 15075 B16R1.12322 CC(=O)CCCOC1CCCCC1C(C)C 7a_100011709184_100011215641 [0,1,0,1,0,0|2,0,0]=4 15076 B16R1.12322 CC(C)C1CCCCC1OCCCC(=O)N 34a_100011709184_100102525003 [0,1,0,1,0,0|2,0,0]=4 15077 B16R1.12322 CC(C)C1CCCCC1OCCCC(=O)N 7a_100011709184_100102525003 [0,1,0,1,0,0|2,0,0]=4 15078 B16R1.12322 CC(C)CCCCN1CCCCC1C(=O)N 2230a_100000181395_100011216152 [0,1,0,1,0,0|2,0,0]=4 15079 B16R1.12322 CC(C)CCCCN1CCCCC1C(=O)N 269982a_100000181395_100011216152 [0,1,0,1,0,0|2,0,0]=4 15080 B16R1.12322 CC(C)CCCCN1CCCCC1C(=O)N 34a_100000181395_100011216152 [0,1,0,1,0,0|2,0,0]=4 15081 B16R1.12322 CC(C)CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216152 [0,1,0,1,0,0|1,0,0]=3 15082 B16R1.12322 CC(C)CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011216152 [0,1,0,1,0,0|2,0,0]=4 15083 B16R1.12322 CC(C)CCCCN1CCSCC1C(=O)O 269956a_100011346106_100011216152 [0,1,0,1,0,0|2,0,0]=4 15084 B16R1.12322 CC(C)CCCCN1CSCCC1C(=O)O 269956a_100015185162_100011216152 [0,1,0,1,0,0|2,0,0]=4 15085 B16R1.12322 CC(C)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011214892 [0,1,0,1,0,0|1,0,0]=3 15086 B16R1.12322 CC(C)OCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000211751 [0,1,0,1,0,0|2,0,0]=4 15087 B16R1.12322 CC(C)SCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730970 [0,1,0,1,0,0|2,0,0]=4 15088 B16R1.12322 CC(O)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000718107 [0,1,0,1,0,0|1,0,0]=3 15089 B16R1.12322 CN(C)CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000690147 [0,1,0,1,0,0|2,0,0]=4 15090 B16R1.12322 CN(C)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757444 [0,1,0,1,0,0|2,0,0]=4 15091 B16R1.12324 CC(=O)CCCCN1CCCC1CC(C)C 269982a_100000748429_100000735457 [0,1,0,1,0,0|2,0,0]=4 15092 B16R1.12324 CC(=O)CCCCN1CCCC1CC(C)C 34a_100000748429_100009817362 [0,1,0,1,0,0|2,0,0]=4 15093 B16R1.12378 CC1(CCCCC1NCCCCC(=O)N)C 269862a_100000696515_100000031690 [0,1,0,1,0,0|2,0,0]=4 15094 B16R1.12379 CC(C)C1CCCN1CCCCCC(=O)N 2230a_100000762757_100009817443 [0,1,0,1,0,0|2,0,0]=4 15095 B16R1.12379 CC(C)C1CCCN1CCCCCC(=O)N 269982a_100000762757_100009817443 [0,1,0,1,0,0|2,0,0]=4 15096 B16R1.12379 CC(C)C1CCCN1CCCCCC(=O)N 34a_100000762757_100009817443 [0,1,0,1,0,0|2,0,0]=4 15097 B16R1.12379 CC(C)CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210682 [0,1,0,1,0,0|2,0,0]=4 15098 B16R1.12379 CC(C)CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210682 [0,1,0,1,0,0|1,0,0]=3 15099 B16R1.12379 CC(C)CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210682 [0,1,0,1,0,0|2,0,0]=4 15100 B16R1.12379 CC(C)CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210682 [0,1,0,1,0,0|2,0,0]=4 15101 B16R1.12416 CC(=O)CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215641 [0,1,0,1,0,0|1,0,1]=4 15102 B16R1.12416 CC(=O)CCCN1CCCCCC1C(C)C 269982a_100000697956_100011215641 [0,1,0,1,0,0|2,0,0]=4 15103 B16R1.12416 CC(=O)CCCN1CCCCCC1C(C)C 34a_100000697956_100000685027 [0,1,0,1,0,0|2,0,0]=4 15104 B16R1.12416 CC(C)C1CCCCCN1CCCC(=O)N 269982a_100000697956_100102525003 [0,1,0,1,0,0|2,0,0]=4 15105 B16R1.12416 CC(C)C1CCCCCN1CCCC(=O)N 34a_100000697956_100102525003 [0,1,0,1,0,0|2,0,0]=4 15106 B16R1.12416 CC(C)CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011214892 [0,1,0,1,0,0|1,0,0]=3 15107 B16R1.12416 CC(C)OCCN1CCCCCC1C(=O)O 269956a_100000758484_100000211751 [0,1,0,1,0,0|2,0,0]=4 15108 B16R1.12416 CC(C)SCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730970 [0,1,0,1,0,0|2,0,0]=4 15109 B16R1.12416 CC(O)CCCN1CCCCCC1C(=O)O 269956a_100000758484_200000718107 [0,1,0,1,0,0|1,0,0]=3 15110 B16R1.12416 CN(C)CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757444 [0,1,0,1,0,0|2,0,0]=4 15111 B16R1.12431 CC1(CCCC1OCCCCCC(=O)N)C 34a_100000726220_100009817443 [0,1,0,1,0,0|2,0,0]=4 15112 B16R1.12431 CC1(CCCC1OCCCCCC(=O)N)C 7a_100000726220_100009817443 [0,1,0,1,0,0|2,0,0]=4 15113 B16R1.12431 C[C@]1(CCC[C@H]1NCCCCCC(=O)N)O 2230a_100015977457_100009817443 [0,1,0,1,0,0|2,0,0]=4 15114 B16R1.12431 C[C@]1(CCC[C@H]1NCCCCCC(=O)N)O 34a_100015977457_100009817443 [0,1,0,1,0,0|2,0,0]=4 15115 B16R1.18056 CC(=O)CCN1CCCCCC1CC(C)C 269982a_100000759364_100000053229 [0,1,0,1,0,0|2,0,0]=4 15116 B16R1.18056 CC(C)CC1CCCCCN1CCC(=O)N 2230a_100000759364_100000744528 [0,1,0,1,0,0|2,0,0]=4 15117 B16R1.18056 CC(C)CC1CCCCCN1CCC(=O)N 269982a_100000759364_100000744528 [0,1,0,1,0,0|2,0,0]=4 15118 B16R1.18056 CC(C)CC1CCCCCN1CCC(=O)N 34a_100000759364_100000731001 [0,1,0,1,0,0|2,0,0]=4 15119 B16R1.52 CCCCCC(C)OCC1CCCC(=O)N1 34a_200000102386_200011218191 [0,1,0,1,0,0|2,0,0]=4 15120 B16R1.614 CC(NCCCCCC(=O)N)C1CCCC1 2230a_100015185923_100009817443 [0,1,0,1,0,0|2,0,0]=4 15121 B16R1.614 CC(NCCCCCC(=O)N)C1CCCC1 34a_100015185923_100009817443 [0,1,0,1,0,0|2,0,0]=4 15122 B16R1.614 CC(OCCCCCC(=O)N)C1CCCC1 34a_100011216366_100009817443 [0,1,0,1,0,0|2,0,0]=4 15123 B16R1.614 CC(OCCCCCC(=O)N)C1CCCC1 7a_100011216366_100009817443 [0,1,0,1,0,0|2,0,0]=4 15124 B16R1.1730 CCCCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210326 [0,1,0,1,0,0|1,0,1]=4 15125 B16R1.1730 CCCCCC(C)N1CCCCC1C(=O)N 2230a_100000181395_200011218191 [0,1,0,1,0,0|2,0,0]=4 15126 B16R1.1730 CCCCCC(C)N1CCCCC1C(=O)N 269982a_100000181395_200011218191 [0,1,0,1,0,0|2,0,0]=4 15127 B16R1.1730 CCCCCC(C)N1CCCCC1C(=O)N 270004a_100000181395_100000211708 [0,1,0,1,0,0|2,0,0]=4 15128 B16R1.1730 CCCCCC(C)N1CCCCC1C(=O)N 34a_100000181395_200011218191 [0,1,0,1,0,0|2,0,0]=4 15129 B16R1.1730 CCCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011218191 [0,1,0,1,0,0|1,0,0]=3 15130 B16R1.1730 CCCCCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200011218191 [0,1,0,1,0,0|2,0,0]=4 15131 B16R1.1730 CCCCCC(C)N1CCSCC1C(=O)O 269956a_100011346106_200011218191 [0,1,0,1,0,0|2,0,0]=4 15132 B16R1.1730 CCCCCC(C)N1CSCCC1C(=O)O 269956a_100015185162_200011218191 [0,1,0,1,0,0|2,0,0]=4 15133 B16R1.7394 CCCCCC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_200012276598 [0,1,0,1,0,0|1,0,1]=4 15134 B16R1.11230 CC(=O)CCCCOC1C(CCCC1C)C 34a_100011218088_100009817362 [0,1,0,1,0,0|2,0,0]=4 15135 B16R1.11230 CC(=O)CCCCOC1C(CCCC1C)C 7a_100011218088_100000735457 [0,1,0,1,0,0|2,0,0]=4 15136 B16R1.11230 CC1CCCC(C1NCCCCC(=O)N)C 269862a_100000696515_100000211995 [0,1,0,1,0,0|2,0,0]=4 15137 B16R1.11230 CC1CCCC(N1CCCCCC(=O)N)C 2230a_100000210447_100009817443 [0,1,0,1,0,0|2,0,0]=4 15138 B16R1.11230 CC1CCCC(N1CCCCCC(=O)N)C 269982a_100000210447_100009817443 [0,1,0,1,0,0|2,0,0]=4 15139 B16R1.11230 CC1CCCC(N1CCCCCC(=O)N)C 34a_100000210447_100009817443 [0,1,0,1,0,0|2,0,0]=4 15140 B16R1.58223 CC(=O)CCCCNCC1(CCCCC1)C 34a_100000706052_100009817362 [0,1,0,1,0,0|2,0,0]=4 15141 B16R1.58223 CC(=O)CCCCNCC1(CCCCC1)O 34a_100000748649_100009817362 [0,1,0,1,0,0|2,0,0]=4 15142 B16R1.58223 CC(=O)CCCCOCC1(CCCCC1)C 34a_100000688186_100009817362 [0,1,0,1,0,0|2,0,0]=4 15143 B16R1.58223 CC(=O)CCCCOCC1(CCCCC1)C 7a_100000688186_100000735457 [0,1,0,1,0,0|2,0,0]=4 15144 B16R1.58223 CC(=O)CCCCOCC1(CCCCC1)F 34a_100000090305_100009817362 [0,1,0,1,0,0|2,0,0]=4 15145 B16R1.58223 CC(=O)CCCCOCC1(CCCCC1)F 7a_100000090305_100000735457 [0,1,0,1,0,0|2,0,0]=4 15146 B16R1.58223 CC(=O)CCCCOCC1(CCCCC1)N 34a_100000740034_100009817362 [0,1,0,1,0,0|2,0,0]=4 15147 B16R1.58223 CC(=O)CCCNCCC1(CCCCC1)O 34a_100102740465_100000685027 [0,1,0,1,0,0|2,0,0]=4 15148 B16R1.58223 CC1(CCCCC1)CNCCCCC(=O)N 269862a_100000696515_100011935227 [0,1,0,1,0,0|2,0,0]=4 15149 B16R1.58223 CC1(CCCCC1)NCCCCCC(=O)N 2230a_100000741114_100009817443 [0,1,0,1,0,0|2,0,0]=4 15150 B16R1.58223 CC1(CCCCC1)NCCCCCC(=O)N 34a_100000741114_100009817443 [0,1,0,1,0,0|2,0,0]=4 15151 B16R1.58223 CC1(CCCCC1)OCCCCCC(=O)N 34a_100011215885_100009817443 [0,1,0,1,0,0|2,0,0]=4 15152 B16R1.58223 CC1(CCCCC1)OCCCCCC(=O)N 7a_100011215885_100009817443 [0,1,0,1,0,0|2,0,0]=4 15153 B16R1.58223 NC(=O)CCCNCCC1(CCCCC1)O 34a_100102740465_100102525003 [0,1,0,1,0,0|2,0,0]=4 15154 B16R1.77 CC(=O)CCCCNCC1CCC(CC1)C 34a_103436935547_100009817362 [0,1,0,1,0,0|2,0,0]=4 15155 B16R1.77 CC(=O)CCCCOCC1CCC(CC1)C 34a_100000701341_100009817362 [0,1,0,1,0,0|2,0,0]=4 15156 B16R1.77 CC(=O)CCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009817362 [0,1,0,1,0,0|2,0,0]=4 15157 B16R1.77 CC(=O)CCCNCCC1CCC(CC1)O 34a_200011935226_100000685027 [0,1,0,1,0,0|2,0,0]=4 15158 B16R1.77 CC(=O)CCCOCCC1CCC(CC1)N 34a_100000070672_100000685027 [0,1,0,1,0,0|2,0,0]=4 15159 B16R1.77 CC1CCC(CC1)OCCCCCC(=O)N 34a_100000123541_200011216234 [0,1,0,1,0,0|2,0,0]=4 15160 B16R1.77 CC1CCC(CC1)OCCCCCC(=O)N 34a_100000210714_100009817443 [0,1,0,1,0,0|2,0,0]=4 15161 B16R1.77 CC1CCC(CC1)OCCCCCC(=O)N 7a_100000210714_100009817443 [0,1,0,1,0,0|2,0,0]=4 15162 B16R1.77 CC1CCC(CC1)SCCCCCC(=O)N 62a_100009817443_200011216234 [0,1,0,1,0,0|2,0,0]=4 15163 B16R1.77 C[C@H]1CC[C@@H](CC1)NCCCCCC(=O)N 2230a_100020625639_100009817443 [0,1,0,1,0,0|2,0,0]=4 15164 B16R1.77 C[C@H]1CC[C@@H](CC1)NCCCCCC(=O)N 34a_100020625639_100009817443 [0,1,0,1,0,0|2,0,0]=4 15165 B16R1.77 NC(=O)CCCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009817443 [0,1,0,1,0,0|2,0,0]=4 15166 B16R1.77 NC(=O)CCCNCCC1CCC(CC1)O 34a_200011935226_100102525003 [0,1,0,1,0,0|2,0,0]=4 15167 B16R1.77 NC(=O)CCCOCCC1CCC(CC1)N 34a_100000070672_100102525003 [0,1,0,1,0,0|2,0,0]=4 15168 B16R1.84 CC(=O)CCCCNC1CCCC(C1C)C 34a_100000211273_100009817362 [0,1,0,1,0,0|2,0,0]=4 15169 B16R1.84 CC(=O)CCCCOC1CCCC(C1C)C 34a_100011217532_100009817362 [0,1,0,1,0,0|2,0,0]=4 15170 B16R1.84 CC(=O)CCCCOC1CCCC(C1C)C 7a_100011217532_100000735457 [0,1,0,1,0,0|2,0,0]=4 15171 B16R1.1178 CCC(C)C1CCCCC1NCCC(=O)N 269862a_100000740010_100011216798 [0,1,0,1,0,0|2,0,0]=4 15172 B16R1.1312 CCC(C)CCCCCOCC1CC(=O)C1 7a_200000035636_100009874392 [0,1,0,1,0,0|2,0,0]=4 15173 B16R1.3262 CCN(C)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100015186262 [0,1,0,1,0,0|2,0,0]=4 15174 B16R1.4413 CCC(=O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000747405 [0,1,0,1,0,0|1,0,1]=4 15175 B16R1.4413 CCC(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000748023 [0,1,0,1,0,0|1,0,0]=3 15176 B16R1.4413 CCC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011218378 [0,1,0,1,0,0|1,0,0]=3 15177 B16R1.4413 CC[C@H](C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100009816398 [0,1,0,1,0,0|1,0,0]=3 15178 B16R1.4413 C[C@@H](CO)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000059175 [0,1,0,1,0,0|2,0,0]=4 15179 B16R1.4413 O=C(O)CCC1CCCCN1CC(O)CO 269956a_100000694054_100011219619 [0,1,0,1,0,0|2,0,0]=4 15180 B16R1.4413 O=C(O)CCC1CCCCN1C[C@@H](O)CF 269956a_100000694054_100015614560 [0,1,0,1,0,0|2,0,0]=4 15181 B16R1.4413 O=C(O)CCC1CCCCN1C[C@@H](O)CO 269956a_100000694054_100009815848 [0,1,0,1,0,0|2,0,0]=4 15182 B16R1.78089 CCC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000758301 [0,1,0,1,0,0|1,0,0]=3 15183 B16R1.78089 COC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009879195 [0,1,0,1,0,0|2,0,0]=4 15184 B16R1.78089 C[C@H](CO)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100016084084 [0,1,0,1,0,0|2,0,0]=4 15185 B16R1.63 CCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210759 [0,1,0,1,0,0|1,0,1]=4 15186 B16R1.63 CCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210759 [0,1,0,1,0,0|0,0,1]=3 15187 B16R1.63 CCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000229938_100009814974 [0,1,0,1,0,0|1,0,1]=4 15188 B16R1.63 CCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000229938_100009814974 [0,1,0,1,0,0|1,0,1]=4 15189 B16R1.63 CCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000229938_100009814974 [0,1,0,1,0,0|1,0,1]=4 15190 B16R1.63 CCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000229938_100009814974 [0,1,0,1,0,0|1,0,1]=4 15191 B16R1.63 COCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011998445 [0,1,0,1,0,0|1,0,1]=4 15192 B16R1.63 O=C1CC[C@H](O1)C(=O)CCCCCCCO 1458a_100009814974_100000760002 [0,1,0,1,0,0|1,0,1]=4 15193 B16R1.241 CCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210757 [0,1,0,1,0,0|1,0,0]=3 15194 B16R1.241 CCCCOCN1CC(CCC1C(=O)O)O 269956a_100000089875_100011995733 [0,1,0,1,0,0|2,0,0]=4 15195 B16R1.241 CCCOCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100011215938 [0,1,0,1,0,0|2,0,0]=4 15196 B16R1.241 CCOCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100012232248 [0,1,0,1,0,0|2,0,0]=4 15197 B16R1.241 COCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000730899 [0,1,0,1,0,0|2,0,0]=4 15198 B16R1.241 O=C(O)C1CCC(CN1CCCCCF)O 269956a_100000089875_100000729378 [0,1,0,1,0,0|2,0,0]=4 15199 B16R1.241 O=C(O)C1CCC(CN1CCCCCO)O 269956a_100000089875_100000746330 [0,1,0,1,0,0|2,0,0]=4 15200 B16R1.608 CC(=O)CCCC(=O)CCC1CCCCC1 1458a_100000211375_100011215641 [0,1,0,1,0,0|1,0,1]=4 15201 B16R1.608 CC(CCCC(=O)[O-])OCC1CCCCC1 7a_100000761597_100000211423 [0,1,0,1,0,0|1,0,1]=4 15202 B16R1.608 CN(CCCC(=O)O)CCC1CCCCC1 269956a_100000719178_100011273959 [0,1,0,1,0,0|1,0,0]=3 15203 B16R1.608 CN(CCCC(=O)O)CCC1CCOCC1 269956a_100000719178_100011934994 [0,1,0,1,0,0|2,0,0]=4 15204 B16R1.608 CN(CCCC(=O)O)CCN1CCCCC1 269956a_100000719178_100000739454 [0,1,0,1,0,0|2,0,0]=4 15205 B16R1.608 CN(CCCC(=O)O)COC1CCCCC1 269956a_100000719178_100011935260 [0,1,0,1,0,0|2,0,0]=4 15206 B16R1.608 NC(=O)CCCC(=O)CCC1CCCCC1 1458a_100000211375_100102525003 [0,1,0,1,0,0|1,0,1]=4 15207 B16R1.5835 CCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210188_100009874392 [0,1,0,1,0,0|1,0,1]=4 15208 B16R1.5835 CCCCCCCCN(C)CC1CC(=O)C1 2230a_100000207567_100009874392 [0,1,0,1,0,0|2,0,0]=4 15209 B16R1.5835 CCCCCCCCN(C)CC1CC(=O)C1 269982a_100000207567_100009874392 [0,1,0,1,0,0|2,0,0]=4 15210 B16R1.7414 CN(CCCC(=O)O)CC1CCCCN1C 269956a_100000719178_100015185383 [0,1,0,1,0,0|2,0,0]=4 15211 B16R1.7568 CN(CCCC(=O)O)CCC1CCCN1C 269956a_100000719178_100000005710 [0,1,0,1,0,0|2,0,0]=4 15212 B16R1.12527 CC(=O)CCCN(C)CCCC1CCCC1 269982a_100015186261_100011215641 [0,1,0,1,0,0|2,0,0]=4 15213 B16R1.12527 CC(=O)CCCN(C)CCCC1CCCC1 34a_100015186261_100000685027 [0,1,0,1,0,0|2,0,0]=4 15214 B16R1.12527 CC(CCCC(=O)[O-])OCCC1CCCC1 7a_100000761597_100000760354 [0,1,0,1,0,0|1,0,1]=4 15215 B16R1.12527 CN(CCCC(=O)N)CCCC1CCCC1 269982a_100015186261_100102525003 [0,1,0,1,0,0|2,0,0]=4 15216 B16R1.12527 CN(CCCC(=O)N)CCCC1CCCC1 34a_100015186261_100102525003 [0,1,0,1,0,0|2,0,0]=4 15217 B16R1.12527 CN(CCCC(=O)O)CCCC1CCCC1 269956a_100000719178_100011713738 [0,1,0,1,0,0|1,0,0]=3 15218 B16R1.12527 CN(CCCC(=O)O)CCCN1CCCC1 269956a_100000719178_100011445909 [0,1,0,1,0,0|2,0,0]=4 15219 B16R1.58008 CC(=O)CCCC(=O)CC1CCCCCC1 1458a_100000685095_100011215641 [0,1,0,1,0,0|1,0,1]=4 15220 B16R1.58008 CN(CCCC(=O)O)CC1CCCCCC1 269956a_100000719178_200000696569 [0,1,0,1,0,0|1,0,0]=3 15221 B16R1.58008 NC(=O)CCCC(=O)CC1CCCCCC1 1458a_100000685095_100102525003 [0,1,0,1,0,0|1,0,1]=4 15222 B16R2.55 CCCC1CCCCN1C2COC(=O)O2 34a_100000701414_100000032252 [0,0,0,2,0,0|2,0,0]=4 15223 B16R2.173 CCC1CCCCC1OC2COC(=O)O2 34a_100000210738_100000032252 [0,0,0,2,0,0|2,0,0]=4 15224 B16R2.173 CCC1CCCCN1CC2CNC(=O)O2 2230a_100000210034_100000181169 [0,0,0,2,0,0|2,0,0]=4 15225 B16R2.173 CCC1CCCCN1CC2CNC(=O)O2 269982a_100000210034_100000181169 [0,0,0,2,0,0|2,0,0]=4 15226 B16R2.173 CCC1CCCCN1CC2CNC(=O)O2 34a_100000210034_100000181169 [0,0,0,2,0,0|2,0,0]=4 15227 B16R2.173 CCC1CCCCN1CC2COC(=O)O2 269982a_100000210034_100000073702 [0,0,0,2,0,0|2,0,0]=4 15228 B16R2.173 CCC1CCCCN1CC2COC(=O)O2 34a_100000210034_100000073702 [0,0,0,2,0,0|2,0,0]=4 15229 B16R2.173 CCC1CCCCN1C[C@@H]2CCC(=O)N2 2230a_100000210034_100015189358 [0,0,0,2,0,0|2,0,0]=4 15230 B16R2.173 CCC1CCCCN1C[C@@H]2CCC(=O)N2 269982a_100000210034_100015189358 [0,0,0,2,0,0|2,0,0]=4 15231 B16R2.1513 CCC1CCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000749056 [0,0,0,2,0,0|2,0,0]=4 15232 B16R2.1513 CCC1CCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100000749056 [0,0,0,2,0,0|2,0,0]=4 15233 B16R2.2832 O=C1CCC(C1)OCCC2CCCCC2 34a_100012614533_100011209188 [0,0,0,2,0,0|2,0,0]=4 15234 B16R2.2832 O=C1CCC(N1)COCC2CCCCC2 34a_100000737831_100000211423 [0,0,0,2,0,0|2,0,0]=4 15235 B16R2.2832 O=C1CC[C@@H](N1)CNCC2CCCCC2 2230a_100015423886_100000211423 [0,0,0,2,0,0|2,0,0]=4 15236 B16R2.2832 O=C1CC[C@@H](N1)CNCC2CCCCC2 269862a_100015423886_100000211278 [0,0,0,2,0,0|2,0,0]=4 15237 B16R2.2832 O=C1CC[C@@H](N1)CNCC2CCCCC2 34a_100015423886_100000211423 [0,0,0,2,0,0|2,0,0]=4 15238 B16R2.2832 O=C1CC[C@H](N1)CNCC2CCCCC2 2230a_100000210473_100015189358 [0,0,0,2,0,0|2,0,0]=4 15239 B16R2.2832 O=C1CC[C@H](N1)COCC2CCCCC2 7a_100000212181_100015189358 [0,0,0,2,0,0|2,0,0]=4 15240 B16R2.2832 O=C1CC[C@H](N1)CSCC2CCCCC2 62a_100000211423_100015189358 [0,0,0,2,0,0|2,0,0]=4 15241 B16R2.2832 O=C1CC[C@H](N1)CSCC2CCCCC2 62a_100015189358_100000211423 [0,0,0,2,0,0|2,0,0]=4 15242 B16R2.2832 O=C1NCC(O1)CNCC2CCCCC2 2230a_100000210473_100000181169 [0,0,0,2,0,0|2,0,0]=4 15243 B16R2.2832 O=C1NCC(O1)CNCC2CCCCC2 34a_100000210473_100000181169 [0,0,0,2,0,0|2,0,0]=4 15244 B16R2.2832 O=C1NCC(O1)COCC2CCCCC2 34a_100000212181_100000181169 [0,0,0,2,0,0|2,0,0]=4 15245 B16R2.2832 O=C1NCC(O1)COCC2CCCCC2 34a_100011315639_100000211423 [0,0,0,2,0,0|2,0,0]=4 15246 B16R2.2832 O=C1NCC(O1)COCC2CCCCC2 7a_100000212181_100000181169 [0,0,0,2,0,0|2,0,0]=4 15247 B16R2.2832 O=C1NCC(O1)CSCC2CCCCC2 62a_100000181169_100000211423 [0,0,0,2,0,0|2,0,0]=4 15248 B16R2.2832 O=C1NCC(O1)CSCC2CCCCC2 62a_100000211423_100000181169 [0,0,0,2,0,0|2,0,0]=4 15249 B16R2.2832 O=C1OCC(O1)CNCC2CCCCC2 34a_100000210473_100000073702 [0,0,0,2,0,0|2,0,0]=4 15250 B16R2.2832 O=C1OCC(O1)COCC2CCCCC2 34a_100000212181_100000073702 [0,0,0,2,0,0|2,0,0]=4 15251 B16R2.2832 O=C1OCC(O1)CSCC2CCCCC2 62a_100000073702_100000211423 [0,0,0,2,0,0|2,0,0]=4 15252 B16R2.2832 O=C1OCC(O1)CSCC2CCCCC2 62a_100000211423_100000073702 [0,0,0,2,0,0|2,0,0]=4 15253 B16R2.2832 O=C1OCC(O1)NCCC2CCCCC2 34a_100000738074_100000032252 [0,0,0,2,0,0|2,0,0]=4 15254 B16R2.2832 O=C1OCC(O1)OCCC2CCCCC2 34a_100011217863_100000032252 [0,0,0,2,0,0|2,0,0]=4 15255 B16R2.2832 O=C1OCC(O1)SCCC2CCCCC2 62a_100012355289_100000032252 [0,0,0,2,0,0|2,0,0]=4 15256 B16R2.2842 O=C1CCC(C1)OCCCC2CCCC2 34a_100012614533_100011713738 [0,0,0,2,0,0|2,0,0]=4 15257 B16R2.2842 O=C1CCC(N1)COCCC2CCCC2 34a_100000737831_100000760354 [0,0,0,2,0,0|2,0,0]=4 15258 B16R2.2842 O=C1CC[C@@H](N1)CNCCC2CCCC2 2230a_100015423886_100000760354 [0,0,0,2,0,0|2,0,0]=4 15259 B16R2.2842 O=C1CC[C@@H](N1)CNCCC2CCCC2 34a_100015423886_100000760354 [0,0,0,2,0,0|2,0,0]=4 15260 B16R2.2842 O=C1CC[C@H](N1)CNCCC2CCCC2 2230a_100000739158_100015189358 [0,0,0,2,0,0|2,0,0]=4 15261 B16R2.2842 O=C1CC[C@H](N1)COCCC2CCCC2 7a_100000749090_100015189358 [0,0,0,2,0,0|2,0,0]=4 15262 B16R2.2842 O=C1CC[C@H](N1)CSCCC2CCCC2 62a_100000760354_100015189358 [0,0,0,2,0,0|2,0,0]=4 15263 B16R2.2842 O=C1CC[C@H](N1)CSCCC2CCCC2 62a_100015189358_100000760354 [0,0,0,2,0,0|2,0,0]=4 15264 B16R2.2842 O=C1NCC(O1)CNCCC2CCCC2 2230a_100000739158_100000181169 [0,0,0,2,0,0|2,0,0]=4 15265 B16R2.2842 O=C1NCC(O1)CNCCC2CCCC2 34a_100000739158_100000181169 [0,0,0,2,0,0|2,0,0]=4 15266 B16R2.2842 O=C1NCC(O1)COCCC2CCCC2 34a_100000749090_100000181169 [0,0,0,2,0,0|2,0,0]=4 15267 B16R2.2842 O=C1NCC(O1)COCCC2CCCC2 34a_100011315639_100000760354 [0,0,0,2,0,0|2,0,0]=4 15268 B16R2.2842 O=C1NCC(O1)COCCC2CCCC2 7a_100000749090_100000181169 [0,0,0,2,0,0|2,0,0]=4 15269 B16R2.2842 O=C1NCC(O1)CSCCC2CCCC2 62a_100000181169_100000760354 [0,0,0,2,0,0|2,0,0]=4 15270 B16R2.2842 O=C1NCC(O1)CSCCC2CCCC2 62a_100000760354_100000181169 [0,0,0,2,0,0|2,0,0]=4 15271 B16R2.2842 O=C1OCC(O1)CNCCC2CCCC2 34a_100000739158_100000073702 [0,0,0,2,0,0|2,0,0]=4 15272 B16R2.2842 O=C1OCC(O1)COCCC2CCCC2 34a_100000749090_100000073702 [0,0,0,2,0,0|2,0,0]=4 15273 B16R2.2842 O=C1OCC(O1)CSCCC2CCCC2 62a_100000073702_100000760354 [0,0,0,2,0,0|2,0,0]=4 15274 B16R2.2842 O=C1OCC(O1)CSCCC2CCCC2 62a_100000760354_100000073702 [0,0,0,2,0,0|2,0,0]=4 15275 B16R2.2842 O=C1OCC(O1)NCCCC2CCCC2 34a_100000736752_100000032252 [0,0,0,2,0,0|2,0,0]=4 15276 B16R2.2842 O=C1OCC(O1)OCCCC2CCCC2 34a_100011215328_100000032252 [0,0,0,2,0,0|2,0,0]=4 15277 B16R2.2842 O=C1OCC(O1)SCCCC2CCCC2 62a_100011713738_100000032252 [0,0,0,2,0,0|2,0,0]=4 15278 B16R2.11407 O=C1CCC(C1)OCC2CCCCCC2 34a_100012614533_200000696569 [0,0,0,2,0,0|2,0,0]=4 15279 B16R2.11407 O=C1CCC(N1)COC2CCCCCC2 34a_100000737831_100011217769 [0,0,0,2,0,0|2,0,0]=4 15280 B16R2.11407 O=C1CC[C@@H](N1)CNC2CCCCCC2 270004a_100015423886_100000210131 [0,0,0,2,0,0|2,0,0]=4 15281 B16R2.11407 O=C1CC[C@@H](N1)CNC2CCCCCC2 34a_100015423886_100011217769 [0,0,0,2,0,0|2,0,0]=4 15282 B16R2.11407 O=C1CC[C@H](N1)CNC2CCCCCC2 2230a_100000210984_100015189358 [0,0,0,2,0,0|2,0,0]=4 15283 B16R2.11407 O=C1CC[C@H](N1)COC2CCCCCC2 7a_100000210887_100015189358 [0,0,0,2,0,0|2,0,0]=4 15284 B16R2.11407 O=C1CC[C@H](N1)CSC2CCCCCC2 62a_100011217769_100015189358 [0,0,0,2,0,0|2,0,0]=4 15285 B16R2.11407 O=C1CC[C@H](N1)CSC2CCCCCC2 62a_100015189358_100011217769 [0,0,0,2,0,0|2,0,0]=4 15286 B16R2.11407 O=C1NCC(O1)CNC2CCCCCC2 2230a_100000210984_100000181169 [0,0,0,2,0,0|2,0,0]=4 15287 B16R2.11407 O=C1NCC(O1)CNC2CCCCCC2 34a_100000210984_100000181169 [0,0,0,2,0,0|2,0,0]=4 15288 B16R2.11407 O=C1NCC(O1)COC2CCCCCC2 34a_100000210887_100000181169 [0,0,0,2,0,0|2,0,0]=4 15289 B16R2.11407 O=C1NCC(O1)COC2CCCCCC2 34a_100011315639_100011217769 [0,0,0,2,0,0|2,0,0]=4 15290 B16R2.11407 O=C1NCC(O1)COC2CCCCCC2 7a_100000210887_100000181169 [0,0,0,2,0,0|2,0,0]=4 15291 B16R2.11407 O=C1NCC(O1)CSC2CCCCCC2 62a_100000181169_100011217769 [0,0,0,2,0,0|2,0,0]=4 15292 B16R2.11407 O=C1NCC(O1)CSC2CCCCCC2 62a_100011217769_100000181169 [0,0,0,2,0,0|2,0,0]=4 15293 B16R2.11407 O=C1OCC(O1)CNC2CCCCCC2 34a_100000210984_100000073702 [0,0,0,2,0,0|2,0,0]=4 15294 B16R2.11407 O=C1OCC(O1)COC2CCCCCC2 34a_100000210887_100000073702 [0,0,0,2,0,0|2,0,0]=4 15295 B16R2.11407 O=C1OCC(O1)CSC2CCCCCC2 62a_100000073702_100011217769 [0,0,0,2,0,0|2,0,0]=4 15296 B16R2.11407 O=C1OCC(O1)CSC2CCCCCC2 62a_100011217769_100000073702 [0,0,0,2,0,0|2,0,0]=4 15297 B16R2.11407 O=C1OCC(O1)NCC2CCCCCC2 34a_100015204231_100000032252 [0,0,0,2,0,0|2,0,0]=4 15298 B16R2.11407 O=C1OCC(O1)OCC2CCCCCC2 34a_100000699130_100000032252 [0,0,0,2,0,0|2,0,0]=4 15299 B16R2.11407 O=C1OCC(O1)SCC2CCCCCC2 62a_200000696569_100000032252 [0,0,0,2,0,0|2,0,0]=4 15300 B16R2.11414 CC1CCCCC1NCC2CNC(=O)O2 2230a_100000211402_100000181169 [0,0,0,2,0,0|2,0,0]=4 15301 B16R2.11414 CC1CCCCC1NCC2CNC(=O)O2 34a_100000211402_100000181169 [0,0,0,2,0,0|2,0,0]=4 15302 B16R2.11414 CC1CCCCC1NCC2COC(=O)O2 34a_100000211402_100000073702 [0,0,0,2,0,0|2,0,0]=4 15303 B16R2.11414 CC1CCCCC1NC[C@@H]2CCC(=O)N2 2230a_100000211402_100015189358 [0,0,0,2,0,0|2,0,0]=4 15304 B16R2.11414 CC1CCCCC1NC[C@H]2CCC(=O)N2 269862a_100015423886_100000210921 [0,0,0,2,0,0|2,0,0]=4 15305 B16R2.11414 CC1CCCCC1NC[C@H]2CCC(=O)N2 270004a_100015423886_100000210921 [0,0,0,2,0,0|2,0,0]=4 15306 B16R2.11414 CC1CCCCC1OCC2CNC(=O)O2 34a_100000211207_100000181169 [0,0,0,2,0,0|2,0,0]=4 15307 B16R2.11414 CC1CCCCC1OCC2CNC(=O)O2 7a_100000211207_100000181169 [0,0,0,2,0,0|2,0,0]=4 15308 B16R2.11414 CC1CCCCC1OCC2COC(=O)O2 34a_100000211207_100000073702 [0,0,0,2,0,0|2,0,0]=4 15309 B16R2.11414 CC1CCCCC1OC[C@@H]2CCC(=O)N2 7a_100000211207_100015189358 [0,0,0,2,0,0|2,0,0]=4 15310 B16R2.11458 O=C1OCC(O1)N2CCCCCCCC2 34a_100000039187_100000032252 [0,0,0,2,0,0|2,0,0]=4 15311 B16R2.11527 O=C1CC[C@H](N1)CN2CCCCCCC2 2230a_100000211400_100015189358 [0,0,0,2,0,0|2,0,0]=4 15312 B16R2.11527 O=C1CC[C@H](N1)CN2CCCCCCC2 269982a_100000211400_100015189358 [0,0,0,2,0,0|2,0,0]=4 15313 B16R2.11527 O=C1NCC(O1)CN2CCCCCCC2 2230a_100000211400_100000181169 [0,0,0,2,0,0|2,0,0]=4 15314 B16R2.11527 O=C1NCC(O1)CN2CCCCCCC2 269982a_100000211400_100000181169 [0,0,0,2,0,0|2,0,0]=4 15315 B16R2.11527 O=C1NCC(O1)CN2CCCCCCC2 34a_100000211400_100000181169 [0,0,0,2,0,0|2,0,0]=4 15316 B16R2.11527 O=C1OCC(O1)CN2CCCCCCC2 269982a_100000211400_100000073702 [0,0,0,2,0,0|2,0,0]=4 15317 B16R2.11527 O=C1OCC(O1)CN2CCCCCCC2 34a_100000211400_100000073702 [0,0,0,2,0,0|2,0,0]=4 15318 B16R2.11527 O=C1OCC(O1)NC2CCCCCCC2 34a_100000211152_100000032252 [0,0,0,2,0,0|2,0,0]=4 15319 B16R2.11527 O=C1OCC(O1)OC2CCCCCCC2 34a_100000210054_100000032252 [0,0,0,2,0,0|2,0,0]=4 15320 B16R2.477 CC(=O)CCN1CCC2CCCCC2C1 269982a_100000211783_100000053229 [0,0,0,2,0,0|2,0,0]=4 15321 B16R2.477 NC(=O)CCN1CCC2CCCCC2C1 2230a_100000211783_100000744528 [0,0,0,2,0,0|2,0,0]=4 15322 B16R2.477 NC(=O)CCN1CCC2CCCCC2C1 269982a_100000211783_100000744528 [0,0,0,2,0,0|2,0,0]=4 15323 B16R2.477 NC(=O)CCN1CCC2CCCCC2C1 34a_100000211783_100000731001 [0,0,0,2,0,0|2,0,0]=4 15324 B16R2.477 NC(=O)COC1CCC2CCCCC2C1 34a_100000211317_100000187820 [0,0,0,2,0,0|2,0,0]=4 15325 B16R2.477 NC(=O)COC1CCC2CCCCC2C1 7a_100000211317_100000187820 [0,0,0,2,0,0|2,0,0]=4 15326 B16R2.477 O=C([O-])COC1CCC2CCCCC2C1 34a_100000211317_100020667443 [0,0,0,2,0,0|1,0,1]=4 15327 B16R2.35002 CC(=O)CCCCN1CC2CCC1CC2 269982a_100000750499_100000735457 [0,0,0,2,0,0|2,0,0]=4 15328 B16R2.35002 CC(=O)CCCCN1CC2CCC1CC2 34a_100000750499_100009817362 [0,0,0,2,0,0|2,0,0]=4 15329 B16R2.36503 CCC1CCCCC1OCC2CC(=O)C2 7a_100000210738_100009874392 [0,0,0,2,0,0|2,0,0]=4 15330 B16R2.6028 CCC1CCCC1N2CCC[C@H]2C(=O)N 270004a_100000003125_100000749056 [0,0,0,2,0,0|2,0,0]=4 15331 B16R2.27160 CC(=O)CCOC1CCC2CCCC2C1 7a_100000073670_100000053229 [0,0,0,2,0,0|2,0,0]=4 15332 B16R2.27160 NC(=O)CCOC1CCC2CCCC2C1 34a_100000073670_100000731001 [0,0,0,2,0,0|2,0,0]=4 15333 B16R2.27160 NC(=O)CCOC1CCC2CCCC2C1 7a_100000073670_100000744528 [0,0,0,2,0,0|2,0,0]=4 15334 B16R2.27322 CC(=O)CCCCSC1C2CCC1CC2 62a_100000735457_100009813300 [0,0,0,2,0,0|2,0,0]=4 15335 B16R2.27322 CC(=O)CCCCSC1C2CCC1CC2 62a_100009813300_100000735457 [0,0,0,2,0,0|2,0,0]=4 15336 B16R2.27322 NC(=O)CCCCCN1C2CCC1CC2 2230a_100000735658_100009817443 [0,0,0,2,0,0|2,0,0]=4 15337 B16R2.27322 NC(=O)CCCCCN1C2CCC1CC2 269982a_100000735658_100009817443 [0,0,0,2,0,0|2,0,0]=4 15338 B16R2.27322 NC(=O)CCCCCN1C2CCC1CC2 34a_100000735658_100009817443 [0,0,0,2,0,0|2,0,0]=4 15339 B16R2.27322 NC(=O)CCCCNC1C2CCC1CC2 34a_100000696515_100009813300 [0,0,0,2,0,0|2,0,0]=4 15340 B16R2.27322 NC(=O)CCCCOC1C2CCC1CC2 34a_100012022536_100009813300 [0,0,0,2,0,0|2,0,0]=4 15341 B16R2.27322 O=C(O)COCCNC1C2CCC1CC2 269956a_100000700818_100009813300 [0,0,0,2,0,0|2,0,0]=4 15342 B16R2.27344 NC(=O)CCCCCN1CCCC12CC2 2230a_100020620911_100009817443 [0,0,0,2,0,0|2,0,0]=4 15343 B16R2.27344 NC(=O)CCCCCN1CCCC12CC2 269982a_100020620911_100009817443 [0,0,0,2,0,0|2,0,0]=4 15344 B16R2.27344 NC(=O)CCCCCN1CCCC12CC2 34a_100020620911_100009817443 [0,0,0,2,0,0|2,0,0]=4 15345 B16R2.27344 NC(=O)CCCCNC1CCCC12CC2 269862a_100000696515_100009881796 [0,0,0,2,0,0|2,0,0]=4 15346 B16R2.85359 CC(=O)CCCCNC1CC2CCC1C2 34a_100000758229_100009817362 [0,0,0,2,0,0|2,0,0]=4 15347 B16R2.85359 CC(=O)CCCCOC1CC2CCC1C2 34a_100000211339_100009817362 [0,0,0,2,0,0|2,0,0]=4 15348 B16R2.85359 CC(=O)CCCCSC1CC2CCC1C2 62a_100000727232_100000735457 [0,0,0,2,0,0|2,0,0]=4 15349 B16R2.85359 CC(=O)CCCCSC1CC2CCC1C2 62a_100000735457_100000727232 [0,0,0,2,0,0|2,0,0]=4 15350 B16R2.85359 CC(=O)CCCOCC1CC2CCC1C2 34a_100000229996_100000685027 [0,0,0,2,0,0|2,0,0]=4 15351 B16R2.85359 NC(=O)CCCCCN1CC2CCC1C2 2230a_100000743476_100009817443 [0,0,0,2,0,0|2,0,0]=4 15352 B16R2.85359 NC(=O)CCCCCN1CC2CCC1C2 269982a_100000743476_100009817443 [0,0,0,2,0,0|2,0,0]=4 15353 B16R2.85359 NC(=O)CCCCCN1CC2CCC1C2 34a_100000743476_100009817443 [0,0,0,2,0,0|2,0,0]=4 15354 B16R2.85359 NC(=O)CCCCNC1CC2CCC1C2 269862a_100000696515_100000223372 [0,0,0,2,0,0|2,0,0]=4 15355 B16R2.85359 NC(=O)CCCCNC1CC2CCC1C2 270004a_100000696515_100000223372 [0,0,0,2,0,0|2,0,0]=4 15356 B16R2.85359 NC(=O)CCCCNC1CC2CCC1C2 34a_100000696515_100000727232 [0,0,0,2,0,0|2,0,0]=4 15357 B16R2.85359 NC(=O)CCCCOC1CC2CCC1C2 34a_100012022536_100000727232 [0,0,0,2,0,0|2,0,0]=4 15358 B16R2.85359 NC(=O)CCCNCC1CC2CCC1C2 269862a_100000739312_100000697602 [0,0,0,2,0,0|2,0,0]=4 15359 B16R2.85359 NC(=O)CCCOCC1CC2CCC1C2 34a_100000229996_100102525003 [0,0,0,2,0,0|2,0,0]=4 15360 B16R2.85359 O=C(O)COCCNC1CC2CCC1C2 269956a_100000700818_100000727232 [0,0,0,2,0,0|2,0,0]=4 15361 B16R2.252 O=C1CCCC(C1)OCC2CCCCC2 34a_100012613340_100000211423 [0,0,0,2,0,0|2,0,0]=4 15362 B16R2.252 O=C1CCCC(N1)COC2CCCCC2 34a_200000102386_100000210327 [0,0,0,2,0,0|2,0,0]=4 15363 B16R2.255 O=C1CCCC(C1)OCCC2CCCC2 34a_100012613340_100000760354 [0,0,0,2,0,0|2,0,0]=4 15364 B16R2.255 O=C1CCCC(N1)COCC2CCCC2 34a_200000102386_100000740388 [0,0,0,2,0,0|2,0,0]=4 15365 B16R2.11928 O=C1CCCC(C1)OC2CCCCCC2 34a_100012613340_100011217769 [0,0,0,2,0,0|2,0,0]=4 15366 B16R2.492 CC(=O)CCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100011215641 [0,0,0,2,0,0|2,0,0]=4 15367 B16R2.492 CC(=O)CCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000685027 [0,0,0,2,0,0|2,0,0]=4 15368 B16R2.492 NC(=O)CCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100102525003 [0,0,0,2,0,0|2,0,0]=4 15369 B16R2.492 NC(=O)CCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100102525003 [0,0,0,2,0,0|2,0,0]=4 15370 B16R2.3265 CC1CCCCC1N2CCC[C@H]2C(=O)N 270004a_100000003125_100000210921 [0,0,0,2,0,0|2,0,0]=4 15371 B16R2.3265 O=C(O)[C@@H]1CCCN1C2CCCCC2F 269956a_100000743916_100015423560 [0,0,0,2,0,0|2,0,0]=4 15372 B16R2.3265 O=C(O)[C@@H]1CCCN1C2CCCCC2O 269956a_100000743916_100000038908 [0,0,0,2,0,0|2,0,0]=4 15373 B16R2.24851 CN1CCCCC1CN2CCC2C(=O)O 269956a_100000021838_100015185383 [0,0,0,2,0,0|2,0,0]=4 15374 B16R2.144452 NC(=O)CCCCNC1CCCC2C1C2 269862a_100000696515_100000697651 [0,0,0,2,0,0|2,0,0]=4 15375 B16R2.87 CC(=O)N1CCCCC1C2CCCCC2 11a_100011219272_100015343762 [0,0,0,2,0,0|2,0,0]=4 15376 B16R2.87 CC(=O)N1CCCCC1C2CCCCC2 1626a_100011219272_100015343762 [0,0,0,2,0,0|2,0,0]=4 15377 B16R2.87 CC(=O)N1CCCCC1C2CCCCC2 240690a_100011219272_100015343762 [0,0,0,2,0,0|2,0,0]=4 15378 B16R2.87 CC(=O)N1CCCCC1C2CCCCC2 527a_100011219272_100103153847 [0,0,0,2,0,0|2,0,0]=4 15379 B16R2.87 NC(=O)C1CCCCN1C2CCCCC2 269982a_100000181395_100000210327 [0,0,0,2,0,0|2,0,0]=4 15380 B16R2.87 NC(=O)C1CCCCN1C2CCCCC2 270004a_100000181395_100000210434 [0,0,0,2,0,0|2,0,0]=4 15381 B16R2.87 NC(=O)C1CCCCN1C2CCCCC2 34a_100000181395_100000210327 [0,0,0,2,0,0|2,0,0]=4 15382 B16R2.87 O=C(O)C1CCSCN1C2CCCCC2 269956a_100015185162_100000210327 [0,0,0,2,0,0|2,0,0]=4 15383 B16R2.87 O=C(O)C1CSCCN1C2CCCCC2 269956a_100011346106_100000210327 [0,0,0,2,0,0|2,0,0]=4 15384 B16R2.87 O=C(O)[C@H]1CCCCN1C2CCCCC2 269956a_100000763471_100000210327 [0,0,0,2,0,0|1,0,0]=3 15385 B16R2.87 O=C(O)[C@H]1CCCCN1C2CCCOC2 269956a_100000763471_100000693364 [0,0,0,2,0,0|2,0,0]=4 15386 B16R2.87 O=C(O)[C@H]1CCCCN1C2CCOCC2 269956a_100000763471_100011324220 [0,0,0,2,0,0|2,0,0]=4 15387 B16R2.87 O=C(O)[C@H]1CCCCN1C2CCSCC2 269956a_100000763471_100000069128 [0,0,0,2,0,0|2,0,0]=4 15388 B16R2.87 O=C(O)[C@H]1COCCN1C2CCCCC2 269956a_100016993156_100000210327 [0,0,0,2,0,0|2,0,0]=4 15389 B16R2.498 NC(=O)C1CCCCN1CC2CCCC2 2230a_100000181395_100000740388 [0,0,0,2,0,0|2,0,0]=4 15390 B16R2.498 NC(=O)C1CCCCN1CC2CCCC2 269982a_100000181395_100000740388 [0,0,0,2,0,0|2,0,0]=4 15391 B16R2.498 NC(=O)C1CCCCN1CC2CCCC2 34a_100000181395_100000740388 [0,0,0,2,0,0|2,0,0]=4 15392 B16R2.498 O=C(O)C1CCSCN1CC2CCCC2 269956a_100015185162_100000740388 [0,0,0,2,0,0|2,0,0]=4 15393 B16R2.498 O=C(O)C1CSCCN1CC2CCCC2 269956a_100011346106_100000740388 [0,0,0,2,0,0|2,0,0]=4 15394 B16R2.498 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCC2 269956a_100009816435_100000179811 [0,0,0,2,0,0|1,0,0]=3 15395 B16R2.498 O=C(O)[C@@H]1CCCC[C@H]1NC2CCOC2 269956a_100009816435_100000731011 [0,0,0,2,0,0|2,0,0]=4 15396 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCCC2 269956a_100000763471_100000740388 [0,0,0,2,0,0|1,0,0]=3 15397 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCCO2 269956a_100000763471_100000183445 [0,0,0,2,0,0|2,0,0]=4 15398 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCOC2 269956a_100000763471_100011261433 [0,0,0,2,0,0|2,0,0]=4 15399 B16R2.498 O=C(O)[C@H]1COCCN1CC2CCCC2 269956a_100016993156_100000740388 [0,0,0,2,0,0|2,0,0]=4 15400 B16R2.3033 O=C(O)[C@H]1CCCCN1[C@@H]2CCC[C@H]2O 269956a_100000763471_200016002552 [0,0,0,2,0,0|2,0,0]=4 15401 B16R2.27522 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CC2 269956a_100009816435_100000694398 [0,0,0,2,0,0|1,0,0]=3 15402 B16R2.27522 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CO2 269956a_100009816435_100000732470 [0,0,0,2,0,0|2,0,0]=4 15403 B16R2.27522 O=C(O)[C@H]1CCCCN1CCCC2CO2 269956a_100000763471_100000733510 [0,0,0,2,0,0|2,0,0]=4 15404 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCC2 269956a_100009816435_100000763275 [0,0,0,2,0,0|1,0,0]=3 15405 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCO2 269956a_100009816435_100000103362 [0,0,0,2,0,0|2,0,0]=4 15406 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2COC2 269956a_100009816435_100010264016 [0,0,0,2,0,0|2,0,0]=4 15407 B16R2.161 NC(=O)CN1CCCC1C2CCCCC2 2230a_100011206067_100000747473 [0,0,0,2,0,0|2,0,0]=4 15408 B16R2.161 NC(=O)CN1CCCC1C2CCCCC2 269982a_100011206067_100000187820 [0,0,0,2,0,0|2,0,0]=4 15409 B16R2.161 NC(=O)CN1CCCC1C2CCCCC2 34a_100011206067_100000187820 [0,0,0,2,0,0|2,0,0]=4 15410 B16R2.161 O=C([O-])CN1CCCC1C2CCCCC2 269982a_100011206067_100020667443 [0,0,0,2,0,0|1,0,1]=4 15411 B16R2.161 O=C([O-])CN1CCCC1C2CCCCC2 34a_100011206067_100020667443 [0,0,0,2,0,0|1,0,1]=4 15412 B16R2.1338 CC(=O)CCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000735457 [0,0,0,2,0,0|2,0,0]=4 15413 B16R2.1338 CC(=O)CCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100009817362 [0,0,0,2,0,0|2,0,0]=4 15414 B16R2.12825 CN1CCCC1CCN2CCC2C(=O)O 269956a_100000021838_100000005710 [0,0,0,2,0,0|2,0,0]=4 15415 B16R2.145051 NC(=O)CCCCCOC1CCC2C1C2 34a_200012295571_100009817443 [0,0,0,2,0,0|2,0,0]=4 15416 B16R2.200 O=C1CC(C1)CNCCCC2CCCC2 2230a_100000736752_100009874392 [0,0,0,2,0,0|2,0,0]=4 15417 B16R2.200 O=C1CC(C1)COCCCC2CCCC2 34a_100000101936_100011713738 [0,0,0,2,0,0|2,0,0]=4 15418 B16R2.200 O=C1CC(C1)COCCCC2CCCC2 7a_100011215328_100009874392 [0,0,0,2,0,0|2,0,0]=4 15419 B16R2.200 O=C1CC(C1)CSCCCC2CCCC2 62a_100009874392_100011713738 [0,0,0,2,0,0|2,0,0]=4 15420 B16R2.200 O=C1CC(C1)CSCCCC2CCCC2 62a_100011713738_100009874392 [0,0,0,2,0,0|2,0,0]=4 15421 B16R2.470 CC(=O)CCN1CCCC1C2CCCC2 269982a_100000743374_100000053229 [0,0,0,2,0,0|2,0,0]=4 15422 B16R2.470 NC(=O)CCN1CCCC1C2CCCC2 2230a_100000743374_100000744528 [0,0,0,2,0,0|2,0,0]=4 15423 B16R2.470 NC(=O)CCN1CCCC1C2CCCC2 269982a_100000743374_100000744528 [0,0,0,2,0,0|2,0,0]=4 15424 B16R2.470 NC(=O)CCN1CCCC1C2CCCC2 34a_100000743374_100000731001 [0,0,0,2,0,0|2,0,0]=4 15425 B16R2.496 O=C(O)C1CCCCCN1C2CCCC2 269956a_100000758484_100000179811 [0,0,0,2,0,0|1,0,0]=3 15426 B16R2.496 O=C(O)C1CCCCCN1C2CCOC2 269956a_100000758484_100000731011 [0,0,0,2,0,0|2,0,0]=4 15427 B16R2.509 NC(=O)[C@@H]1CCCN1CCC2CCCC2 2230a_100000003125_100000760354 [0,0,0,2,0,0|2,0,0]=4 15428 B16R2.509 O=C(O)C1SCCN1CCC2CCCC2 269956a_100000035718_100000760354 [0,0,0,2,0,0|2,0,0]=4 15429 B16R2.509 O=C(O)[C@@H]1CCCN1CCC2CCCC2 269956a_100000743916_100000760354 [0,0,0,2,0,0|1,0,0]=3 15430 B16R2.509 O=C(O)[C@@H]1CCCN1CCN2CCCC2 269956a_100000743916_100000004467 [0,0,0,2,0,0|2,0,0]=4 15431 B16R2.509 O=C(O)[C@@H]1CSCN1CCC2CCCC2 269956a_100000743924_100000760354 [0,0,0,2,0,0|2,0,0]=4 15432 B16R2.518 NC(=O)CC1CCCCN1C2CCCC2 2230a_100015184752_100000179811 [0,0,0,2,0,0|2,0,0]=4 15433 B16R2.518 NC(=O)CC1CCCCN1C2CCCC2 269982a_100015184752_100000179811 [0,0,0,2,0,0|2,0,0]=4 15434 B16R2.518 NC(=O)CC1CCCCN1C2CCCC2 270004a_100015184752_100000210133 [0,0,0,2,0,0|2,0,0]=4 15435 B16R2.518 NC(=O)CC1CCCCN1C2CCCC2 34a_100015184752_100000179811 [0,0,0,2,0,0|2,0,0]=4 15436 B16R2.27491 O=C(O)C1CCN1CCCC2CCCC2 269956a_100000021838_100011713738 [0,0,0,2,0,0|1,0,0]=3 15437 B16R2.27491 O=C(O)C1CCN1CCCN2CCCC2 269956a_100000021838_100011445909 [0,0,0,2,0,0|2,0,0]=4 15438 B16R2.464 NC(=O)[C@@H]1CCCN1CC2CCCCC2 2230a_100000003125_100000211423 [0,0,0,2,0,0|2,0,0]=4 15439 B16R2.464 O=C(O)C1SCCN1CC2CCCCC2 269956a_100000035718_100000211423 [0,0,0,2,0,0|2,0,0]=4 15440 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCCC2 269956a_100000743916_100000211423 [0,0,0,2,0,0|1,0,0]=3 15441 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCCO2 269956a_100000743916_100000211543 [0,0,0,2,0,0|2,0,0]=4 15442 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCOC2 269956a_100000743916_100000741521 [0,0,0,2,0,0|2,0,0]=4 15443 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCOCC2 269956a_100000743916_100000754603 [0,0,0,2,0,0|2,0,0]=4 15444 B16R2.464 O=C(O)[C@@H]1CSCN1CC2CCCCC2 269956a_100000743924_100000211423 [0,0,0,2,0,0|2,0,0]=4 15445 B16R2.465 O=C(O)C1CCN1CCC2CCCCC2 269956a_100000021838_100011273959 [0,0,0,2,0,0|1,0,0]=3 15446 B16R2.465 O=C(O)C1CCN1CCC2CCOCC2 269956a_100000021838_100011934994 [0,0,0,2,0,0|2,0,0]=4 15447 B16R2.465 O=C(O)C1CCN1CCN2CCCCC2 269956a_100000021838_100000739454 [0,0,0,2,0,0|2,0,0]=4 15448 B16R2.465 O=C(O)C1CCN1COC2CCCCC2 269956a_100000021838_100011935260 [0,0,0,2,0,0|2,0,0]=4 15449 B16R2.475 NC(=O)CCNCC1CC12CCCCC2 2230a_100015185624_100000744528 [0,0,0,2,0,0|2,0,0]=4 15450 B16R2.475 NC(=O)CCNCC1CC12CCCCC2 34a_100015185624_100000731001 [0,0,0,2,0,0|2,0,0]=4 15451 B16R2.3338 O=C1CC(C1)CNCCC2CCCCC2 2230a_100000738074_100009874392 [0,0,0,2,0,0|2,0,0]=4 15452 B16R2.3338 O=C1CC(C1)COCCC2CCCCC2 34a_100000101936_100011209188 [0,0,0,2,0,0|2,0,0]=4 15453 B16R2.3338 O=C1CC(C1)COCCC2CCCCC2 7a_100011217863_100009874392 [0,0,0,2,0,0|2,0,0]=4 15454 B16R2.3338 O=C1CC(C1)CSCCC2CCCCC2 62a_100009874392_100012355289 [0,0,0,2,0,0|2,0,0]=4 15455 B16R2.3338 O=C1CC(C1)CSCCC2CCCCC2 62a_100012355289_100009874392 [0,0,0,2,0,0|2,0,0]=4 15456 B16R2.3338 O=C1CC(C1)SCCCC2CCCCC2 62a_100009894365_100011713725 [0,0,0,2,0,0|2,0,0]=4 15457 B16R2.179941 CC(=O)CCN1CCCC2C1CCCC2 269982a_100000211887_100000053229 [0,0,0,2,0,0|2,0,0]=4 15458 B16R2.179941 NC(=O)CCN1CCCC2C1CCCC2 2230a_100000211887_100000744528 [0,0,0,2,0,0|2,0,0]=4 15459 B16R2.179941 NC(=O)CCN1CCCC2C1CCCC2 269982a_100000211887_100000744528 [0,0,0,2,0,0|2,0,0]=4 15460 B16R2.179941 NC(=O)CCN1CCCC2C1CCCC2 34a_100000211887_100000731001 [0,0,0,2,0,0|2,0,0]=4 15461 B16R2.179941 NC(=O)COC1CCCC2C1CCCC2 34a_100000042559_100000187820 [0,0,0,2,0,0|2,0,0]=4 15462 B16R2.179941 NC(=O)COC1CCCC2C1CCCC2 7a_100000042559_100000187820 [0,0,0,2,0,0|2,0,0]=4 15463 B16R2.179941 O=C([O-])COC1CCCC2C1CCCC2 34a_100000042559_100020667443 [0,0,0,2,0,0|1,0,1]=4 15464 B16R2.6148 CCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000210202 [0,0,0,2,0,0|1,0,0]=3 15465 B16R2.6148 O=C(O)C1CCC2CCCCC2N1CF 269956a_100000765686_100015361967 [0,0,0,2,0,0|2,0,0]=4 15466 B16R2.6613 CCCC1CCCCN1CC2CC(=O)C2 2230a_100000701414_100009874392 [0,0,0,2,0,0|2,0,0]=4 15467 B16R2.6613 CCCC1CCCCN1CC2CC(=O)C2 269982a_100000701414_100009874392 [0,0,0,2,0,0|2,0,0]=4 15468 B16R2.85337 CC(=O)CCCCN1CCCC1C2CC2 269982a_200000757794_100000735457 [0,0,0,2,0,0|2,0,0]=4 15469 B16R2.85337 CC(=O)CCCCN1CCCC1C2CC2 34a_200000757794_100009817362 [0,0,0,2,0,0|2,0,0]=4 15470 B16R2.328157 NC(=O)CCNCC12CCCC1CCC2 2230a_100159271432_100000744528 [0,0,0,2,0,0|2,0,0]=4 15471 B16R2.328157 NC(=O)CCNCC12CCCC1CCC2 34a_100159271432_100000731001 [0,0,0,2,0,0|2,0,0]=4 15472 B16R2.333 CC1CCC2CCCCC2N1CC(=O)N 2230a_100132302184_100000747473 [0,0,0,2,0,0|2,0,0]=4 15473 B16R2.333 CC1CCC2CCCCC2N1CC(=O)N 269982a_100132302184_100000187820 [0,0,0,2,0,0|2,0,0]=4 15474 B16R2.333 CC1CCC2CCCCC2N1CC(=O)N 34a_100132302184_100000187820 [0,0,0,2,0,0|2,0,0]=4 15475 B16R2.333 CC1CCC2CCCCC2N1CC(=O)[O-] 269982a_100132302184_100020667443 [0,0,0,2,0,0|1,0,1]=4 15476 B16R2.333 CC1CCC2CCCCC2N1CC(=O)[O-] 34a_100132302184_100020667443 [0,0,0,2,0,0|1,0,1]=4 15477 B16R2.3529 CCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210207 [0,0,0,2,0,0|1,0,0]=3 15478 B16R2.3529 COCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000766300 [0,0,0,2,0,0|2,0,0]=4 15479 B16R2.3529 CSCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100011218213 [0,0,0,2,0,0|2,0,0]=4 15480 B16R2.3529 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCF 269956a_100000703543_100011217306 [0,0,0,2,0,0|2,0,0]=4 15481 B16R2.3529 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCO 269956a_100000703543_100000211926 [0,0,0,2,0,0|2,0,0]=4 15482 B16R2.27269 O=C(O)CCC1CCCCN1CC2CC2 269956a_100000694054_100000742324 [0,0,0,2,0,0|1,0,0]=3 15483 B16R2.27269 O=C(O)CCC1CCCCN1CC2CO2 269956a_100000694054_102125554688 [0,0,0,2,0,0|2,0,0]=4 15484 B16R2.27269 O=C(O)CCC1CCCCN1CC2CS2 269956a_100000694054_100000031435 [0,0,0,2,0,0|2,0,0]=4 15485 B16R2.27269 O=C(O)CCC1CCCCN1C[C@@H]2CO2 269956a_100000694054_100000745022 [0,0,0,2,0,0|2,0,0]=4 15486 B16R2.143763 O=C(O)CCC1CCCCN1C2CCC2 269956a_100000694054_100000749161 [0,0,0,2,0,0|1,0,0]=3 15487 B16R2.143763 O=C(O)CCC1CCCCN1C2COC2 269956a_100000694054_100009818527 [0,0,0,2,0,0|2,0,0]=4 15488 B16R2.25428 O=C1CC(C1)CNC2CCCCCCC2 2230a_100000211152_100009874392 [0,0,0,2,0,0|2,0,0]=4 15489 B16R2.25428 O=C1CC(C1)COC2CCCCCCC2 7a_100000210054_100009874392 [0,0,0,2,0,0|2,0,0]=4 15490 B16R2.25538 O=C1CC(C1)CNCC2CCCCCC2 2230a_100015204231_100009874392 [0,0,0,2,0,0|2,0,0]=4 15491 B16R2.25538 O=C1CC(C1)COCC2CCCCCC2 34a_100000101936_200000696569 [0,0,0,2,0,0|2,0,0]=4 15492 B16R2.25538 O=C1CC(C1)COCC2CCCCCC2 7a_100000699130_100009874392 [0,0,0,2,0,0|2,0,0]=4 15493 B16R2.25538 O=C1CC(C1)CSCC2CCCCCC2 62a_100009874392_200000696569 [0,0,0,2,0,0|2,0,0]=4 15494 B16R2.25538 O=C1CC(C1)CSCC2CCCCCC2 62a_200000696569_100009874392 [0,0,0,2,0,0|2,0,0]=4 15495 B16R2.25556 O=C1CC(C1)CN2CCCCCCCC2 2230a_100000039187_100009874392 [0,0,0,2,0,0|2,0,0]=4 15496 B16R2.25556 O=C1CC(C1)CN2CCCCCCCC2 269982a_100000039187_100009874392 [0,0,0,2,0,0|2,0,0]=4 15497 B16R2.35046 NC(=O)CC1CCCCN1CCC2CC2 2230a_100015184752_100000694398 [0,0,0,2,0,0|2,0,0]=4 15498 B16R2.35046 NC(=O)CC1CCCCN1CCC2CC2 269982a_100015184752_100000694398 [0,0,0,2,0,0|2,0,0]=4 15499 B16R2.35046 NC(=O)CC1CCCCN1CCC2CC2 34a_100015184752_100000694398 [0,0,0,2,0,0|2,0,0]=4 15500 B16R2.35047 NC(=O)CC1CCCCN1CC2CCC2 2230a_100015184752_100000763275 [0,0,0,2,0,0|2,0,0]=4 15501 B16R2.35047 NC(=O)CC1CCCCN1CC2CCC2 269982a_100015184752_100000763275 [0,0,0,2,0,0|2,0,0]=4 15502 B16R2.35047 NC(=O)CC1CCCCN1CC2CCC2 34a_100015184752_100000763275 [0,0,0,2,0,0|2,0,0]=4 15503 B16R2.874 CCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210211 [0,0,0,2,0,0|1,0,0]=3 15504 B16R2.874 CCOCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000739092 [0,0,0,2,0,0|2,0,0]=4 15505 B16R2.874 COCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000233755 [0,0,0,2,0,0|2,0,0]=4 15506 B16R2.874 CSCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000212216 [0,0,0,2,0,0|2,0,0]=4 15507 B16R2.874 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCF 269956a_100015758391_100011934791 [0,0,0,2,0,0|2,0,0]=4 15508 B16R2.874 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCO 269956a_100015758391_100011215043 [0,0,0,2,0,0|2,0,0]=4 15509 B16R2.27657 NC(=O)[C@@H]1CCCN1C2CCCCCC2 270004a_100000003125_100000210131 [0,0,0,2,0,0|2,0,0]=4 15510 B16R2.27657 O=C(O)C1SCCN1C2CCCCCC2 269956a_100000035718_100011217769 [0,0,0,2,0,0|2,0,0]=4 15511 B16R2.27657 O=C(O)[C@@H]1CCCN1C2CCCCCC2 269956a_100000743916_100011217769 [0,0,0,2,0,0|1,0,0]=3 15512 B16R2.27657 O=C(O)[C@@H]1CSCN1C2CCCCCC2 269956a_100000743924_100011217769 [0,0,0,2,0,0|2,0,0]=4 15513 B16R2.143009 O=C(O)C1CCCCCN1CCC2CC2 269956a_100000758484_100000694398 [0,0,0,2,0,0|1,0,0]=3 15514 B16R2.143009 O=C(O)C1CCCCCN1CCC2CO2 269956a_100000758484_100000732470 [0,0,0,2,0,0|2,0,0]=4 15515 B16R2.144912 O=C(O)C1CCCCCN1CC2CCC2 269956a_100000758484_100000763275 [0,0,0,2,0,0|1,0,0]=3 15516 B16R2.144912 O=C(O)C1CCCCCN1CC2CCO2 269956a_100000758484_100000103362 [0,0,0,2,0,0|2,0,0]=4 15517 B16R2.144912 O=C(O)C1CCCCCN1CC2COC2 269956a_100000758484_100010264016 [0,0,0,2,0,0|2,0,0]=4 15518 B16R2.142887 O=C(O)[C@H]1CCCCCC[C@H]1NC2CC2 269956a_200049070474_100000211595 [0,0,0,2,0,0|1,0,0]=3 15519 B16R2.142995 O=C(O)C1CCN1CC2CCCCCC2 269956a_100000021838_200000696569 [0,0,0,2,0,0|1,0,0]=3