0 B12R0.268 C=C(Br)CCOCCCCC(=O)C 34a_100009813270_100009817362 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.268 C=C(C)CCNCCOCC(=O)O 269956a_100000700818_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,0,0,0,0,0|4,0,0]=4 7 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [0,0,0,0,0,0|4,0,0]=4 11 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [0,0,0,0,0,0|4,0,0]=4 13 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [0,0,0,0,0,0|4,0,0]=4 14 B12R0.268 C=C(F)COCCCCCC(=O)N 34a_100000123541_100009893438 [0,0,0,0,0,0|4,0,0]=4 15 B12R0.268 C=C(F)COCCCCCC(=O)N 34a_200010262243_100009817443 [0,0,0,0,0,0|4,0,0]=4 16 B12R0.268 C=C(F)COCCCCCC(=O)N 7a_100000123541_100000042424 [0,0,0,0,0,0|4,0,0]=4 17 B12R0.268 C=C(F)COCCCCCC(=O)[O-] 7a_100102619762_100000042424 [0,0,0,0,0,0|3,0,1]=4 18 B12R0.268 C=C(F)CSCCCCCC(=O)N 62a_100000042424_100009817443 [0,0,0,0,0,0|4,0,0]=4 19 B12R0.268 C=C(F)CSCCCCCC(=O)N 62a_100009817443_100000042424 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,0,0,0,0,0|3,0,0]=3 21 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,0,0,0,0,0|3,0,0]=3 22 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,0,0,0,0,0|3,0,0]=3 23 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,0,0,0,0,0|3,0,0]=3 24 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,0,0,0,0,0|3,0,0]=3 25 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,0,0,0,0,0|3,0,0]=3 26 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,0,0,0,0,0|3,0,0]=3 27 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,0,0,0,0,0|3,0,0]=3 28 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,0,0,0,0,0|3,0,0]=3 29 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,0,0,0,0,0|3,0,1]=4 30 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,0,0,0,0,0|3,0,1]=4 31 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000076356_100000735457 [0,0,0,0,0,0|4,0,0]=4 32 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000735457_100000076356 [0,0,0,0,0,0|4,0,0]=4 33 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,0,0,0,0,0|3,0,0]=3 34 B12R0.268 CC(=O)CCCNCCNC(=O)N 34a_100020590234_100000685027 [0,0,0,0,0,0|4,0,0]=4 35 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,0,0,0,0,0|3,0,0]=3 36 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,0,0,0,0,0|3,0,0]=3 37 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,0,0,0,0,0|3,0,0]=3 38 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,0,0,0,0,0|3,0,0]=3 39 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,0,0,0,0,0|3,0,1]=4 40 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,0,0,0,0,0|3,0,1]=4 41 B12R0.268 CC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100000685027 [0,0,0,0,0,0|3,0,1]=4 42 B12R0.268 CC(=O)CCCOCCNC(=O)C 34a_100000158858_100000685027 [0,0,0,0,0,0|4,0,0]=4 43 B12R0.268 CC(=O)CCCOCCNC(=O)C 7a_100000759063_100000189650 [0,0,0,0,0,0|4,0,0]=4 44 B12R0.268 CC(=O)CCCOCCNC(=O)N 34a_100000181757_100000685027 [0,0,0,0,0,0|4,0,0]=4 45 B12R0.268 CC(=O)CCCOCCNC(=O)N 7a_100000759063_200000034859 [0,0,0,0,0,0|4,0,0]=4 46 B12R0.268 CC(=O)CCCOCCOC(=O)C 34a_100000759063_100009814007 [0,0,0,0,0,0|4,0,0]=4 47 B12R0.268 CC(=O)CCCOCCOC(=O)C 7a_100000759063_100009814007 [0,0,0,0,0,0|4,0,0]=4 48 B12R0.268 CC(=O)CCCOCCOC(=O)N 34a_100000759063_200011214921 [0,0,0,0,0,0|4,0,0]=4 49 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000759063_200011214921 [0,0,0,0,0,0|4,0,0]=4 50 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000766696_100011215641 [0,0,0,0,0,0|4,0,0]=4 51 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,0,0,0,0,0|3,0,0]=3 52 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,0,0,0,0,0|3,0,0]=3 53 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,0,0,0,0,0|3,0,0]=3 54 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,0,0,0,0,0|3,0,1]=4 56 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [0,0,0,0,0,0|4,0,0]=4 57 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [0,0,0,0,0,0|4,0,0]=4 58 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_100011215641_200000034859 [0,0,0,0,0,0|4,0,0]=4 59 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_200000034859_100011215641 [0,0,0,0,0,0|4,0,0]=4 60 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [0,0,0,0,0,0|4,0,0]=4 61 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [0,0,0,0,0,0|4,0,0]=4 62 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_100011215641_200011214921 [0,0,0,0,0,0|4,0,0]=4 63 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_200011214921_100011215641 [0,0,0,0,0,0|4,0,0]=4 64 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,0,0,0,0,0|3,0,0]=3 65 B12R0.268 CC(=O)CCOCCCCB(O)O 34a_100000759926_200009817182 [0,0,0,0,0,0|3,0,1]=4 66 B12R0.268 CC(=O)CCOCCCCB(O)O 7a_100000759926_200009817182 [0,0,0,0,0,0|3,0,1]=4 67 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,0,0,0,0,0|3,0,0]=3 68 B12R0.268 CC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000053229 [0,0,0,0,0,0|3,0,1]=4 69 B12R0.268 CC(=O)CCOCCCOC(=O)C 34a_100000759926_100000042594 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.268 CC(=O)CCOCCCOC(=O)C 7a_100000759926_100000042594 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.268 CC(=O)CCOCCCSC(=O)C 34a_100000759926_100000038929 [0,0,0,0,0,0|4,0,0]=4 72 B12R0.268 CC(=O)CCOCCCSC(=O)C 7a_100000759926_100000038929 [0,0,0,0,0,0|4,0,0]=4 73 B12R0.268 CC(=O)CCOCCOCC(=O)N 34a_100000759926_100000076697 [0,0,0,0,0,0|4,0,0]=4 74 B12R0.268 CC(=O)CCOCCOCC(=O)N 7a_100000759926_100000076697 [0,0,0,0,0,0|4,0,0]=4 75 B12R0.268 CC(=O)CCSCCCCB(O)O 62a_100000053229_200009817182 [0,0,0,0,0,0|3,0,1]=4 76 B12R0.268 CC(=O)CCSCCCCB(O)O 62a_200009817182_100000053229 [0,0,0,0,0,0|3,0,1]=4 77 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [0,0,0,0,0,0|4,0,0]=4 78 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [0,0,0,0,0,0|4,0,0]=4 79 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000038929_100000053229 [0,0,0,0,0,0|4,0,0]=4 80 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000053229_100000038929 [0,0,0,0,0,0|4,0,0]=4 81 B12R0.268 CC(=O)CCSCCOCC(=O)N 62a_100000053229_100000076697 [0,0,0,0,0,0|4,0,0]=4 82 B12R0.268 CC(=O)CCSCCOCC(=O)N 62a_100000076697_100000053229 [0,0,0,0,0,0|4,0,0]=4 83 B12R0.268 CC(=O)COCCCCCB(O)O 34a_100000211253_200009817188 [0,0,0,0,0,0|3,0,1]=4 84 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,0,0,0,0,0|3,0,0]=3 85 B12R0.268 CC(=O)COCCCCOC(=O)C 34a_100000211253_100000033659 [0,0,0,0,0,0|4,0,0]=4 86 B12R0.268 CC(=O)COCCCCSC(=O)C 34a_100000211253_200010402107 [0,0,0,0,0,0|4,0,0]=4 87 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [0,0,0,0,0,0|4,0,0]=4 88 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [0,0,0,0,0,0|4,0,0]=4 89 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [0,0,0,0,0,0|4,0,0]=4 90 B12R0.268 CC(=O)NCCCCNCC(=O)N 2230a_200011368371_100000747473 [0,0,0,0,0,0|4,0,0]=4 91 B12R0.268 CC(=O)NCCCCNCC(=O)N 34a_200011368371_100000187820 [0,0,0,0,0,0|4,0,0]=4 92 B12R0.268 CC(=O)NCCCCNCC(=O)[O-] 34a_200011368371_100020667443 [0,0,0,0,0,0|3,0,1]=4 93 B12R0.268 CC(=O)NCCCNCCC(=O)N 34a_100000736810_100000731001 [0,0,0,0,0,0|4,0,0]=4 94 B12R0.268 CC(=O)NCCCOCCC(=O)N 34a_100000752032_100000731001 [0,0,0,0,0,0|4,0,0]=4 95 B12R0.268 CC(=O)NCCOCCCC(=O)N 34a_100000158858_100102525003 [0,0,0,0,0,0|4,0,0]=4 96 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100000189650_100102525003 [0,0,0,0,0,0|4,0,0]=4 97 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100102525003_100000189650 [0,0,0,0,0,0|4,0,0]=4 98 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,0,0,0,0,0|3,0,0]=3 99 B12R0.268 CC(=O)OCCCCOCC(=O)N 34a_100000073216_100000187820 [0,0,0,0,0,0|4,0,0]=4 100 B12R0.268 CC(=O)OCCCCOCC(=O)N 7a_100000073216_100000187820 [0,0,0,0,0,0|4,0,0]=4 101 B12R0.268 CC(=O)OCCCCOCC(=O)[O-] 34a_100000073216_100020667443 [0,0,0,0,0,0|3,0,1]=4 102 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000033659_100000747473 [0,0,0,0,0,0|4,0,0]=4 103 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000747473_100000033659 [0,0,0,0,0,0|4,0,0]=4 104 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100000033659_100020667443 [0,0,0,0,0,0|3,0,1]=4 105 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100020667443_100000033659 [0,0,0,0,0,0|3,0,1]=4 106 B12R0.268 CC(=O)OCCCNOCC(=O)O 269956a_100000106656_100000042594 [0,0,0,0,0,0|4,0,0]=4 107 B12R0.268 CC(=O)OCCCOCCC(=O)N 34a_100000757172_100000042594 [0,0,0,0,0,0|4,0,0]=4 108 B12R0.268 CC(=O)OCCCOCCC(=O)N 7a_100000757172_100000042594 [0,0,0,0,0,0|4,0,0]=4 109 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000042594_100000744528 [0,0,0,0,0,0|4,0,0]=4 110 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000744528_100000042594 [0,0,0,0,0,0|4,0,0]=4 111 B12R0.268 CC(=O)OCCNCCCC(=O)N 34a_100000739312_100009814007 [0,0,0,0,0,0|4,0,0]=4 112 B12R0.268 CC(=O)OCCOCNCC(=O)O 269956a_100016091260_100000076355 [0,0,0,0,0,0|4,0,0]=4 113 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100009814007_100102525003 [0,0,0,0,0,0|4,0,0]=4 114 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100102525003_100009814007 [0,0,0,0,0,0|4,0,0]=4 115 B12R0.268 CC(=O)OCNCCCCC(=O)N 34a_100000696515_100009813279 [0,0,0,0,0,0|4,0,0]=4 116 B12R0.268 CC(=O)OCNCCOCC(=O)O 269956a_100000700818_100000076356 [0,0,0,0,0,0|4,0,0]=4 117 B12R0.268 CC(=O)OCOCCCCC(=O)N 34a_100012022536_100009813279 [0,0,0,0,0,0|4,0,0]=4 118 B12R0.268 CC(=O)SCCCCNCC(=O)N 2230a_100000711301_200010402107 [0,0,0,0,0,0|4,0,0]=4 119 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,0,0,0,0,0|3,0,0]=3 120 B12R0.268 CC(=O)SCCCCSCC(=O)N 62a_100000747473_200010402107 [0,0,0,0,0,0|4,0,0]=4 121 B12R0.268 CC(=O)SCCCCSCC(=O)N 62a_200010402107_100000747473 [0,0,0,0,0,0|4,0,0]=4 122 B12R0.268 CC(=O)SCCCCSCC(=O)[O-] 62a_100020667443_200010402107 [0,0,0,0,0,0|3,0,1]=4 123 B12R0.268 CC(=O)SCCCCSCC(=O)[O-] 62a_200010402107_100020667443 [0,0,0,0,0,0|3,0,1]=4 124 B12R0.268 CC(=O)SCCCNOCC(=O)O 269956a_100000106656_100000038929 [0,0,0,0,0,0|4,0,0]=4 125 B12R0.268 CC(=O)SCCCOCCC(=O)N 34a_100000757172_100000038929 [0,0,0,0,0,0|4,0,0]=4 126 B12R0.268 CC(=O)SCCCOCCC(=O)N 7a_100000757172_100000038929 [0,0,0,0,0,0|4,0,0]=4 127 B12R0.268 CC(=O)SCCCSCCC(=O)N 62a_100000038929_100000744528 [0,0,0,0,0,0|4,0,0]=4 128 B12R0.268 CC(=O)SCCCSCCC(=O)N 62a_100000744528_100000038929 [0,0,0,0,0,0|4,0,0]=4 129 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,0,0,0,0,0|3,0,1]=4 130 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,0,0,0,0,0|3,0,1]=4 131 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,0,0,0,0,0|3,0,1]=4 132 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,0,0,0,0,0|3,0,1]=4 133 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,0,0,0,0,0|3,0,1]=4 134 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,0,0,0,0,0|3,0,1]=4 135 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,0,0,0,0,0|3,0,1]=4 136 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,0,0,0,0,0|3,0,1]=4 138 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,0,0,0,0,0|3,0,1]=4 139 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,0,0,0,0,0|3,0,1]=4 140 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,0,0,0,0,0|3,0,1]=4 141 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,0,0,0,0,0|2,0,2]=4 142 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,0,0,0,0,0|3,0,1]=4 143 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,0,0,0,0,0|3,0,1]=4 144 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,0,0,0,0,0|3,0,1]=4 145 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,0,0,0,0,0|3,0,1]=4 146 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,0,0,0,0,0|2,0,2]=4 147 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,0,0,0,0,0|3,0,1]=4 148 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,0,0,0,0,0|3,0,1]=4 149 B12R0.268 NC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009817443 [0,0,0,0,0,0|3,0,0]=3 150 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,0,0,0,0,0|2,0,0]=2 151 B12R0.268 NC(=O)CCCCCOCC(=O)N 34a_100000123541_100000187820 [0,0,0,0,0,0|3,0,0]=3 152 B12R0.268 NC(=O)CCCCCOCC(=O)N 7a_100000123541_100000187820 [0,0,0,0,0,0|3,0,0]=3 153 B12R0.268 NC(=O)CCCCCOCC(=O)[O-] 34a_100000123541_100020667443 [0,0,0,0,0,0|2,0,1]=3 154 B12R0.268 NC(=O)CCCCCOC[N+](=O)[O-] 34a_100000123541_100000761209 [0,0,0,0,0,0|3,0,1]=4 155 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100000747473_100009817443 [0,0,0,0,0,0|3,0,0]=3 156 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100009817443_100000747473 [0,0,0,0,0,0|3,0,0]=3 157 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100009817443_100020667443 [0,0,0,0,0,0|2,0,1]=3 158 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009817443 [0,0,0,0,0,0|2,0,1]=3 159 B12R0.268 NC(=O)CCCCCSC[N+](=O)[O-] 62a_100009817443_100000761209 [0,0,0,0,0,0|3,0,1]=4 160 B12R0.268 NC(=O)CCCCNCCC(=O)N 34a_100000696515_100000731001 [0,0,0,0,0,0|3,0,0]=3 161 B12R0.268 NC(=O)CCCCOCCC(=O)N 34a_100012022536_100000731001 [0,0,0,0,0,0|3,0,0]=3 162 B12R0.268 NC(=O)CCCCOCCC(=O)N 7a_100012022536_100000744528 [0,0,0,0,0,0|3,0,0]=3 163 B12R0.268 NC(=O)CCCNCCCC(=O)N 34a_100000739312_100102525003 [0,0,0,0,0,0|3,0,0]=3 164 B12R0.268 NC(=O)CCCNCCNC(=O)N 34a_100020590234_100102525003 [0,0,0,0,0,0|4,0,0]=4 165 B12R0.268 NC(=O)CCCNCCOC(=O)N 34a_100000739312_200011214921 [0,0,0,0,0,0|4,0,0]=4 166 B12R0.268 NC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100102525003 [0,0,0,0,0,0|3,0,1]=4 167 B12R0.268 NC(=O)CCCOCCNC(=O)N 34a_100000181757_100102525003 [0,0,0,0,0,0|4,0,0]=4 168 B12R0.268 NC(=O)CCCOCCOC(=O)N 7a_100000766696_100102525003 [0,0,0,0,0,0|4,0,0]=4 169 B12R0.268 NC(=O)CCCSCCCC(=O)N 62a_100102525003_100102525003 [0,0,0,0,0,0|3,0,0]=3 170 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_100102525003_200000034859 [0,0,0,0,0,0|4,0,0]=4 171 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_200000034859_100102525003 [0,0,0,0,0,0|4,0,0]=4 172 B12R0.268 NC(=O)CCCSCCOC(=O)N 62a_100102525003_200011214921 [0,0,0,0,0,0|4,0,0]=4 173 B12R0.268 NC(=O)CCCSCCOC(=O)N 62a_200011214921_100102525003 [0,0,0,0,0,0|4,0,0]=4 174 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,0,0,0,0,0|3,0,0]=3 175 B12R0.268 NC(=O)CCOCCCCB(O)O 34a_100000757172_200009817182 [0,0,0,0,0,0|3,0,1]=4 176 B12R0.268 NC(=O)CCOCCCCB(O)O 7a_100000757172_200009817182 [0,0,0,0,0,0|3,0,1]=4 177 B12R0.268 NC(=O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000731001 [0,0,0,0,0,0|3,0,1]=4 178 B12R0.268 NC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000744528 [0,0,0,0,0,0|3,0,1]=4 179 B12R0.268 NC(=O)CCOCCOCC(=O)N 34a_100000757172_100000076697 [0,0,0,0,0,0|4,0,0]=4 180 B12R0.268 NC(=O)CCOCCOCC(=O)N 7a_100000757172_100000076697 [0,0,0,0,0,0|4,0,0]=4 181 B12R0.268 NC(=O)CCSCCCCB(O)O 62a_100000744528_200009817182 [0,0,0,0,0,0|3,0,1]=4 182 B12R0.268 NC(=O)CCSCCCCB(O)O 62a_200009817182_100000744528 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.268 NC(=O)CCSCCOCC(=O)N 62a_100000076697_100000744528 [0,0,0,0,0,0|4,0,0]=4 184 B12R0.268 NC(=O)CCSCCOCC(=O)N 62a_100000744528_100000076697 [0,0,0,0,0,0|4,0,0]=4 185 B12R0.268 NC(=O)CNCCCCCB(O)O 2230a_100000711301_200009817188 [0,0,0,0,0,0|3,0,1]=4 186 B12R0.268 NC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000187820 [0,0,0,0,0,0|2,0,1]=3 187 B12R0.268 NC(=O)COCCNOCC(=O)O 269956a_100000106656_100000076697 [0,0,0,0,0,0|4,0,0]=4 188 B12R0.268 NC(=O)CSCCCCCB(O)O 62a_100000747473_200009817188 [0,0,0,0,0,0|3,0,1]=4 189 B12R0.268 NC(=O)CSCCCCCB(O)O 62a_200009817188_100000747473 [0,0,0,0,0,0|3,0,1]=4 190 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [0,0,0,0,0,0|2,0,1]=3 191 B12R0.268 O=C(O)CNCCCCO[N+](=O)[O-] 269956a_100016091260_100015694321 [0,0,0,0,0,0|3,0,1]=4 192 B12R0.268 O=C(O)CONCCCCB(O)O 269956a_100000106656_200009817182 [0,0,0,0,0,0|3,0,1]=4 193 B12R0.268 O=C([O-])CSCCCCCB(O)O 62a_100020667443_200009817188 [0,0,0,0,0,0|2,0,2]=4 194 B12R0.268 O=C([O-])CSCCCCCB(O)O 62a_200009817188_100020667443 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,0,0,0,0,0|2,0,1]=4 196 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [1,0,0,0,0,0|2,0,1]=4 199 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [1,0,0,0,0,0|3,0,0]=4 200 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [1,0,0,0,0,0|3,0,0]=4 201 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [1,0,0,0,0,0|3,0,0]=4 202 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [1,0,0,0,0,0|3,0,0]=4 203 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000042424_100000139337 [1,0,0,0,0,0|3,0,0]=4 204 B11R0.148 C=C(F)CSCCCCCC=O 62a_100000139337_100000042424 [1,0,0,0,0,0|3,0,0]=4 205 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,0,0,0,0,0|2,0,0]=3 206 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,0,0,0,0,0|2,0,0]=3 208 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [1,0,0,0,0,0|3,0,0]=4 209 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,0,0,0,0,0|2,0,0]=3 210 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [1,0,0,0,0,0|3,0,0]=4 211 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [1,0,0,0,0,0|3,0,0]=4 212 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [1,0,0,0,0,0|3,0,0]=4 213 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [1,0,0,0,0,0|2,0,1]=4 214 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [1,0,0,0,0,0|3,0,0]=4 215 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [1,0,0,0,0,0|3,0,0]=4 216 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [1,0,0,0,0,0|2,0,1]=4 217 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [1,0,0,0,0,0|2,0,1]=4 218 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [1,0,0,0,0,0|3,0,0]=4 219 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [1,0,0,0,0,0|3,0,0]=4 220 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [1,0,0,0,0,0|3,0,0]=4 221 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [1,0,0,0,0,0|3,0,0]=4 222 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [1,0,0,0,0,0|3,0,0]=4 223 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [1,0,0,0,0,0|3,0,0]=4 224 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [1,0,0,0,0,0|3,0,0]=4 225 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [1,0,0,0,0,0|3,0,0]=4 226 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [1,0,0,0,0,0|3,0,0]=4 227 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [1,0,0,0,0,0|3,0,0]=4 228 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [1,0,0,0,0,0|3,0,0]=4 229 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [1,0,0,0,0,0|3,0,0]=4 230 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [1,0,0,0,0,0|3,0,0]=4 231 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [1,0,0,0,0,0|3,0,0]=4 232 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [1,0,0,0,0,0|3,0,0]=4 233 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [1,0,0,0,0,0|3,0,0]=4 234 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [1,0,0,0,0,0|3,0,0]=4 235 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [1,0,0,0,0,0|3,0,0]=4 236 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [1,0,0,0,0,0|3,0,0]=4 237 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [1,0,0,0,0,0|3,0,0]=4 238 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [1,0,0,0,0,0|3,0,0]=4 239 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [1,0,0,0,0,0|3,0,0]=4 240 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [1,0,0,0,0,0|3,0,0]=4 241 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [1,0,0,0,0,0|3,0,0]=4 242 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [1,0,0,0,0,0|3,0,0]=4 243 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [1,0,0,0,0,0|3,0,0]=4 244 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [1,0,0,0,0,0|3,0,0]=4 245 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [1,0,0,0,0,0|3,0,0]=4 246 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [1,0,0,0,0,0|3,0,0]=4 247 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [1,0,0,0,0,0|3,0,0]=4 248 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [1,0,0,0,0,0|3,0,0]=4 249 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [1,0,0,0,0,0|3,0,0]=4 250 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [1,0,0,0,0,0|3,0,0]=4 251 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [1,0,0,0,0,0|3,0,0]=4 252 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [1,0,0,0,0,0|3,0,0]=4 253 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [1,0,0,0,0,0|3,0,0]=4 254 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [1,0,0,0,0,0|3,0,0]=4 255 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [1,0,0,0,0,0|3,0,0]=4 256 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [1,0,0,0,0,0|2,0,1]=4 257 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [1,0,0,0,0,0|3,0,0]=4 258 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [1,0,0,0,0,0|3,0,0]=4 259 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,0,0,0,0,0|1,0,1]=3 260 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,0,0,0,0,0|2,0,1]=4 261 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,0,0,0,0,0|2,0,1]=4 262 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,0,0,0,0,0|2,0,1]=4 263 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [1,0,0,0,0,0|2,0,0]=3 264 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,0,0,0,0,0|2,0,1]=4 265 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,0,0,0,0,0|2,0,1]=4 266 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [1,0,0,0,0,0|2,0,0]=3 267 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [1,0,0,0,0,0|2,0,0]=3 268 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,0,0,0,0,0|2,0,1]=4 269 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,0,0,0,0,0|2,0,1]=4 270 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [1,0,0,0,0,0|2,0,0]=3 271 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,0,0,0,0,0|2,0,1]=4 272 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,0,0,0,0,0|2,0,1]=4 273 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [1,0,0,0,0,0|2,0,0]=3 274 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [1,0,0,0,0,0|2,0,0]=3 275 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,0,0,0,0,0|2,0,1]=4 276 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,0,0,0,0,0|2,0,1]=4 277 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,0,0,0,0,0|2,0,1]=4 278 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,0,0,0,0,0|2,0,1]=4 279 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [1,0,0,0,0,0|3,0,0]=4 280 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [1,0,0,0,0,0|3,0,0]=4 281 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [1,0,0,0,0,0|3,0,0]=4 282 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [1,0,0,0,0,0|3,0,0]=4 283 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [1,0,0,0,0,0|3,0,0]=4 284 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [1,0,0,0,0,0|3,0,0]=4 285 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [1,0,0,0,0,0|3,0,0]=4 286 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [1,0,0,0,0,0|3,0,0]=4 287 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [1,0,0,0,0,0|3,0,0]=4 288 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [1,0,0,0,0,0|3,0,0]=4 289 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [1,0,0,0,0,0|3,0,0]=4 290 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [1,0,0,0,0,0|3,0,0]=4 291 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [1,0,0,0,0,0|3,0,0]=4 292 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [1,0,0,0,0,0|3,0,0]=4 293 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [1,0,0,0,0,0|3,0,0]=4 294 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [1,0,0,0,0,0|2,0,1]=4 295 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [1,0,0,0,0,0|2,0,1]=4 296 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [1,0,0,0,0,0|2,0,1]=4 297 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [1,0,0,0,0,0|2,0,1]=4 298 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [1,0,0,0,0,0|2,0,1]=4 299 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [1,0,0,0,0,0|2,0,1]=4 300 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [1,0,0,0,0,0|2,0,1]=4 301 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [1,0,0,0,0,0|2,0,1]=4 302 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,0,0,0,0,0|2,0,1]=4 303 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,0,0,0,0,0|2,0,1]=4 304 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,0,0,0,0,0|2,0,1]=4 305 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,0,0,0,0,0|2,0,1]=4 306 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [1,0,0,0,0,0|3,0,0]=4 307 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [1,0,0,0,0,0|2,0,1]=4 308 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [1,0,0,0,0,0|2,0,1]=4 309 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [1,0,0,0,0,0|2,0,1]=4 310 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,0,0,0,0,0|2,0,1]=4 311 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,0,0,0,0,0|2,0,1]=4 312 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [1,0,0,0,0,0|2,0,0]=3 313 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [1,0,0,0,0,0|2,0,0]=3 314 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,0,0,0,0,0|2,0,1]=4 315 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,0,0,0,0,0|2,0,1]=4 316 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [1,0,0,0,0,0|2,0,0]=3 317 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [1,0,0,0,0,0|2,0,0]=3 318 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,0,0,0,0,0|2,0,1]=4 319 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,0,0,0,0,0|2,0,1]=4 320 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,0,0,0,0,0|2,0,1]=4 321 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,0,0,0,0,0|2,0,1]=4 322 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,0,0,0,0,0|2,0,1]=4 323 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,0,0,0,0,0|2,0,1]=4 324 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,0,0,0,0,0|2,0,1]=4 325 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [1,0,0,0,0,0|2,0,0]=3 326 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [1,0,0,0,0,0|2,0,0]=3 327 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,0,0,0,0,0|2,0,1]=4 328 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,0,0,0,0,0|2,0,1]=4 329 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,0,0,0,0,0|2,0,1]=4 330 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,0,0,0,0,0|2,0,1]=4 331 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [1,0,0,0,0,0|2,0,0]=3 332 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,0,0,0,0,0|2,0,1]=4 333 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,0,0,0,0,0|2,0,1]=4 334 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [1,0,0,0,0,0|2,0,0]=3 335 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [1,0,0,0,0,0|2,0,0]=3 336 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,0,0,0,0,0|2,0,1]=4 337 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,0,0,0,0,0|2,0,1]=4 338 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [1,0,0,0,0,0|2,0,0]=3 339 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,0,0,0,0,0|2,0,1]=4 340 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,0,0,0,0,0|2,0,1]=4 341 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,0,0,0,0,0|2,0,1]=4 342 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [1,0,0,0,0,0|2,0,0]=3 343 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [1,0,0,0,0,0|2,0,0]=3 344 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,0,0,0,0,0|2,0,1]=4 345 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,0,0,0,0,0|2,0,1]=4 346 B11R0.148 NC(=O)NCCSCCCC=O 62a_200000034859_200011292268 [1,0,0,0,0,0|3,0,0]=4 347 B11R0.148 NC(=O)NCCSCCCC=O 62a_200011292268_200000034859 [1,0,0,0,0,0|3,0,0]=4 348 B11R0.148 NC(=O)OCCOCCCC=O 7a_100000766696_200011292268 [1,0,0,0,0,0|3,0,0]=4 349 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011214921_200011292268 [1,0,0,0,0,0|3,0,0]=4 350 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011292268_200011214921 [1,0,0,0,0,0|3,0,0]=4 351 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,0,0,0,0,0|2,0,1]=4 352 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,0,0,0,0,0|1,0,1]=3 353 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [1,0,0,0,0,0|2,0,1]=4 354 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [1,0,0,0,0,0|2,0,1]=4 355 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,0,0,0,0,0|1,0,2]=4 356 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,0,0,0,0,0|1,0,2]=4 357 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,0,0,0,0,0|1,0,2]=4 358 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,0,0,0,0,0|1,0,2]=4 359 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,0,0,0,0,0|1,0,0]=2 360 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [1,0,0,0,0,0|1,0,1]=3 361 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [1,0,0,0,0,0|1,0,1]=3 362 B11R0.148 O=CCCCCCSC[N+](=O)[O-] 62a_100000139337_100000761209 [1,0,0,0,0,0|2,0,1]=4 363 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [1,0,0,0,0,0|2,0,0]=3 364 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [1,0,0,0,0,0|1,0,1]=3 365 B11R0.148 O=CCSCCCCCB(O)O 62a_200009817188_200015260668 [1,0,0,0,0,0|2,0,1]=4 366 B11R0.148 O=CCSCCCCCB(O)O 62a_200015260668_200009817188 [1,0,0,0,0,0|2,0,1]=4 367 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011215641 [0,1,0,0,0,0|2,0,0]=3 368 B13R0.178 CC(=O)NCCNCC(O)CC(=O)O 269956a_100011218706_100000189650 [0,1,0,0,0,0|3,0,0]=4 369 B13R0.178 CC(=O)OCCCCN(C)CC(=O)O 269956a_100000746989_100000033659 [0,1,0,0,0,0|3,0,0]=4 370 B13R0.178 CC(=O)OCCNCC(O)CC(=O)O 269956a_100011218706_100009814007 [0,1,0,0,0,0|3,0,0]=4 371 B13R0.178 CC(=O)SCCCCN(C)CC(=O)O 269956a_100000746989_200010402107 [0,1,0,0,0,0|3,0,0]=4 372 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 269956a_100011218706_200000718107 [0,1,0,0,0,0|2,0,1]=4 373 B13R0.178 CN(CCCCCB(O)O)CC(=O)O 269956a_100000746989_200009817188 [0,1,0,0,0,0|2,0,1]=4 374 B13R0.178 CN(CCCCCC(=O)N)CC(=O)N 2230a_100000739694_100009817443 [0,1,0,0,0,0|3,0,0]=4 375 B13R0.178 CN(CCCCCC(=O)N)CC(=O)O 269956a_100000746989_100009817443 [0,1,0,0,0,0|2,0,0]=3 376 B13R0.178 NC(=O)CCCCCC(=O)CC(=O)N 1458a_100134613110_100009817443 [0,1,0,0,0,0|2,0,1]=4 377 B13R0.178 NC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100102525003 [0,1,0,0,0,0|2,0,0]=3 378 B13R0.178 NC(=O)NCCNCC(O)CC(=O)O 269956a_100011218706_200000034859 [0,1,0,0,0,0|3,0,0]=4 379 B13R0.180 CC(=O)C(C)OCCCCCC(=O)N 34a_100000212229_100009817443 [0,1,0,0,0,0|3,0,0]=4 380 B13R0.180 CC(=O)C(C)OCCCCCC(=O)N 7a_100000123541_100000179758 [0,1,0,0,0,0|3,0,0]=4 381 B13R0.180 CC(=O)C(C)OCCCCCC(=O)[O-] 7a_100102619762_100000179758 [0,1,0,0,0,0|2,0,1]=4 382 B13R0.180 CC(=O)C(C)SCCCCCC(=O)N 62a_100009814033_100009817443 [0,1,0,0,0,0|3,0,0]=4 383 B13R0.180 CC(=O)C(C)SCCCCCC(=O)N 62a_100009817443_100009814033 [0,1,0,0,0,0|3,0,0]=4 384 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000735457 [0,1,0,0,0,0|2,0,0]=3 385 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000735457 [0,1,0,0,0,0|2,0,0]=3 386 B13R0.180 CC(=O)CCCCOCC(C)C(=O)C 34a_100000032740_100009817362 [0,1,0,0,0,0|3,0,0]=4 387 B13R0.180 CC(=O)CCCCOCC(C)C(=O)C 7a_100000032740_100000735457 [0,1,0,0,0,0|3,0,0]=4 388 B13R0.180 CC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100009817362 [0,1,0,0,0,0|3,0,0]=4 389 B13R0.180 CC(=O)OCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000033659 [0,1,0,0,0,0|3,0,0]=4 390 B13R0.180 CC(=O)OCCCNCC(C)C(=O)O 269956a_100000749485_100000042594 [0,1,0,0,0,0|3,0,0]=4 391 B13R0.180 CC(=O)OCCCNCC(F)C(=O)O 269956a_100000084737_100000042594 [0,1,0,0,0,0|3,0,0]=4 392 B13R0.180 CC(=O)SCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200010402107 [0,1,0,0,0,0|3,0,0]=4 393 B13R0.180 CC(=O)SCCCNCC(C)C(=O)O 269956a_100000749485_100000038929 [0,1,0,0,0,0|3,0,0]=4 394 B13R0.180 CC(=O)SCCCNCC(F)C(=O)O 269956a_100000084737_100000038929 [0,1,0,0,0,0|3,0,0]=4 395 B13R0.180 CC(CNCCCCB(O)O)C(=O)O 269956a_100000749485_200009817182 [0,1,0,0,0,0|2,0,1]=4 396 B13R0.180 CC(CNCCOCC(=O)N)C(=O)O 269956a_100000749485_100000076697 [0,1,0,0,0,0|3,0,0]=4 397 B13R0.180 CC(OCCCCCC(=O)N)C(=O)N 34a_100000123541_100000702099 [0,1,0,0,0,0|3,0,0]=4 398 B13R0.180 CC(OCCCCCC(=O)N)C(=O)N 7a_100000123541_100000702099 [0,1,0,0,0,0|3,0,0]=4 399 B13R0.180 CC(OCCCCCC(=O)[O-])C(=O)N 7a_100102619762_100000702099 [0,1,0,0,0,0|2,0,1]=4 400 B13R0.180 CC(SCCCCCC(=O)N)C(=O)N 62a_100000702099_100009817443 [0,1,0,0,0,0|3,0,0]=4 401 B13R0.180 CC(SCCCCCC(=O)N)C(=O)N 62a_100009817443_100000702099 [0,1,0,0,0,0|3,0,0]=4 402 B13R0.180 C[C@@H](NCCCCCC(=O)N)C(=O)N 2230a_100000119354_100009817443 [0,1,0,0,0,0|3,0,0]=4 403 B13R0.180 C[C@@H](NCCCCCC(=O)N)C(=O)N 34a_100000119354_100009817443 [0,1,0,0,0,0|3,0,0]=4 404 B13R0.180 C[C@@H](OCCCCCC(=O)N)C(=O)N 34a_100000731257_100009817443 [0,1,0,0,0,0|3,0,0]=4 405 B13R0.180 C[C@@H](OCCCCCC(=O)N)C(=O)N 7a_100000731257_100009817443 [0,1,0,0,0,0|3,0,0]=4 406 B13R0.180 C[C@H](NCCCCCB(O)O)C(=O)O 269956a_100000743915_200009817188 [0,1,0,0,0,0|2,0,1]=4 407 B13R0.180 C[C@H](NCCCCCC(=O)N)C(=O)O 269956a_100000743915_100009817443 [0,1,0,0,0,0|2,0,0]=3 408 B13R0.180 C[C@H](OCCCCCC(=O)N)C(=O)[O-] 7a_217856618621_100009817443 [0,1,0,0,0,0|2,0,1]=4 409 B13R0.180 NC(=O)C(F)OCCCCCC(=O)[O-] 7a_100102619762_100009813875 [0,1,0,0,0,0|2,0,1]=4 410 B13R0.180 NC(=O)CCCCCOC(F)C(=O)N 34a_100000123541_100009813875 [0,1,0,0,0,0|3,0,0]=4 411 B13R0.180 NC(=O)CCCCCOC(F)C(=O)N 7a_100000123541_100009813875 [0,1,0,0,0,0|3,0,0]=4 412 B13R0.180 NC(=O)CCCCCOC(F)C(=O)[O-] 34a_100000123541_100020610796 [0,1,0,0,0,0|2,0,1]=4 413 B13R0.180 NC(=O)CCCCCSC(F)C(=O)N 62a_100009813875_100009817443 [0,1,0,0,0,0|3,0,0]=4 414 B13R0.180 NC(=O)CCCCCSC(F)C(=O)N 62a_100009817443_100009813875 [0,1,0,0,0,0|3,0,0]=4 415 B13R0.180 NC(=O)CCCCCSC(F)C(=O)[O-] 62a_100009817443_100020610796 [0,1,0,0,0,0|2,0,1]=4 416 B13R0.180 NC(=O)CCCCCSC(F)C(=O)[O-] 62a_100020610796_100009817443 [0,1,0,0,0,0|2,0,1]=4 417 B13R0.180 NC(=O)COCCNCC(F)C(=O)O 269956a_100000084737_100000076697 [0,1,0,0,0,0|3,0,0]=4 418 B13R0.180 O=C(O)C(F)CNCCCCB(O)O 269956a_100000084737_200009817182 [0,1,0,0,0,0|2,0,1]=4 419 B13R0.182 CC(=O)CCCCC(=O)CCC(=O)N 1458a_100011215257_100000735457 [0,1,0,0,0,0|2,0,1]=4 420 B13R0.202 C#CC(O)CCCCCNCC(=O)O 269956a_100016091260_200010408556 [0,1,0,0,0,0|2,0,1]=4 421 B13R0.202 C=C(Br)CCOCCCCC(=O)OC 34a_100009813270_100000204269 [0,1,0,0,0,0|3,0,0]=4 422 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000059025_100000730704 [0,1,0,0,0,0|3,0,0]=4 423 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000764851_100000204269 [0,1,0,0,0,0|3,0,0]=4 424 B13R0.202 C=C(C)CCOCCCCC(=O)OC 7a_100000059025_100000730704 [0,1,0,0,0,0|3,0,0]=4 425 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000204269_100000730704 [0,1,0,0,0,0|3,0,0]=4 426 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000730704_100000204269 [0,1,0,0,0,0|3,0,0]=4 427 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000074720_100000748629 [0,1,0,0,0,0|3,0,0]=4 428 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000210245_100009816466 [0,1,0,0,0,0|3,0,0]=4 429 B13R0.202 C=C(C)COCCCCCC(=O)OC 7a_100000074720_100000748629 [0,1,0,0,0,0|3,0,0]=4 430 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100000748629_100009816466 [0,1,0,0,0,0|3,0,0]=4 431 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100009816466_100000211660 [0,1,0,0,0,0|3,0,0]=4 432 B13R0.202 C=C(F)COCCCCCC(=O)OC 34a_100000074720_100009893438 [0,1,0,0,0,0|3,0,0]=4 433 B13R0.202 C=C(F)COCCCCCC(=O)OC 34a_200010262243_100009816466 [0,1,0,0,0,0|3,0,0]=4 434 B13R0.202 C=C(F)COCCCCCC(=O)OC 7a_100000074720_100000042424 [0,1,0,0,0,0|3,0,0]=4 435 B13R0.202 C=C(F)CSCCCCCC(=O)OC 62a_100000042424_100009816466 [0,1,0,0,0,0|3,0,0]=4 436 B13R0.202 C=C(F)CSCCCCCC(=O)OC 62a_100009816466_100000042424 [0,1,0,0,0,0|3,0,0]=4 437 B13R0.202 C=CC(=O)OCCCCCCC(=O)C 1458a_100000070787_100009894100 [0,1,0,0,0,0|3,0,0]=4 438 B13R0.202 CC(=O)CCCCOCCC(=NO)N 34a_100000749954_100009817362 [0,1,0,0,0,0|3,0,0]=4 439 B13R0.202 CC(=O)CCCOCCCC(=O)NN 34a_100000211488_100000685027 [0,1,0,0,0,0|3,0,0]=4 440 B13R0.202 CC(=O)NCCCCCNC(=O)CO 240690a_200012022750_100000210174 [0,1,0,0,0,0|3,0,0]=4 441 B13R0.202 CC(=O)NCCCCCNC(=O)CO 527a_200012022750_100000210174 [0,1,0,0,0,0|3,0,0]=4 442 B13R0.202 CCC(=O)COCCCCCC(=O)N 34a_100000725409_100009817443 [0,1,0,0,0,0|3,0,0]=4 443 B13R0.202 CCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747405 [0,1,0,0,0,0|3,0,0]=4 444 B13R0.202 CCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747405 [0,1,0,0,0,0|2,0,1]=4 445 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100000747405_100009817443 [0,1,0,0,0,0|3,0,0]=4 446 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747405 [0,1,0,0,0,0|3,0,0]=4 447 B13R0.202 CNC(=O)CCCNCCCC(=O)C 34a_100000740002_100000685027 [0,1,0,0,0,0|3,0,0]=4 448 B13R0.202 CNC(=O)CCCNCCCC(=O)N 34a_100000739312_100000741757 [0,1,0,0,0,0|3,0,0]=4 449 B13R0.202 CNC(=O)CCCNCCCC(=O)N 34a_100000740002_100102525003 [0,1,0,0,0,0|3,0,0]=4 450 B13R0.202 CNC(=O)CCCOCCCC(=O)C 34a_100000759063_100000741757 [0,1,0,0,0,0|3,0,0]=4 451 B13R0.202 CNC(=O)CCCOCCCC(=O)C 7a_100000759063_100000741757 [0,1,0,0,0,0|3,0,0]=4 452 B13R0.202 CNC(=O)CCCSCCCC(=O)C 62a_100000741757_100011215641 [0,1,0,0,0,0|3,0,0]=4 453 B13R0.202 CNC(=O)CCCSCCCC(=O)C 62a_100011215641_100000741757 [0,1,0,0,0,0|3,0,0]=4 454 B13R0.202 CNC(=O)CCCSCCCC(=O)N 62a_100000741757_100102525003 [0,1,0,0,0,0|3,0,0]=4 455 B13R0.202 CNC(=O)CCCSCCCC(=O)N 62a_100102525003_100000741757 [0,1,0,0,0,0|3,0,0]=4 456 B13R0.202 CNC(=O)CCNCCCCC(=O)C 34a_100000738227_100009817362 [0,1,0,0,0,0|3,0,0]=4 457 B13R0.202 CNC(=O)CCNCCCCC(=O)N 34a_100000696515_100012179268 [0,1,0,0,0,0|3,0,0]=4 458 B13R0.202 CNC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000737683 [0,1,0,0,0,0|3,0,0]=4 459 B13R0.202 CNC(=O)CCOCCCCC(=O)C 34a_100000754576_100009817362 [0,1,0,0,0,0|3,0,0]=4 460 B13R0.202 CNC(=O)CCOCCCCC(=O)N 34a_100012022536_100012179268 [0,1,0,0,0,0|3,0,0]=4 461 B13R0.202 CNC(=O)CCOCCCCC(=O)N 7a_100012022536_100000737683 [0,1,0,0,0,0|3,0,0]=4 462 B13R0.202 CNC(=O)CCSCCCCC(=O)C 62a_100000735457_100000737683 [0,1,0,0,0,0|3,0,0]=4 463 B13R0.202 CNC(=O)CCSCCCCC(=O)C 62a_100000737683_100000735457 [0,1,0,0,0,0|3,0,0]=4 464 B13R0.202 CNC(=O)CNCCCCCC(=O)N 2230a_100000693194_100009817443 [0,1,0,0,0,0|3,0,0]=4 465 B13R0.202 CNC(=O)COCCCCCC(=O)N 34a_100000123541_100000183359 [0,1,0,0,0,0|3,0,0]=4 466 B13R0.202 CNC(=O)COCCCCCC(=O)N 34a_100000750040_100009817443 [0,1,0,0,0,0|3,0,0]=4 467 B13R0.202 CNC(=O)COCCCCCC(=O)N 7a_100000123541_100000183359 [0,1,0,0,0,0|3,0,0]=4 468 B13R0.202 CNC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000183359 [0,1,0,0,0,0|2,0,1]=4 469 B13R0.202 CNC(=O)CSCCCCCC(=O)N 62a_100000183359_100009817443 [0,1,0,0,0,0|3,0,0]=4 470 B13R0.202 CNC(=O)CSCCCCCC(=O)N 62a_100009817443_100000183359 [0,1,0,0,0,0|3,0,0]=4 471 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,1,0,0,0,0|1,0,0]=2 472 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,1,0,0,0,0|1,0,0]=2 473 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,1,0,0,0,0|1,0,0]=2 474 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,1,0,0,0,0|3,0,0]=4 475 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,1,0,0,0,0|3,0,0]=4 476 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [0,1,0,0,0,0|2,0,0]=3 477 B13R0.202 COC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009816466 [0,1,0,0,0,0|2,0,0]=3 478 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,1,0,0,0,0|1,0,0]=2 479 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [0,1,0,0,0,0|2,0,1]=4 480 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [0,1,0,0,0,0|2,0,1]=4 481 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [0,1,0,0,0,0|2,0,0]=3 482 B13R0.202 COC(=O)CCCCCOCC(=O)N 34a_100000074720_100000187820 [0,1,0,0,0,0|2,0,0]=3 483 B13R0.202 COC(=O)CCCCCOCC(=O)N 7a_100000074720_100000187820 [0,1,0,0,0,0|2,0,0]=3 484 B13R0.202 COC(=O)CCCCCOCC(=O)[O-] 34a_100000074720_100020667443 [0,1,0,0,0,0|1,0,1]=3 485 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [0,1,0,0,0,0|2,0,1]=4 486 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [0,1,0,0,0,0|2,0,1]=4 487 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [0,1,0,0,0,0|2,0,1]=4 488 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [0,1,0,0,0,0|2,0,1]=4 489 B13R0.202 COC(=O)CCCCCOC[N+](=O)[O-] 34a_100000074720_100000761209 [0,1,0,0,0,0|2,0,1]=4 490 B13R0.202 COC(=O)CCCCCSCC(=O)N 62a_100000747473_100009816466 [0,1,0,0,0,0|2,0,0]=3 491 B13R0.202 COC(=O)CCCCCSCC(=O)N 62a_100009816466_100000747473 [0,1,0,0,0,0|2,0,0]=3 492 B13R0.202 COC(=O)CCCCCSCC(=O)[O-] 62a_100009816466_100020667443 [0,1,0,0,0,0|1,0,1]=3 493 B13R0.202 COC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009816466 [0,1,0,0,0,0|1,0,1]=3 494 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [0,1,0,0,0,0|2,0,1]=4 495 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [0,1,0,0,0,0|2,0,1]=4 496 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [0,1,0,0,0,0|2,0,1]=4 497 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [0,1,0,0,0,0|2,0,1]=4 498 B13R0.202 COC(=O)CCCCCSC[N+](=O)[O-] 62a_100009816466_100000761209 [0,1,0,0,0,0|2,0,1]=4 499 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [0,1,0,0,0,0|2,0,1]=4 500 B13R0.202 COC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000204269 [0,1,0,0,0,0|2,0,0]=3 501 B13R0.202 COC(=O)CCCCOCCC(=O)C 34a_100000759926_100000204269 [0,1,0,0,0,0|2,0,0]=3 502 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000059025_100000053229 [0,1,0,0,0,0|2,0,0]=3 503 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000759926_100000204269 [0,1,0,0,0,0|2,0,0]=3 504 B13R0.202 COC(=O)CCCCOCCC(=O)N 34a_100000059025_100000731001 [0,1,0,0,0,0|2,0,0]=3 505 B13R0.202 COC(=O)CCCCOCCC(=O)N 34a_100000757172_100000204269 [0,1,0,0,0,0|2,0,0]=3 506 B13R0.202 COC(=O)CCCCOCCC(=O)N 7a_100000059025_100000744528 [0,1,0,0,0,0|2,0,0]=3 507 B13R0.202 COC(=O)CCCCOCCC(=O)N 7a_100000757172_100000204269 [0,1,0,0,0,0|2,0,0]=3 508 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [0,1,0,0,0,0|2,0,1]=4 509 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [0,1,0,0,0,0|2,0,1]=4 510 B13R0.202 COC(=O)CCCCOCOC(=O)C 34a_100000059025_100009813279 [0,1,0,0,0,0|3,0,0]=4 511 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000053229_100000204269 [0,1,0,0,0,0|2,0,0]=3 512 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000204269_100000053229 [0,1,0,0,0,0|2,0,0]=3 513 B13R0.202 COC(=O)CCCCSCCC(=O)N 62a_100000204269_100000744528 [0,1,0,0,0,0|2,0,0]=3 514 B13R0.202 COC(=O)CCCCSCCC(=O)N 62a_100000744528_100000204269 [0,1,0,0,0,0|2,0,0]=3 515 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [0,1,0,0,0,0|2,0,1]=4 516 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [0,1,0,0,0,0|2,0,1]=4 517 B13R0.202 COC(=O)CCCCSCOC(=O)C 62a_100000076356_100000204269 [0,1,0,0,0,0|3,0,0]=4 518 B13R0.202 COC(=O)CCCCSCOC(=O)C 62a_100000204269_100000076356 [0,1,0,0,0,0|3,0,0]=4 519 B13R0.202 COC(=O)CCCNCCCC(=O)N 34a_100000739312_100000742333 [0,1,0,0,0,0|2,0,0]=3 520 B13R0.202 COC(=O)CCCNCCCS(=O)C 2230a_200000753449_100011218270 [0,1,0,0,0,0|3,0,0]=4 521 B13R0.202 COC(=O)CCCNCCNC(=O)C 2230a_100000209853_100011218270 [0,1,0,0,0,0|3,0,0]=4 522 B13R0.202 COC(=O)CCCNCCNC(=O)N 34a_100020590234_100000742333 [0,1,0,0,0,0|3,0,0]=4 523 B13R0.202 COC(=O)CCCOCCCC(=O)C 34a_100000759063_100000742333 [0,1,0,0,0,0|2,0,0]=3 524 B13R0.202 COC(=O)CCCOCCCC(=O)C 7a_100000759063_100011218270 [0,1,0,0,0,0|2,0,0]=3 525 B13R0.202 COC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100000742333 [0,1,0,0,0,0|2,0,1]=4 526 B13R0.202 COC(=O)CCCOCCNC(=O)C 34a_100000158858_100000742333 [0,1,0,0,0,0|3,0,0]=4 527 B13R0.202 COC(=O)CCCOCCNC(=O)N 34a_100000181757_100000742333 [0,1,0,0,0,0|3,0,0]=4 528 B13R0.202 COC(=O)CCCOCCOC(=O)N 7a_100000766696_100011218270 [0,1,0,0,0,0|3,0,0]=4 529 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011215641_100011218270 [0,1,0,0,0,0|2,0,0]=3 530 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011218270_100011215641 [0,1,0,0,0,0|2,0,0]=3 531 B13R0.202 COC(=O)CCCSCCCC(=O)N 62a_100011218270_100102525003 [0,1,0,0,0,0|2,0,0]=3 532 B13R0.202 COC(=O)CCCSCCCC(=O)N 62a_100102525003_100011218270 [0,1,0,0,0,0|2,0,0]=3 533 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,1,0,0,0,0|2,0,1]=4 534 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,1,0,0,0,0|2,0,1]=4 535 B13R0.202 COC(=O)CCCSCCNC(=O)C 62a_100000189650_100011218270 [0,1,0,0,0,0|3,0,0]=4 536 B13R0.202 COC(=O)CCCSCCNC(=O)C 62a_100011218270_100000189650 [0,1,0,0,0,0|3,0,0]=4 537 B13R0.202 COC(=O)CCCSCCNC(=O)N 62a_100011218270_200000034859 [0,1,0,0,0,0|3,0,0]=4 538 B13R0.202 COC(=O)CCCSCCNC(=O)N 62a_200000034859_100011218270 [0,1,0,0,0,0|3,0,0]=4 539 B13R0.202 COC(=O)CCCSCCOC(=O)C 62a_100009814007_100011218270 [0,1,0,0,0,0|3,0,0]=4 540 B13R0.202 COC(=O)CCCSCCOC(=O)C 62a_100011218270_100009814007 [0,1,0,0,0,0|3,0,0]=4 541 B13R0.202 COC(=O)CCCSCCOC(=O)N 62a_100011218270_200011214921 [0,1,0,0,0,0|3,0,0]=4 542 B13R0.202 COC(=O)CCCSCCOC(=O)N 62a_200011214921_100011218270 [0,1,0,0,0,0|3,0,0]=4 543 B13R0.202 COC(=O)CCNCCCCC(=O)N 34a_100000696515_100000742370 [0,1,0,0,0,0|2,0,0]=3 544 B13R0.202 COC(=O)CCNCCCNC(=O)C 34a_100000736810_100000742370 [0,1,0,0,0,0|3,0,0]=4 545 B13R0.202 COC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000204255 [0,1,0,0,0,0|2,0,0]=3 546 B13R0.202 COC(=O)CCOCCCCC(=O)N 34a_100012022536_100000742370 [0,1,0,0,0,0|2,0,0]=3 547 B13R0.202 COC(=O)CCOCCCCC(=O)N 7a_100012022536_100000204255 [0,1,0,0,0,0|2,0,0]=3 548 B13R0.202 COC(=O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000742370 [0,1,0,0,0,0|2,0,1]=4 549 B13R0.202 COC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000204255 [0,1,0,0,0,0|2,0,1]=4 550 B13R0.202 COC(=O)CCOCCCNC(=O)C 34a_100000752032_100000742370 [0,1,0,0,0,0|3,0,0]=4 551 B13R0.202 COC(=O)CCSCCCCB(O)O 62a_100000204255_200009817182 [0,1,0,0,0,0|2,0,1]=4 552 B13R0.202 COC(=O)CCSCCCCB(O)O 62a_200009817182_100000204255 [0,1,0,0,0,0|2,0,1]=4 553 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000204255_100000735457 [0,1,0,0,0,0|2,0,0]=3 554 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000735457_100000204255 [0,1,0,0,0,0|2,0,0]=3 555 B13R0.202 COC(=O)CCSCCCOC(=O)C 62a_100000042594_100000204255 [0,1,0,0,0,0|3,0,0]=4 556 B13R0.202 COC(=O)CCSCCCOC(=O)C 62a_100000204255_100000042594 [0,1,0,0,0,0|3,0,0]=4 557 B13R0.202 COC(=O)CCSCCCSC(=O)C 62a_100000038929_100000204255 [0,1,0,0,0,0|3,0,0]=4 558 B13R0.202 COC(=O)CCSCCCSC(=O)C 62a_100000204255_100000038929 [0,1,0,0,0,0|3,0,0]=4 559 B13R0.202 COC(=O)CCSCCOCC(=O)N 62a_100000076697_100000204255 [0,1,0,0,0,0|3,0,0]=4 560 B13R0.202 COC(=O)CCSCCOCC(=O)N 62a_100000204255_100000076697 [0,1,0,0,0,0|3,0,0]=4 561 B13R0.202 COC(=O)CNCCCCNC(=O)C 2230a_200011368371_100000747449 [0,1,0,0,0,0|3,0,0]=4 562 B13R0.202 COC(=O)CNCCCCNC(=O)C 34a_200011368371_100000747449 [0,1,0,0,0,0|3,0,0]=4 563 B13R0.202 COC(=O)COCCCCCC(=O)N 34a_100000123541_100000747449 [0,1,0,0,0,0|2,0,0]=3 564 B13R0.202 COC(=O)COCCCCCC(=O)N 7a_100000123541_100000747449 [0,1,0,0,0,0|2,0,0]=3 565 B13R0.202 COC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747449 [0,1,0,0,0,0|1,0,1]=3 566 B13R0.202 COC(=O)COCCCCOC(=O)C 34a_100000073216_100000747449 [0,1,0,0,0,0|3,0,0]=4 567 B13R0.202 COC(=O)COCCCCOC(=O)C 7a_100000073216_100000747449 [0,1,0,0,0,0|3,0,0]=4 568 B13R0.202 COC(=O)COCCOCCC(=O)C 34a_100000759926_100000090808 [0,1,0,0,0,0|3,0,0]=4 569 B13R0.202 COC(=O)COCCOCCC(=O)C 7a_100000759926_100000090808 [0,1,0,0,0,0|3,0,0]=4 570 B13R0.202 COC(=O)COCCOCCC(=O)N 34a_100000757172_100000090808 [0,1,0,0,0,0|3,0,0]=4 571 B13R0.202 COC(=O)COCCOCCC(=O)N 7a_100000757172_100000090808 [0,1,0,0,0,0|3,0,0]=4 572 B13R0.202 COC(=O)COCCSCCC(=O)C 62a_100000053229_100000090808 [0,1,0,0,0,0|3,0,0]=4 573 B13R0.202 COC(=O)COCCSCCC(=O)C 62a_100000090808_100000053229 [0,1,0,0,0,0|3,0,0]=4 574 B13R0.202 COC(=O)COCCSCCC(=O)N 62a_100000090808_100000744528 [0,1,0,0,0,0|3,0,0]=4 575 B13R0.202 COC(=O)COCCSCCC(=O)N 62a_100000744528_100000090808 [0,1,0,0,0,0|3,0,0]=4 576 B13R0.202 COC(=O)CSCCCCCB(O)O 62a_100000747449_200009817188 [0,1,0,0,0,0|2,0,1]=4 577 B13R0.202 COC(=O)CSCCCCCB(O)O 62a_200009817188_100000747449 [0,1,0,0,0,0|2,0,1]=4 578 B13R0.202 COC(=O)CSCCCCCC(=O)N 62a_100000747449_100009817443 [0,1,0,0,0,0|2,0,0]=3 579 B13R0.202 COC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747449 [0,1,0,0,0,0|2,0,0]=3 580 B13R0.202 COC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747449 [0,1,0,0,0,0|3,0,0]=4 581 B13R0.202 COC(=O)CSCCCCOC(=O)C 62a_100000747449_100000033659 [0,1,0,0,0,0|3,0,0]=4 582 B13R0.202 COC(=O)CSCCCCSC(=O)C 62a_100000747449_200010402107 [0,1,0,0,0,0|3,0,0]=4 583 B13R0.202 COC(=O)CSCCCCSC(=O)C 62a_200010402107_100000747449 [0,1,0,0,0,0|3,0,0]=4 584 B13R0.202 COC(=O)NCCOCCCC(=O)C 34a_100000757965_100000685027 [0,1,0,0,0,0|3,0,0]=4 585 B13R0.202 COC(=O)NCCOCCCC(=O)N 34a_100000757965_100102525003 [0,1,0,0,0,0|3,0,0]=4 586 B13R0.202 COC(=O)OCCOCCCC(=O)C 34a_100010262106_100000685027 [0,1,0,0,0,0|3,0,0]=4 587 B13R0.202 COC(=O)OCCOCCCC(=O)N 34a_100010262106_100102525003 [0,1,0,0,0,0|3,0,0]=4 588 B13R0.202 COC(=O)OCSCCCCC(=O)C 62a_100000735457_100000139417 [0,1,0,0,0,0|3,0,0]=4 589 B13R0.202 NNC(=O)CCCOCCCC(=O)N 34a_100000211488_100102525003 [0,1,0,0,0,0|3,0,0]=4 590 B13R0.442 CC(C)(O)CCCCCNCC(=O)O 269956a_100016091260_100010402123 [0,1,0,0,0,0|2,0,1]=4 591 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011215641 [0,1,0,0,0,0|2,0,0]=3 592 B13R0.1398 CC(=O)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000053229 [0,1,0,0,0,0|2,0,1]=4 593 B13R0.1398 CC(=O)NCCN(C)CCCC(=O)O 269956a_100000719178_100000189650 [0,1,0,0,0,0|3,0,0]=4 594 B13R0.1398 CC(=O)OCCN(C)CCCC(=O)O 269956a_100000719178_100009814007 [0,1,0,0,0,0|3,0,0]=4 595 B13R0.1398 CC(CCCC(=O)[O-])OCCC(=O)N 7a_100000761597_100000744528 [0,1,0,0,0,0|2,0,1]=4 596 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 269956a_100000719178_200000718107 [0,1,0,0,0,0|2,0,1]=4 597 B13R0.1398 CN(CCCC(=O)N)CCCC(=O)O 269956a_100000719178_100102525003 [0,1,0,0,0,0|2,0,0]=3 598 B13R0.1398 CN(CCCC(=O)O)CCNC(=O)N 269956a_100000719178_200000034859 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.128 CC(=O)CCCOC1CCC(=O)C1 34a_100012614533_100000685027 [0,0,0,1,0,0|3,0,0]=4 600 B13R1.128 CC(=O)CCCOC1COC(=O)O1 34a_100000759063_100000032252 [0,0,0,1,0,0|3,0,0]=4 601 B13R1.128 CC(=O)CCCSC1COC(=O)O1 62a_100011215641_100000032252 [0,0,0,1,0,0|3,0,0]=4 602 B13R1.128 CC(=O)CCOCC1CNC(=O)O1 34a_100000759926_100000181169 [0,0,0,1,0,0|3,0,0]=4 603 B13R1.128 CC(=O)CCOCC1CNC(=O)O1 7a_100000759926_100000181169 [0,0,0,1,0,0|3,0,0]=4 604 B13R1.128 CC(=O)CCOCC1COC(=O)O1 34a_100000759926_100000073702 [0,0,0,1,0,0|3,0,0]=4 605 B13R1.128 CC(=O)CCOC[C@@H]1CCC(=O)N1 7a_100000759926_100015189358 [0,0,0,1,0,0|3,0,0]=4 606 B13R1.128 CC(=O)CCSCC1CNC(=O)O1 62a_100000053229_100000181169 [0,0,0,1,0,0|3,0,0]=4 607 B13R1.128 CC(=O)CCSCC1CNC(=O)O1 62a_100000181169_100000053229 [0,0,0,1,0,0|3,0,0]=4 608 B13R1.128 CC(=O)CCSCC1COC(=O)O1 62a_100000053229_100000073702 [0,0,0,1,0,0|3,0,0]=4 609 B13R1.128 CC(=O)CCSCC1COC(=O)O1 62a_100000073702_100000053229 [0,0,0,1,0,0|3,0,0]=4 610 B13R1.128 CC(=O)CCSC[C@@H]1CCC(=O)N1 62a_100000053229_100015189358 [0,0,0,1,0,0|3,0,0]=4 611 B13R1.128 CC(=O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000053229 [0,0,0,1,0,0|3,0,0]=4 612 B13R1.128 NC(=O)CCCNC1COC(=O)O1 34a_100000739312_100000032252 [0,0,0,1,0,0|3,0,0]=4 613 B13R1.128 NC(=O)CCCOC1CCC(=O)C1 34a_100012614533_100102525003 [0,0,0,1,0,0|3,0,0]=4 614 B13R1.128 NC(=O)CCCSC1COC(=O)O1 62a_100102525003_100000032252 [0,0,0,1,0,0|3,0,0]=4 615 B13R1.128 NC(=O)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000744528 [0,0,0,1,0,0|3,0,0]=4 616 B13R1.128 NC(=O)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000731001 [0,0,0,1,0,0|3,0,0]=4 617 B13R1.128 NC(=O)CCOCC1CCC(=O)N1 34a_100000737831_100000731001 [0,0,0,1,0,0|3,0,0]=4 618 B13R1.128 NC(=O)CCOCC1CNC(=O)O1 34a_100000757172_100000181169 [0,0,0,1,0,0|3,0,0]=4 619 B13R1.128 NC(=O)CCOCC1CNC(=O)O1 34a_100011315639_100000731001 [0,0,0,1,0,0|3,0,0]=4 620 B13R1.128 NC(=O)CCOCC1CNC(=O)O1 7a_100000757172_100000181169 [0,0,0,1,0,0|3,0,0]=4 621 B13R1.128 NC(=O)CCOCC1COC(=O)O1 34a_100000757172_100000073702 [0,0,0,1,0,0|3,0,0]=4 622 B13R1.128 NC(=O)CCOC[C@@H]1CCC(=O)N1 7a_100000757172_100015189358 [0,0,0,1,0,0|3,0,0]=4 623 B13R1.128 NC(=O)CCSCC1CNC(=O)O1 62a_100000181169_100000744528 [0,0,0,1,0,0|3,0,0]=4 624 B13R1.128 NC(=O)CCSCC1CNC(=O)O1 62a_100000744528_100000181169 [0,0,0,1,0,0|3,0,0]=4 625 B13R1.128 NC(=O)CCSCC1COC(=O)O1 62a_100000073702_100000744528 [0,0,0,1,0,0|3,0,0]=4 626 B13R1.128 NC(=O)CCSCC1COC(=O)O1 62a_100000744528_100000073702 [0,0,0,1,0,0|3,0,0]=4 627 B13R1.128 NC(=O)CCSC[C@@H]1CCC(=O)N1 62a_100000744528_100015189358 [0,0,0,1,0,0|3,0,0]=4 628 B13R1.128 NC(=O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000744528 [0,0,0,1,0,0|3,0,0]=4 629 B13R1.128 O=C(O)CNCCC1COS(=O)O1 269956a_100016091260_100009840081 [0,0,0,1,0,0|3,0,0]=4 630 B13R1.128 O=C(O)CONCC1CNC(=O)O1 269956a_100000106656_100000181169 [0,0,0,1,0,0|3,0,0]=4 631 B13R1.128 O=C(O)CONC[C@@H]1CCC(=O)N1 269956a_100000106656_100015189358 [0,0,0,1,0,0|3,0,0]=4 632 B13R1.149 NC(=O)CCOC1CCCC(=O)C1 34a_100012613340_100000731001 [0,0,0,1,0,0|3,0,0]=4 633 B13R1.149 NC(=O)COCC1CCCC(=O)N1 34a_200000102386_100000187820 [0,0,0,1,0,0|3,0,0]=4 634 B13R1.149 O=C([O-])COCC1CCCC(=O)N1 34a_200000102386_100020667443 [0,0,0,1,0,0|2,0,1]=4 635 B13R1.292 CC(=O)CCCCSC1CC(=O)C1 62a_100009894365_100000735457 [0,0,0,1,0,0|3,0,0]=4 636 B13R1.292 CC(=O)CCCOCC1CC(=O)C1 34a_100000101936_100000685027 [0,0,0,1,0,0|3,0,0]=4 637 B13R1.292 CC(=O)CCCOCC1CC(=O)C1 7a_100000759063_100009874392 [0,0,0,1,0,0|3,0,0]=4 638 B13R1.292 CC(=O)CCCSCC1CC(=O)C1 62a_100009874392_100011215641 [0,0,0,1,0,0|3,0,0]=4 639 B13R1.292 CC(=O)CCCSCC1CC(=O)C1 62a_100011215641_100009874392 [0,0,0,1,0,0|3,0,0]=4 640 B13R1.292 NC(=O)CCCOCC1CC(=O)C1 34a_100000101936_100102525003 [0,0,0,1,0,0|3,0,0]=4 641 B13R1.292 NC(=O)CCCSCC1CC(=O)C1 62a_100009874392_100102525003 [0,0,0,1,0,0|3,0,0]=4 642 B13R1.292 NC(=O)CCCSCC1CC(=O)C1 62a_100102525003_100009874392 [0,0,0,1,0,0|3,0,0]=4 643 B13R1.292 O=C(O)COCCNC1CC(=O)C1 269956a_100000700818_100009894365 [0,0,0,1,0,0|3,0,0]=4 644 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748629 [0,0,0,1,0,0|3,0,0]=4 645 B13R1.589 C=C(F)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000042424 [0,0,0,1,0,0|3,0,0]=4 646 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 11a_100015184752_100015343762 [0,0,0,1,0,0|3,0,0]=4 647 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 1626a_100015184752_100015343762 [0,0,0,1,0,0|3,0,0]=4 648 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 240690a_100015184752_100015343762 [0,0,0,1,0,0|3,0,0]=4 649 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 527a_100015184752_100103153847 [0,0,0,1,0,0|3,0,0]=4 650 B13R1.589 CC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218427 [0,0,0,1,0,0|2,0,1]=4 651 B13R1.589 C[C@@H](O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009817552 [0,0,0,1,0,0|2,0,1]=4 652 B13R1.589 NC(=O)C1CCCCN1CC(=O)[O-] 269982a_100000181395_100020667443 [0,0,0,1,0,0|2,0,1]=4 653 B13R1.589 NC(=O)C1CCCCN1CC(=O)[O-] 34a_100000181395_100020667443 [0,0,0,1,0,0|2,0,1]=4 654 B13R1.589 NC(=O)CN1CCCCC1C(=O)N 2230a_100000181395_100000747473 [0,0,0,1,0,0|3,0,0]=4 655 B13R1.589 NC(=O)CN1CCCCC1C(=O)N 269982a_100000181395_100000187820 [0,0,0,1,0,0|3,0,0]=4 656 B13R1.589 NC(=O)CN1CCCCC1C(=O)N 34a_100000181395_100000187820 [0,0,0,1,0,0|3,0,0]=4 657 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000187820 [0,0,0,1,0,0|2,0,0]=3 658 B13R1.589 NC(=O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000187820 [0,0,0,1,0,0|3,0,0]=4 659 B13R1.589 NC(=O)CN1CCSCC1C(=O)O 269956a_100011346106_100000187820 [0,0,0,1,0,0|3,0,0]=4 660 B13R1.589 NC(=O)CN1CSCCC1C(=O)O 269956a_100015185162_100000187820 [0,0,0,1,0,0|3,0,0]=4 661 B13R1.589 O=C(O)[C@H]1CCCCN1C[N+](=O)[O-] 269956a_100000763471_100000761209 [0,0,0,1,0,0|2,0,1]=4 662 B13R1.589 O=C([O-])CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100020667443 [0,0,0,1,0,0|1,0,1]=3 663 B13R1.589 O=C([O-])CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100020667443 [0,0,0,1,0,0|2,0,1]=4 664 B13R1.589 O=C([O-])CN1CCSCC1C(=O)O 269956a_100011346106_100020667443 [0,0,0,1,0,0|2,0,1]=4 665 B13R1.589 O=C([O-])CN1CSCCC1C(=O)O 269956a_100015185162_100020667443 [0,0,0,1,0,0|2,0,1]=4 666 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100011215641 [0,0,0,1,0,0|2,0,0]=3 667 B13R1.1065 CC(=O)NCCN1CCC1C(=O)O 269956a_100000021838_100000189650 [0,0,0,1,0,0|3,0,0]=4 668 B13R1.1065 CC(=O)OCCN1CCC1C(=O)O 269956a_100000021838_100009814007 [0,0,0,1,0,0|3,0,0]=4 669 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 269956a_100000021838_200000718107 [0,0,0,1,0,0|2,0,1]=4 670 B13R1.1065 NC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100102525003 [0,0,0,1,0,0|2,0,0]=3 671 B13R1.1065 NC(=O)NCCN1CCC1C(=O)O 269956a_100000021838_200000034859 [0,0,0,1,0,0|3,0,0]=4 672 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730704 [0,0,0,1,0,0|3,0,0]=4 673 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,0,0,1,0,0|2,0,0]=3 674 B13R1.3576 CC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000053229 [0,0,0,1,0,0|3,0,0]=4 675 B13R1.3576 CC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000053229 [0,0,0,1,0,0|3,0,0]=4 676 B13R1.3576 CC(=O)OCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000076356 [0,0,0,1,0,0|3,0,0]=4 677 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276601 [0,0,0,1,0,0|2,0,1]=4 678 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000744528 [0,0,0,1,0,0|3,0,0]=4 679 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000744528 [0,0,0,1,0,0|2,0,0]=3 680 B13R1.3576 NC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000744528 [0,0,0,1,0,0|3,0,0]=4 681 B13R1.3576 NC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000744528 [0,0,0,1,0,0|3,0,0]=4 682 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,0,0,0,1,0|2,0,1]=4 683 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,0,0,0,1,0|3,0,0]=4 684 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,0,0,0,1,0|3,0,0]=4 685 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,1,0|2,0,0]=3 686 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,0,0,0,1,0|3,0,0]=4 687 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,0,0,1,0|3,0,0]=4 688 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,0,0,1,0|3,0,0]=4 689 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,0,0,0,1,0|2,0,1]=4 690 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,0,0,0,1,0|2,0,1]=4 691 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,0,0,1,0|3,0,0]=4 692 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,0,0,0,1,0|3,0,0]=4 693 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,0,0,0,1,0|3,0,0]=4 694 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,0,0,0,1,0|3,0,0]=4 695 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,0,0,0,1,0|3,0,0]=4 696 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,0,0,0,1,0|3,0,0]=4 697 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,0,0,0,1,0|3,0,0]=4 698 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,0,0,0,1,0|3,0,0]=4 699 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,0,0,0,1,0|3,0,0]=4 700 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,0,0,0,1,0|3,0,0]=4 701 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,0,0,0,1,0|3,0,0]=4 702 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,0,0,0,1,0|3,0,0]=4 703 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,0,0,0,1,0|3,0,0]=4 704 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,0,0,0,1,0|3,0,0]=4 705 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,0,0,0,1,0|3,0,0]=4 706 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,0,0,0,1,0|3,0,0]=4 707 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,0,0,0,1,0|3,0,0]=4 708 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,0,0,0,1,0|3,0,0]=4 709 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,0,0,0,1,0|3,0,0]=4 710 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,0,0,0,1,0|3,0,0]=4 711 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,0,0,0,1,0|2,0,1]=4 712 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [0,0,0,0,1,0|3,0,0]=4 713 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [0,0,0,0,1,0|3,0,0]=4 714 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [0,0,0,0,1,0|2,0,1]=4 715 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [0,0,0,0,1,0|3,0,0]=4 716 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [0,0,0,0,1,0|3,0,0]=4 717 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [0,0,0,0,1,0|3,0,0]=4 718 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [0,0,0,0,1,0|3,0,0]=4 719 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [0,0,0,0,1,0|3,0,0]=4 720 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [0,0,0,0,1,0|3,0,0]=4 721 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [0,0,0,0,1,0|3,0,0]=4 722 B11R0.30 NC(=O)COCCNCC(=O)O 269956a_100016091260_100000076697 [0,0,0,0,1,0|3,0,0]=4 723 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,0,0,0,1,0|2,0,1]=4 724 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [0,0,0,0,1,0|2,0,1]=4 725 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 34a_100009813270_100009817443 [0,0,0,0,0,1|3,0,0]=4 726 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,0,0,0,0,1|3,0,0]=4 727 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,0,0,0,0,1|3,0,0]=4 728 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,0,0,0,0,1|3,0,0]=4 729 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,0,0,0,0,1|2,0,1]=4 730 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,0,0,0,0,1|3,0,0]=4 731 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,0,0,0,0,1|3,0,0]=4 732 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,0,0,0,0,1|2,0,0]=3 733 B13R0.179 CC(=O)CCCCNCCNC(=O)N 34a_100020590234_100009817362 [0,0,0,0,0,1|3,0,0]=4 734 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,0,0,0,0,1|2,0,0]=3 735 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,0,0,0,0,1|2,0,0]=3 736 B13R0.179 CC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100009817362 [0,0,0,0,0,1|2,0,1]=4 737 B13R0.179 CC(=O)CCCCOCCNC(=O)C 34a_100000158858_100009817362 [0,0,0,0,0,1|3,0,0]=4 738 B13R0.179 CC(=O)CCCCOCCNC(=O)N 34a_100000181757_100009817362 [0,0,0,0,0,1|3,0,0]=4 739 B13R0.179 CC(=O)CCCCOCCOC(=O)N 7a_100000766696_100000735457 [0,0,0,0,0,1|3,0,0]=4 740 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,0,0,0,0,1|2,0,0]=3 741 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,0,0,0,0,1|2,0,0]=3 742 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,0,0,0,0,1|2,0,0]=3 743 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,0,0,0,0,1|2,0,0]=3 744 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,0,0,0,0,1|2,0,1]=4 745 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,0,0,0,0,1|2,0,1]=4 746 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000735457 [0,0,0,0,0,1|3,0,0]=4 747 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000735457_100000189650 [0,0,0,0,0,1|3,0,0]=4 748 B13R0.179 CC(=O)CCCCSCCNC(=O)N 62a_100000735457_200000034859 [0,0,0,0,0,1|3,0,0]=4 749 B13R0.179 CC(=O)CCCCSCCNC(=O)N 62a_200000034859_100000735457 [0,0,0,0,0,1|3,0,0]=4 750 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100000735457_100009814007 [0,0,0,0,0,1|3,0,0]=4 751 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000735457 [0,0,0,0,0,1|3,0,0]=4 752 B13R0.179 CC(=O)CCCCSCCOC(=O)N 62a_100000735457_200011214921 [0,0,0,0,0,1|3,0,0]=4 753 B13R0.179 CC(=O)CCCCSCCOC(=O)N 62a_200011214921_100000735457 [0,0,0,0,0,1|3,0,0]=4 754 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,0,0,0,0,1|2,0,0]=3 755 B13R0.179 CC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000685027 [0,0,0,0,0,1|3,0,0]=4 756 B13R0.179 CC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011215641 [0,0,0,0,0,1|2,0,0]=3 757 B13R0.179 CC(=O)CCCOCCCCB(O)O 34a_100000759063_200009817182 [0,0,0,0,0,1|2,0,1]=4 758 B13R0.179 CC(=O)CCCOCCCCB(O)O 7a_100000759063_200009817182 [0,0,0,0,0,1|2,0,1]=4 759 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,0,0,0,0,1|2,0,0]=3 760 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,0,0,0,0,1|2,0,0]=3 761 B13R0.179 CC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000685027 [0,0,0,0,0,1|2,0,1]=4 762 B13R0.179 CC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215641 [0,0,0,0,0,1|2,0,1]=4 763 B13R0.179 CC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000685027 [0,0,0,0,0,1|3,0,0]=4 764 B13R0.179 CC(=O)CCCOCCCOC(=O)C 34a_100000759063_100000042594 [0,0,0,0,0,1|3,0,0]=4 765 B13R0.179 CC(=O)CCCOCCCOC(=O)C 7a_100000759063_100000042594 [0,0,0,0,0,1|3,0,0]=4 766 B13R0.179 CC(=O)CCCOCCCSC(=O)C 34a_100000759063_100000038929 [0,0,0,0,0,1|3,0,0]=4 767 B13R0.179 CC(=O)CCCOCCCSC(=O)C 7a_100000759063_100000038929 [0,0,0,0,0,1|3,0,0]=4 768 B13R0.179 CC(=O)CCCOCCOCC(=O)N 34a_100000759063_100000076697 [0,0,0,0,0,1|3,0,0]=4 769 B13R0.179 CC(=O)CCCOCCOCC(=O)N 7a_100000759063_100000076697 [0,0,0,0,0,1|3,0,0]=4 770 B13R0.179 CC(=O)CCCSCCCCB(O)O 62a_100011215641_200009817182 [0,0,0,0,0,1|2,0,1]=4 771 B13R0.179 CC(=O)CCCSCCCCB(O)O 62a_200009817182_100011215641 [0,0,0,0,0,1|2,0,1]=4 772 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011215641 [0,0,0,0,0,1|3,0,0]=4 773 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100011215641_100000042594 [0,0,0,0,0,1|3,0,0]=4 774 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011215641 [0,0,0,0,0,1|3,0,0]=4 775 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100011215641_100000038929 [0,0,0,0,0,1|3,0,0]=4 776 B13R0.179 CC(=O)CCCSCCOCC(=O)N 62a_100000076697_100011215641 [0,0,0,0,0,1|3,0,0]=4 777 B13R0.179 CC(=O)CCCSCCOCC(=O)N 62a_100011215641_100000076697 [0,0,0,0,0,1|3,0,0]=4 778 B13R0.179 CC(=O)CCOCCCCCB(O)O 34a_100000759926_200009817188 [0,0,0,0,0,1|2,0,1]=4 779 B13R0.179 CC(=O)CCOCCCCCB(O)O 7a_100000759926_200009817188 [0,0,0,0,0,1|2,0,1]=4 780 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,0,0,0,0,1|2,0,0]=3 781 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,0,0,0,0,1|2,0,0]=3 782 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,0,0,0,0,1|2,0,0]=3 783 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,0,0,0,0,1|1,0,1]=3 784 B13R0.179 CC(=O)CCOCCCCOC(=O)C 34a_100000759926_100000033659 [0,0,0,0,0,1|3,0,0]=4 785 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000053229 [0,0,0,0,0,1|3,0,0]=4 786 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000759926_100000033659 [0,0,0,0,0,1|3,0,0]=4 787 B13R0.179 CC(=O)CCOCCCCSC(=O)C 34a_100000759926_200010402107 [0,0,0,0,0,1|3,0,0]=4 788 B13R0.179 CC(=O)CCOCCCCSC(=O)C 7a_100000759926_200010402107 [0,0,0,0,0,1|3,0,0]=4 789 B13R0.179 CC(=O)CCSCCCCCB(O)O 62a_100000053229_200009817188 [0,0,0,0,0,1|2,0,1]=4 790 B13R0.179 CC(=O)CCSCCCCCB(O)O 62a_200009817188_100000053229 [0,0,0,0,0,1|2,0,1]=4 791 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,0,0,0,0,1|2,0,0]=3 792 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,0,0,0,0,1|2,0,0]=3 793 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000053229 [0,0,0,0,0,1|3,0,0]=4 794 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000053229_100000033659 [0,0,0,0,0,1|3,0,0]=4 795 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_100000053229_200010402107 [0,0,0,0,0,1|3,0,0]=4 796 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000053229 [0,0,0,0,0,1|3,0,0]=4 797 B13R0.179 CC(=O)COCCCCCCB(O)O 34a_100000211253_100009817187 [0,0,0,0,0,1|2,0,1]=4 798 B13R0.179 CC(=O)COCCCCCOC(=O)C 34a_100000211253_100000033007 [0,0,0,0,0,1|3,0,0]=4 799 B13R0.179 CC(=O)NCCCCCCNC(=O)C 11a_200011996284_100015343762 [0,0,0,0,0,1|3,0,0]=4 800 B13R0.179 CC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100015343762 [0,0,0,0,0,1|3,0,0]=4 801 B13R0.179 CC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100015343762 [0,0,0,0,0,1|3,0,0]=4 802 B13R0.179 CC(=O)NCCCCCCNC(=O)C 527a_200011996284_100103153847 [0,0,0,0,0,1|3,0,0]=4 803 B13R0.179 CC(=O)NCCCCCCSC(=O)C 11a_100000704104_100015343762 [0,0,0,0,0,1|3,0,0]=4 804 B13R0.179 CC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100015343762 [0,0,0,0,0,1|3,0,0]=4 805 B13R0.179 CC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100015343762 [0,0,0,0,0,1|3,0,0]=4 806 B13R0.179 CC(=O)NCCCCCCSC(=O)C 527a_100000704104_100103153847 [0,0,0,0,0,1|3,0,0]=4 807 B13R0.179 CC(=O)NCCCCCNCC(=O)N 2230a_200012022750_100000747473 [0,0,0,0,0,1|3,0,0]=4 808 B13R0.179 CC(=O)NCCCCCNCC(=O)N 34a_200012022750_100000187820 [0,0,0,0,0,1|3,0,0]=4 809 B13R0.179 CC(=O)NCCCCCNCC(=O)[O-] 34a_200012022750_100020667443 [0,0,0,0,0,1|2,0,1]=4 810 B13R0.179 CC(=O)NCCCCNCCC(=O)N 2230a_200011368371_100000744528 [0,0,0,0,0,1|3,0,0]=4 811 B13R0.179 CC(=O)NCCCCNCCC(=O)N 34a_200011368371_100000731001 [0,0,0,0,0,1|3,0,0]=4 812 B13R0.179 CC(=O)NCCCNCCCC(=O)N 34a_100000736810_100102525003 [0,0,0,0,0,1|3,0,0]=4 813 B13R0.179 CC(=O)NCCCOCCCC(=O)N 34a_100000752032_100102525003 [0,0,0,0,0,1|3,0,0]=4 814 B13R0.179 CC(=O)NCCNCCOCC(=O)O 269956a_100000700818_100000189650 [0,0,0,0,0,1|3,0,0]=4 815 B13R0.179 CC(=O)NCCOCCCCC(=O)N 7a_100012022536_100000189650 [0,0,0,0,0,1|3,0,0]=4 816 B13R0.179 CC(=O)OCCCCCNCC(=O)N 2230a_100000711301_100009813381 [0,0,0,0,0,1|3,0,0]=4 817 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,0,0,0,0,1|2,0,0]=3 818 B13R0.179 CC(=O)OCCCCCSCC(=O)N 62a_100000033007_100000747473 [0,0,0,0,0,1|3,0,0]=4 819 B13R0.179 CC(=O)OCCCCCSCC(=O)N 62a_100000747473_100000033007 [0,0,0,0,0,1|3,0,0]=4 820 B13R0.179 CC(=O)OCCCCCSCC(=O)[O-] 62a_100000033007_100020667443 [0,0,0,0,0,1|2,0,1]=4 821 B13R0.179 CC(=O)OCCCCCSCC(=O)[O-] 62a_100020667443_100000033007 [0,0,0,0,0,1|2,0,1]=4 822 B13R0.179 CC(=O)OCCCCNOCC(=O)O 269956a_100000106656_100000033659 [0,0,0,0,0,1|3,0,0]=4 823 B13R0.179 CC(=O)OCCCCOCCC(=O)N 34a_100000073216_100000731001 [0,0,0,0,0,1|3,0,0]=4 824 B13R0.179 CC(=O)OCCCCOCCC(=O)N 34a_100000757172_100000033659 [0,0,0,0,0,1|3,0,0]=4 825 B13R0.179 CC(=O)OCCCCOCCC(=O)N 7a_100000073216_100000744528 [0,0,0,0,0,1|3,0,0]=4 826 B13R0.179 CC(=O)OCCCCOCCC(=O)N 7a_100000757172_100000033659 [0,0,0,0,0,1|3,0,0]=4 827 B13R0.179 CC(=O)OCCCCSCCC(=O)N 62a_100000033659_100000744528 [0,0,0,0,0,1|3,0,0]=4 828 B13R0.179 CC(=O)OCCCCSCCC(=O)N 62a_100000744528_100000033659 [0,0,0,0,0,1|3,0,0]=4 829 B13R0.179 CC(=O)OCCCNCCCC(=O)N 34a_100000739312_100000042594 [0,0,0,0,0,1|3,0,0]=4 830 B13R0.179 CC(=O)OCCCSCCCC(=O)N 62a_100000042594_100102525003 [0,0,0,0,0,1|3,0,0]=4 831 B13R0.179 CC(=O)OCCCSCCCC(=O)N 62a_100102525003_100000042594 [0,0,0,0,0,1|3,0,0]=4 832 B13R0.179 CC(=O)OCCNCCCCC(=O)N 34a_100000696515_100009814007 [0,0,0,0,0,1|3,0,0]=4 833 B13R0.179 CC(=O)OCCNCCOCC(=O)O 269956a_100000700818_100009814007 [0,0,0,0,0,1|3,0,0]=4 834 B13R0.179 CC(=O)OCCOCCCCC(=O)N 34a_100012022536_100009814007 [0,0,0,0,0,1|3,0,0]=4 835 B13R0.179 CC(=O)OCCOCCCCC(=O)N 7a_100012022536_100009814007 [0,0,0,0,0,1|3,0,0]=4 836 B13R0.179 CC(=O)OCCOCCNCC(=O)O 269956a_100016091260_200000083610 [0,0,0,0,0,1|3,0,0]=4 837 B13R0.179 CC(=O)OCOCCCCCC(=O)N 34a_100000123541_100009813279 [0,0,0,0,0,1|3,0,0]=4 838 B13R0.179 CC(=O)OCSCCCCCC(=O)N 62a_100000076356_100009817443 [0,0,0,0,0,1|3,0,0]=4 839 B13R0.179 CC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000076356 [0,0,0,0,0,1|3,0,0]=4 840 B13R0.179 CC(=O)SCCCCNOCC(=O)O 269956a_100000106656_200010402107 [0,0,0,0,0,1|3,0,0]=4 841 B13R0.179 CC(=O)SCCCCOCCC(=O)N 34a_100000757172_200010402107 [0,0,0,0,0,1|3,0,0]=4 842 B13R0.179 CC(=O)SCCCCOCCC(=O)N 7a_100000757172_200010402107 [0,0,0,0,0,1|3,0,0]=4 843 B13R0.179 CC(=O)SCCCCSCCC(=O)N 62a_100000744528_200010402107 [0,0,0,0,0,1|3,0,0]=4 844 B13R0.179 CC(=O)SCCCCSCCC(=O)N 62a_200010402107_100000744528 [0,0,0,0,0,1|3,0,0]=4 845 B13R0.179 CC(=O)SCCCNCCCC(=O)N 34a_100000739312_100000038929 [0,0,0,0,0,1|3,0,0]=4 846 B13R0.179 CC(=O)SCCCSCCCC(=O)N 62a_100000038929_100102525003 [0,0,0,0,0,1|3,0,0]=4 847 B13R0.179 CC(=O)SCCCSCCCC(=O)N 62a_100102525003_100000038929 [0,0,0,0,0,1|3,0,0]=4 848 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,0,0,0,0,1|2,0,1]=4 849 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,0,0,0,0,1|2,0,1]=4 850 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,0,0,0,0,1|2,0,1]=4 851 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,0,0,0,0,1|2,0,1]=4 852 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,0,0,0,0,1|2,0,1]=4 853 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,0,0,0,0,1|2,0,1]=4 854 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,0,0,0,0,1|2,0,1]=4 855 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,0,0,0,0,1|1,0,2]=4 856 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,0,0,0,0,1|2,0,1]=4 857 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,0,0,0,0,1|2,0,1]=4 858 B13R0.179 NC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009817443 [0,0,0,0,0,1|2,0,0]=3 859 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000123541_100000731001 [0,0,0,0,0,1|2,0,0]=3 860 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009817443 [0,0,0,0,0,1|2,0,0]=3 861 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000123541_100000744528 [0,0,0,0,0,1|2,0,0]=3 862 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009817443 [0,0,0,0,0,1|2,0,0]=3 863 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009817443 [0,0,0,0,0,1|2,0,0]=3 864 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100009817443_100000744528 [0,0,0,0,0,1|2,0,0]=3 865 B13R0.179 NC(=O)CCCCNCCCC(=O)N 34a_100000696515_100102525003 [0,0,0,0,0,1|2,0,0]=3 866 B13R0.179 NC(=O)CCCCNCCOC(=O)N 34a_100000696515_200011214921 [0,0,0,0,0,1|3,0,0]=4 867 B13R0.179 NC(=O)CCCCOCCCC(=O)N 34a_100012022536_100102525003 [0,0,0,0,0,1|2,0,0]=3 868 B13R0.179 NC(=O)CCCCOCCCC(=O)N 7a_100012022536_100102525003 [0,0,0,0,0,1|2,0,0]=3 869 B13R0.179 NC(=O)CCCCOCCNC(=O)N 7a_100012022536_200000034859 [0,0,0,0,0,1|3,0,0]=4 870 B13R0.179 NC(=O)CCCCOCCOC(=O)N 34a_100012022536_200011214921 [0,0,0,0,0,1|3,0,0]=4 871 B13R0.179 NC(=O)CCCCOCCOC(=O)N 7a_100012022536_200011214921 [0,0,0,0,0,1|3,0,0]=4 872 B13R0.179 NC(=O)CCCNCCCCB(O)O 34a_100000739312_200009817182 [0,0,0,0,0,1|2,0,1]=4 873 B13R0.179 NC(=O)CCCNCCOCC(=O)N 34a_100000739312_100000076697 [0,0,0,0,0,1|3,0,0]=4 874 B13R0.179 NC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100102525003 [0,0,0,0,0,1|2,0,0]=3 875 B13R0.179 NC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100102525003 [0,0,0,0,0,1|2,0,1]=4 876 B13R0.179 NC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100102525003 [0,0,0,0,0,1|2,0,1]=4 877 B13R0.179 NC(=O)CCCSCCCCB(O)O 62a_100102525003_200009817182 [0,0,0,0,0,1|2,0,1]=4 878 B13R0.179 NC(=O)CCCSCCCCB(O)O 62a_200009817182_100102525003 [0,0,0,0,0,1|2,0,1]=4 879 B13R0.179 NC(=O)CCCSCCOCC(=O)N 62a_100000076697_100102525003 [0,0,0,0,0,1|3,0,0]=4 880 B13R0.179 NC(=O)CCCSCCOCC(=O)N 62a_100102525003_100000076697 [0,0,0,0,0,1|3,0,0]=4 881 B13R0.179 NC(=O)CCOCCCCCB(O)O 34a_100000757172_200009817188 [0,0,0,0,0,1|2,0,1]=4 882 B13R0.179 NC(=O)CCOCCCCCB(O)O 7a_100000757172_200009817188 [0,0,0,0,0,1|2,0,1]=4 883 B13R0.179 NC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000744528 [0,0,0,0,0,1|1,0,1]=3 884 B13R0.179 NC(=O)CCSCCCCCB(O)O 62a_100000744528_200009817188 [0,0,0,0,0,1|2,0,1]=4 885 B13R0.179 NC(=O)CCSCCCCCB(O)O 62a_200009817188_100000744528 [0,0,0,0,0,1|2,0,1]=4 886 B13R0.179 NC(=O)CNCCCCCCB(O)O 2230a_100000711301_100009817187 [0,0,0,0,0,1|2,0,1]=4 887 B13R0.179 NC(=O)CSCCCCCCB(O)O 62a_100000747473_100009817187 [0,0,0,0,0,1|2,0,1]=4 888 B13R0.179 NC(=O)CSCCCCCCB(O)O 62a_100009817187_100000747473 [0,0,0,0,0,1|2,0,1]=4 889 B13R0.179 NC(=O)NCCNCCOCC(=O)O 269956a_100000700818_200000034859 [0,0,0,0,0,1|3,0,0]=4 890 B13R0.179 O=C(O)CNCCCCCCB(O)O 269956a_100016091260_100009817187 [0,0,0,0,0,1|1,0,1]=3 891 B13R0.179 O=C(O)CONCCCCCB(O)O 269956a_100000106656_200009817188 [0,0,0,0,0,1|2,0,1]=4 892 B13R0.179 O=C([O-])CSCCCCCCB(O)O 62a_100009817187_100020667443 [0,0,0,0,0,1|1,0,2]=4 893 B13R0.179 O=C([O-])CSCCCCCCB(O)O 62a_100020667443_100009817187 [0,0,0,0,0,1|1,0,2]=4 894 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [2,0,0,0,0,0|1,0,1]=4 895 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [2,0,0,0,0,0|1,0,1]=4 896 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [2,0,0,0,0,0|1,0,1]=4 897 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [2,0,0,0,0,0|1,0,1]=4 898 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|1,0,0]=3 899 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|1,0,0]=3 900 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [2,0,0,0,0,0|2,0,0]=4 901 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [2,0,0,0,0,0|2,0,0]=4 902 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [2,0,0,0,0,0|2,0,0]=4 903 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [2,0,0,0,0,0|2,0,0]=4 904 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [2,0,0,0,0,0|2,0,0]=4 905 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [2,0,0,0,0,0|2,0,0]=4 906 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [2,0,0,0,0,0|2,0,0]=4 907 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [2,0,0,0,0,0|2,0,0]=4 908 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [2,0,0,0,0,0|2,0,0]=4 909 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [2,0,0,0,0,0|2,0,0]=4 910 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [2,0,0,0,0,0|2,0,0]=4 911 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [2,0,0,0,0,0|2,0,0]=4 912 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [2,0,0,0,0,0|2,0,0]=4 913 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [2,0,0,0,0,0|2,0,0]=4 914 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [2,0,0,0,0,0|2,0,0]=4 915 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [2,0,0,0,0,0|2,0,0]=4 916 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [2,0,0,0,0,0|2,0,0]=4 917 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [2,0,0,0,0,0|2,0,0]=4 918 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [2,0,0,0,0,0|2,0,0]=4 919 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,1]=4 920 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,1]=4 921 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,1]=4 922 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,1]=4 923 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [2,0,0,0,0,0|2,0,0]=4 924 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [2,0,0,0,0,0|2,0,0]=4 925 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [2,0,0,0,0,0|2,0,0]=4 926 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [2,0,0,0,0,0|2,0,0]=4 927 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [2,0,0,0,0,0|2,0,0]=4 928 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [2,0,0,0,0,0|2,0,0]=4 929 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [2,0,0,0,0,0|2,0,0]=4 930 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [2,0,0,0,0,0|2,0,0]=4 931 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [2,0,0,0,0,0|2,0,0]=4 932 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [2,0,0,0,0,0|2,0,0]=4 933 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [2,0,0,0,0,0|2,0,0]=4 934 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [2,0,0,0,0,0|2,0,0]=4 935 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [2,0,0,0,0,0|2,0,0]=4 936 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [2,0,0,0,0,0|2,0,0]=4 937 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [2,0,0,0,0,0|2,0,0]=4 938 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [2,0,0,0,0,0|2,0,0]=4 939 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [2,0,0,0,0,0|2,0,0]=4 940 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [2,0,0,0,0,0|2,0,0]=4 941 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [2,0,0,0,0,0|2,0,0]=4 942 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [2,0,0,0,0,0|2,0,0]=4 943 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [2,0,0,0,0,0|2,0,0]=4 944 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [2,0,0,0,0,0|2,0,0]=4 945 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [2,0,0,0,0,0|2,0,0]=4 946 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [2,0,0,0,0,0|2,0,0]=4 947 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [2,0,0,0,0,0|2,0,0]=4 948 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [2,0,0,0,0,0|2,0,0]=4 949 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 950 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|1,0,0]=3 951 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [2,0,0,0,0,0|2,0,0]=4 952 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [2,0,0,0,0,0|2,0,0]=4 953 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [2,0,0,0,0,0|2,0,0]=4 954 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [2,0,0,0,0,0|1,0,1]=4 955 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [2,0,0,0,0,0|1,0,1]=4 956 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [2,0,0,0,0,0|1,0,1]=4 957 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [2,0,0,0,0,0|1,0,0]=3 958 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [2,0,0,0,0,0|1,0,1]=4 959 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [2,0,0,0,0,0|1,0,1]=4 960 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [2,0,0,0,0,0|2,0,0]=4 961 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [2,0,0,0,0,0|2,0,0]=4 962 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|1,0,0]=3 963 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [2,0,0,0,0,0|2,0,0]=4 964 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [2,0,0,0,0,0|2,0,0]=4 965 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [2,0,0,0,0,0|2,0,0]=4 966 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [2,0,0,0,0,0|2,0,0]=4 967 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [2,0,0,0,0,0|2,0,0]=4 968 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [2,0,0,0,0,0|2,0,0]=4 969 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [2,0,0,0,0,0|2,0,0]=4 970 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [2,0,0,0,0,0|2,0,0]=4 971 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [2,0,0,0,0,0|2,0,0]=4 972 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [2,0,0,0,0,0|2,0,0]=4 973 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [2,0,0,0,0,0|2,0,0]=4 974 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [2,0,0,0,0,0|2,0,0]=4 975 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [2,0,0,0,0,0|2,0,0]=4 976 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [2,0,0,0,0,0|2,0,0]=4 977 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [2,0,0,0,0,0|1,0,1]=4 978 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [2,0,0,0,0,0|1,0,0]=3 979 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [2,0,0,0,0,0|1,0,0]=3 980 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [2,0,0,0,0,0|1,0,1]=4 981 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [2,0,0,0,0,0|1,0,1]=4 982 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [2,0,0,0,0,0|1,0,1]=4 983 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [2,0,0,0,0,0|1,0,1]=4 984 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [2,0,0,0,0,0|1,0,1]=4 985 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [2,0,0,0,0,0|1,0,0]=3 986 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [2,0,0,0,0,0|1,0,1]=4 987 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [2,0,0,0,0,0|1,0,1]=4 988 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [2,0,0,0,0,0|1,0,1]=4 989 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [2,0,0,0,0,0|1,0,1]=4 990 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [2,0,0,0,0,0|1,0,1]=4 991 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [2,0,0,0,0,0|1,0,1]=4 992 B12R0.4 C=CCCCCCN(C)CC(=O)O 269956a_100000746989_100000700193 [1,1,0,0,0,0|2,0,0]=4 993 B12R0.4 C=CCCCNCC(O)CC(=O)O 269956a_100011218706_100011713584 [1,1,0,0,0,0|2,0,0]=4 994 B12R0.4 CN(CCCCCC=O)CC(=O)N 2230a_100000739694_100000139337 [1,1,0,0,0,0|2,0,0]=4 995 B12R0.4 CN(CCCCCC=O)CC(=O)O 269956a_100000746989_100000139337 [1,1,0,0,0,0|1,0,0]=3 996 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [1,1,0,0,0,0|1,0,1]=4 997 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [1,1,0,0,0,0|1,0,1]=4 998 B12R0.4 O=CCCCNCC(O)CC(=O)O 269956a_100011218706_200011292268 [1,1,0,0,0,0|1,0,0]=3 999 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [1,1,0,0,0,0|2,0,0]=4 1000 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [1,1,0,0,0,0|1,0,0]=3 1001 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [1,1,0,0,0,0|1,0,1]=4 1002 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [1,1,0,0,0,0|1,0,1]=4 1003 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [1,1,0,0,0,0|2,0,0]=4 1004 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [1,1,0,0,0,0|2,0,0]=4 1005 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,1,0,0,0,0|2,0,0]=4 1006 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,1,0,0,0,0|2,0,0]=4 1008 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [1,1,0,0,0,0|2,0,0]=4 1009 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [1,1,0,0,0,0|1,0,0]=3 1010 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [1,1,0,0,0,0|2,0,0]=4 1011 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [1,1,0,0,0,0|2,0,0]=4 1012 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [1,1,0,0,0,0|2,0,0]=4 1013 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [1,1,0,0,0,0|1,0,1]=4 1014 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [1,1,0,0,0,0|2,0,0]=4 1015 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [1,1,0,0,0,0|2,0,0]=4 1016 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [1,1,0,0,0,0|1,0,1]=4 1017 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [1,1,0,0,0,0|1,0,1]=4 1018 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [1,1,0,0,0,0|2,0,0]=4 1019 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [1,1,0,0,0,0|2,0,0]=4 1020 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [1,1,0,0,0,0|2,0,0]=4 1021 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [1,1,0,0,0,0|2,0,0]=4 1022 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [1,1,0,0,0,0|2,0,0]=4 1023 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [1,1,0,0,0,0|2,0,0]=4 1024 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [1,1,0,0,0,0|2,0,0]=4 1025 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [1,1,0,0,0,0|2,0,0]=4 1026 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [1,1,0,0,0,0|2,0,0]=4 1027 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [1,1,0,0,0,0|2,0,0]=4 1028 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [1,1,0,0,0,0|2,0,0]=4 1029 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [1,1,0,0,0,0|2,0,0]=4 1030 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [1,1,0,0,0,0|2,0,0]=4 1031 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [1,1,0,0,0,0|2,0,0]=4 1032 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [1,1,0,0,0,0|2,0,0]=4 1033 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [1,1,0,0,0,0|2,0,0]=4 1034 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [1,1,0,0,0,0|2,0,0]=4 1035 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [1,1,0,0,0,0|2,0,0]=4 1036 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [1,1,0,0,0,0|2,0,0]=4 1037 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [1,1,0,0,0,0|2,0,0]=4 1038 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [1,1,0,0,0,0|2,0,0]=4 1039 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [1,1,0,0,0,0|2,0,0]=4 1040 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [1,1,0,0,0,0|2,0,0]=4 1041 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [1,1,0,0,0,0|2,0,0]=4 1042 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [1,1,0,0,0,0|2,0,0]=4 1043 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [1,1,0,0,0,0|2,0,0]=4 1044 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [1,1,0,0,0,0|2,0,0]=4 1045 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [1,1,0,0,0,0|2,0,0]=4 1046 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [1,1,0,0,0,0|2,0,0]=4 1047 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [1,1,0,0,0,0|2,0,0]=4 1048 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [1,1,0,0,0,0|2,0,0]=4 1049 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [1,1,0,0,0,0|2,0,0]=4 1050 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [1,1,0,0,0,0|2,0,0]=4 1051 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [1,1,0,0,0,0|2,0,0]=4 1052 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [1,1,0,0,0,0|2,0,0]=4 1053 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [1,1,0,0,0,0|2,0,0]=4 1054 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [1,1,0,0,0,0|2,0,0]=4 1055 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [1,1,0,0,0,0|2,0,0]=4 1056 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [1,1,0,0,0,0|1,0,1]=4 1057 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [1,1,0,0,0,0|2,0,0]=4 1058 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [1,1,0,0,0,0|2,0,0]=4 1059 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,1,0,0,0,0|1,0,1]=4 1060 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,1,0,0,0,0|1,0,1]=4 1061 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [1,1,0,0,0,0|1,0,0]=3 1062 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [1,1,0,0,0,0|1,0,0]=3 1063 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,1,0,0,0,0|1,0,1]=4 1064 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,1,0,0,0,0|1,0,1]=4 1065 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,1,0,0,0,0|1,0,1]=4 1066 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [1,1,0,0,0,0|1,0,0]=3 1067 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,1,0,0,0,0|1,0,1]=4 1068 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,1,0,0,0,0|1,0,1]=4 1069 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [1,1,0,0,0,0|1,0,0]=3 1070 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [1,1,0,0,0,0|1,0,0]=3 1071 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,1,0,0,0,0|1,0,1]=4 1072 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,1,0,0,0,0|1,0,1]=4 1073 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [1,1,0,0,0,0|1,0,0]=3 1074 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,1,0,0,0,0|1,0,1]=4 1075 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,1,0,0,0,0|1,0,1]=4 1076 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [1,1,0,0,0,0|1,0,0]=3 1077 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [1,1,0,0,0,0|1,0,0]=3 1078 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,1,0,0,0,0|1,0,1]=4 1079 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,1,0,0,0,0|1,0,1]=4 1080 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,1,0,0,0,0|1,0,1]=4 1081 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,1,0,0,0,0|1,0,1]=4 1082 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [1,1,0,0,0,0|2,0,0]=4 1083 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [1,1,0,0,0,0|2,0,0]=4 1084 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [1,1,0,0,0,0|2,0,0]=4 1085 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [1,1,0,0,0,0|2,0,0]=4 1086 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [1,1,0,0,0,0|2,0,0]=4 1087 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [1,1,0,0,0,0|2,0,0]=4 1088 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [1,1,0,0,0,0|2,0,0]=4 1089 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [1,1,0,0,0,0|2,0,0]=4 1090 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [1,1,0,0,0,0|2,0,0]=4 1091 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [1,1,0,0,0,0|2,0,0]=4 1092 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [1,1,0,0,0,0|2,0,0]=4 1093 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [1,1,0,0,0,0|2,0,0]=4 1094 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [1,1,0,0,0,0|2,0,0]=4 1095 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [1,1,0,0,0,0|2,0,0]=4 1096 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [1,1,0,0,0,0|2,0,0]=4 1097 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [1,1,0,0,0,0|1,0,1]=4 1098 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [1,1,0,0,0,0|1,0,1]=4 1099 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [1,1,0,0,0,0|1,0,1]=4 1100 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [1,1,0,0,0,0|1,0,1]=4 1101 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [1,1,0,0,0,0|1,0,1]=4 1102 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,1,0,0,0,0|1,0,1]=4 1103 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,1,0,0,0,0|1,0,1]=4 1104 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [1,1,0,0,0,0|2,0,0]=4 1105 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [1,1,0,0,0,0|1,0,1]=4 1106 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,1,0,0,0,0|1,0,1]=4 1107 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,1,0,0,0,0|1,0,1]=4 1108 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,1,0,0,0,0|1,0,1]=4 1109 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,1,0,0,0,0|1,0,1]=4 1110 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,1,0,0,0,0|1,0,1]=4 1111 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [1,1,0,0,0,0|1,0,0]=3 1112 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,1,0,0,0,0|1,0,1]=4 1113 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,1,0,0,0,0|1,0,1]=4 1114 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,1,0,0,0,0|1,0,1]=4 1115 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,1,0,0,0,0|1,0,1]=4 1116 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [1,1,0,0,0,0|1,0,0]=3 1117 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [1,1,0,0,0,0|1,0,0]=3 1118 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,1,0,0,0,0|1,0,1]=4 1119 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,1,0,0,0,0|1,0,1]=4 1120 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,1,0,0,0,0|1,0,1]=4 1121 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,1,0,0,0,0|1,0,1]=4 1122 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [1,1,0,0,0,0|1,0,0]=3 1123 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,1,0,0,0,0|1,0,1]=4 1124 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,1,0,0,0,0|1,0,1]=4 1125 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [1,1,0,0,0,0|1,0,0]=3 1126 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [1,1,0,0,0,0|1,0,0]=3 1127 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,1,0,0,0,0|1,0,1]=4 1128 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,1,0,0,0,0|1,0,1]=4 1129 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,1,0,0,0,0|1,0,1]=4 1130 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,1,0,0,0,0|1,0,1]=4 1131 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,1,0,0,0,0|1,0,1]=4 1132 B12R0.234 NC(=O)COCCSCCCC=O 62a_100000076697_200011292268 [1,1,0,0,0,0|2,0,0]=4 1133 B12R0.234 NC(=O)COCCSCCCC=O 62a_200011292268_100000076697 [1,1,0,0,0,0|2,0,0]=4 1134 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,1,0,0,0,0|1,0,1]=4 1135 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,1,0,0,0,0|1,0,1]=4 1136 B12R0.234 NC(=O)NCCSCCCCC=O 62a_100000139335_200000034859 [1,1,0,0,0,0|2,0,0]=4 1137 B12R0.234 NC(=O)NCCSCCCCC=O 62a_200000034859_100000139335 [1,1,0,0,0,0|2,0,0]=4 1138 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [1,1,0,0,0,0|2,0,0]=4 1139 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [1,1,0,0,0,0|2,0,0]=4 1140 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [1,1,0,0,0,0|2,0,0]=4 1141 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,1,0,0,0,0|0,0,1]=3 1142 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [1,1,0,0,0,0|1,0,1]=4 1143 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [1,1,0,0,0,0|1,0,1]=4 1144 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,1,0,0,0,0|0,0,2]=4 1145 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,1,0,0,0,0|0,0,2]=4 1146 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,1,0,0,0,0|0,0,2]=4 1147 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,1,0,0,0,0|0,0,2]=4 1148 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [1,1,0,0,0,0|1,0,0]=3 1149 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [1,1,0,0,0,0|1,0,0]=3 1150 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [1,1,0,0,0,0|1,0,1]=4 1151 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [1,1,0,0,0,0|1,0,1]=4 1152 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [1,1,0,0,0,0|1,0,1]=4 1153 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [1,1,0,0,0,0|1,0,1]=4 1154 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [1,1,0,0,0,0|1,0,1]=4 1155 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [1,1,0,0,0,0|2,0,0]=4 1156 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [1,1,0,0,0,0|1,0,1]=4 1157 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [1,1,0,0,0,0|1,0,1]=4 1158 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [1,1,0,0,0,0|1,0,1]=4 1159 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [1,1,0,0,0,0|2,0,0]=4 1160 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,1,0,0,0,0|2,0,0]=4 1161 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,1,0,0,0,0|2,0,0]=4 1162 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [1,1,0,0,0,0|2,0,0]=4 1163 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [1,1,0,0,0,0|1,0,0]=3 1164 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [1,1,0,0,0,0|2,0,0]=4 1165 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [1,1,0,0,0,0|2,0,0]=4 1166 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [1,1,0,0,0,0|2,0,0]=4 1167 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [1,1,0,0,0,0|2,0,0]=4 1168 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [1,1,0,0,0,0|2,0,0]=4 1169 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [1,1,0,0,0,0|2,0,0]=4 1170 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [1,1,0,0,0,0|2,0,0]=4 1171 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [1,1,0,0,0,0|2,0,0]=4 1172 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [1,1,0,0,0,0|2,0,0]=4 1173 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [1,1,0,0,0,0|2,0,0]=4 1174 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [1,1,0,0,0,0|2,0,0]=4 1175 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [1,1,0,0,0,0|2,0,0]=4 1176 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [1,1,0,0,0,0|2,0,0]=4 1177 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [1,1,0,0,0,0|2,0,0]=4 1178 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [1,1,0,0,0,0|2,0,0]=4 1179 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [1,1,0,0,0,0|2,0,0]=4 1180 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [1,1,0,0,0,0|2,0,0]=4 1181 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [1,1,0,0,0,0|2,0,0]=4 1182 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [1,1,0,0,0,0|2,0,0]=4 1183 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [1,1,0,0,0,0|2,0,0]=4 1184 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [1,1,0,0,0,0|2,0,0]=4 1185 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [1,1,0,0,0,0|2,0,0]=4 1186 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [1,1,0,0,0,0|2,0,0]=4 1187 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [1,1,0,0,0,0|2,0,0]=4 1188 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [1,1,0,0,0,0|2,0,0]=4 1189 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [1,1,0,0,0,0|2,0,0]=4 1190 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [1,1,0,0,0,0|2,0,0]=4 1191 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [1,1,0,0,0,0|2,0,0]=4 1192 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [1,1,0,0,0,0|2,0,0]=4 1193 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [1,1,0,0,0,0|2,0,0]=4 1194 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [1,1,0,0,0,0|2,0,0]=4 1195 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [1,1,0,0,0,0|2,0,0]=4 1196 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,1,0,0,0,0|1,0,1]=4 1197 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [1,1,0,0,0,0|2,0,0]=4 1198 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [1,1,0,0,0,0|2,0,0]=4 1199 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,1,0,0,0,0|1,0,1]=4 1200 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [1,1,0,0,0,0|1,0,1]=4 1201 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [1,1,0,0,0,0|2,0,0]=4 1202 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [1,1,0,0,0,0|2,0,0]=4 1203 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [1,1,0,0,0,0|2,0,0]=4 1204 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [1,1,0,0,0,0|2,0,0]=4 1205 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [1,1,0,0,0,0|2,0,0]=4 1206 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [1,1,0,0,0,0|2,0,0]=4 1207 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [1,1,0,0,0,0|2,0,0]=4 1208 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [1,1,0,0,0,0|2,0,0]=4 1209 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [1,1,0,0,0,0|2,0,0]=4 1210 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,1,0,0,0,0|2,0,0]=4 1211 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,1,0,0,0,0|2,0,0]=4 1212 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,1,0,0,0,0|2,0,0]=4 1213 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1214 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1215 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,1,0,0,0,0|2,0,0]=4 1217 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,1,0,0,0,0|2,0,0]=4 1218 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,1,0,0,0,0|2,0,0]=4 1219 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [1,1,0,0,0,0|1,0,1]=4 1220 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [1,1,0,0,0,0|1,0,1]=4 1221 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [1,1,0,0,0,0|1,0,0]=3 1222 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [1,1,0,0,0,0|1,0,0]=3 1223 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [1,1,0,0,0,0|1,0,1]=4 1224 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [1,1,0,0,0,0|1,0,1]=4 1225 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [1,1,0,0,0,0|1,0,0]=3 1226 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [1,1,0,0,0,0|1,0,0]=3 1227 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [1,1,0,0,0,0|1,0,1]=4 1228 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [1,1,0,0,0,0|1,0,1]=4 1229 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [1,1,0,0,0,0|1,0,1]=4 1230 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [1,1,0,0,0,0|1,0,1]=4 1231 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [1,1,0,0,0,0|1,0,1]=4 1232 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [1,1,0,0,0,0|1,0,1]=4 1233 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [1,1,0,0,0,0|1,0,1]=4 1234 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [1,1,0,0,0,0|1,0,1]=4 1235 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [1,1,0,0,0,0|1,0,0]=3 1236 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [1,1,0,0,0,0|1,0,0]=3 1237 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [1,1,0,0,0,0|1,0,1]=4 1238 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [1,1,0,0,0,0|1,0,1]=4 1239 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [1,1,0,0,0,0|1,0,1]=4 1240 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [1,1,0,0,0,0|1,0,1]=4 1241 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [1,1,0,0,0,0|1,0,0]=3 1242 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [1,1,0,0,0,0|1,0,0]=3 1243 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [1,1,0,0,0,0|1,0,1]=4 1244 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [1,1,0,0,0,0|1,0,1]=4 1245 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [1,1,0,0,0,0|1,0,1]=4 1246 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [1,1,0,0,0,0|1,0,1]=4 1247 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [1,1,0,0,0,0|1,0,0]=3 1248 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [1,1,0,0,0,0|1,0,0]=3 1249 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [1,1,0,0,0,0|1,0,1]=4 1250 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [1,1,0,0,0,0|1,0,1]=4 1251 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [1,1,0,0,0,0|2,0,0]=4 1252 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1253 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,1,0,0,0,0|2,0,0]=4 1254 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1255 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [1,1,0,0,0,0|0,0,1]=3 1256 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [1,1,0,0,0,0|1,0,1]=4 1257 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000700193 [1,1,0,0,0,0|2,0,0]=4 1258 B12R0.251 C=CCCCCNCC(C)C(=O)O 269956a_100000749485_100011215482 [1,1,0,0,0,0|2,0,0]=4 1259 B12R0.251 C=CCCCCNCC(F)C(=O)O 269956a_100000084737_100011215482 [1,1,0,0,0,0|2,0,0]=4 1260 B12R0.251 CC(=O)C(C)COCCCCC=O 7a_100000032740_100000139335 [1,1,0,0,0,0|2,0,0]=4 1261 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100000139337_100009814033 [1,1,0,0,0,0|2,0,0]=4 1262 B12R0.251 CC(=O)C(C)SCCCCCC=O 62a_100009814033_100000139337 [1,1,0,0,0,0|2,0,0]=4 1263 B12R0.251 CC(CNCCCCC=O)C(=O)O 269956a_100000749485_100000139335 [1,1,0,0,0,0|1,0,0]=3 1264 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [1,1,0,0,0,0|1,0,1]=4 1265 B12R0.251 CC(SCCCCCC=O)C(=O)N 62a_100000139337_100000702099 [1,1,0,0,0,0|2,0,0]=4 1266 B12R0.251 CC(SCCCCCC=O)C(=O)N 62a_100000702099_100000139337 [1,1,0,0,0,0|2,0,0]=4 1267 B12R0.251 C[C@@H](NCCCCCC=O)C(=O)N 2230a_100000119354_100000139337 [1,1,0,0,0,0|2,0,0]=4 1268 B12R0.251 C[C@@H](OCCCCCC=O)C(=O)N 7a_100000731257_100000139337 [1,1,0,0,0,0|2,0,0]=4 1269 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 269956a_100000743915_100000139337 [1,1,0,0,0,0|1,0,0]=3 1270 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [1,1,0,0,0,0|1,0,1]=4 1271 B12R0.251 C[C@H](OCCCCCC=O)C(=O)[O-] 7a_217856618621_100000139337 [1,1,0,0,0,0|1,0,1]=4 1272 B12R0.251 NC(=O)C(F)SCCCCCC=O 62a_100000139337_100009813875 [1,1,0,0,0,0|2,0,0]=4 1273 B12R0.251 NC(=O)C(F)SCCCCCC=O 62a_100009813875_100000139337 [1,1,0,0,0,0|2,0,0]=4 1274 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [1,1,0,0,0,0|1,0,1]=4 1275 B12R0.251 O=CCCCCCSC(F)C(=O)[O-] 62a_100000139337_100020610796 [1,1,0,0,0,0|1,0,1]=4 1276 B12R0.251 O=CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000139337 [1,1,0,0,0,0|1,0,1]=4 1277 B12R0.251 O=CCCCCNCC(F)C(=O)O 269956a_100000084737_100000139335 [1,1,0,0,0,0|1,0,0]=3 1278 B12R0.255 CN(CCCCC=O)CCC(=O)N 2230a_100000730477_100000139335 [1,1,0,0,0,0|2,0,0]=4 1279 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,1,0,0,1,0|2,0,0]=4 1280 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,1,0,0,1,0|2,0,0]=4 1281 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,1,0,0,1,0|2,0,0]=4 1282 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,1,0,0,1,0|2,0,0]=4 1283 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,1,0,0,1,0|2,0,0]=4 1284 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,1,0,0,1,0|2,0,0]=4 1285 B12R0.44 CN(CCCC(=O)O)CCC(=O)N 269956a_100000719178_100000744528 [0,1,0,0,1,0|2,0,0]=4 1286 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,1,0,0,1,0|2,0,0]=4 1287 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,1,0,0,1,0|2,0,0]=4 1288 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,1,0,0,1,0|2,0,0]=4 1289 B14R0.67 CC(=O)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000735457 [0,1,0,0,0,1|1,0,0]=3 1290 B14R0.67 CC(=O)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215641 [0,1,0,0,0,1|1,0,1]=4 1291 B14R0.67 CC(=O)OCCCN(C)CCCC(=O)O 269956a_100000719178_100000042594 [0,1,0,0,0,1|2,0,0]=4 1292 B14R0.67 CC(=O)SCCCN(C)CCCC(=O)O 269956a_100000719178_100000038929 [0,1,0,0,0,1|2,0,0]=4 1293 B14R0.67 CC(CCCC(=O)[O-])OCCCC(=O)N 7a_100000761597_100102525003 [0,1,0,0,0,1|1,0,1]=4 1294 B14R0.67 CN(CCCC(=O)O)CCOCC(=O)N 269956a_100000719178_100000076697 [0,1,0,0,0,1|2,0,0]=4 1295 B14R0.67 CN(CCCCB(O)O)CCCC(=O)O 269956a_100000719178_200009817182 [0,1,0,0,0,1|1,0,1]=4 1296 B14R0.305 C=C(Br)CCOCCCCCC(=O)OC 34a_100009813270_100009816466 [0,1,0,0,0,1|2,0,0]=4 1297 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000074720_100000730704 [0,1,0,0,0,1|2,0,0]=4 1298 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000764851_100009816466 [0,1,0,0,0,1|2,0,0]=4 1299 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 7a_100000074720_100000730704 [0,1,0,0,0,1|2,0,0]=4 1300 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100000730704_100009816466 [0,1,0,0,0,1|2,0,0]=4 1301 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100009816466_100000730704 [0,1,0,0,0,1|2,0,0]=4 1302 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100000210245_100009815986 [0,1,0,0,0,1|2,0,0]=4 1303 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100009863599_100000748629 [0,1,0,0,0,1|2,0,0]=4 1304 B14R0.305 C=C(C)COCCCCCCC(=O)OC 7a_100009863599_100000748629 [0,1,0,0,0,1|2,0,0]=4 1305 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100000748629_100009815986 [0,1,0,0,0,1|2,0,0]=4 1306 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100009815986_100000211660 [0,1,0,0,0,1|2,0,0]=4 1307 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_100009863599_100009893438 [0,1,0,0,0,1|2,0,0]=4 1308 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_200010262243_100009815986 [0,1,0,0,0,1|2,0,0]=4 1309 B14R0.305 C=C(F)COCCCCCCC(=O)OC 7a_100009863599_100000042424 [0,1,0,0,0,1|2,0,0]=4 1310 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100000042424_100009815986 [0,1,0,0,0,1|2,0,0]=4 1311 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100009815986_100000042424 [0,1,0,0,0,1|2,0,0]=4 1312 B14R0.305 CC(=O)CCCCOCCCC(=O)NN 34a_100000211488_100009817362 [0,1,0,0,0,1|2,0,0]=4 1313 B14R0.305 CC(=O)NCCCCCCNC(=O)CO 240690a_200011996284_100000210174 [0,1,0,0,0,1|2,0,0]=4 1314 B14R0.305 CC(=O)NCCCCCCNC(=O)CO 527a_200011996284_100000210174 [0,1,0,0,0,1|2,0,0]=4 1315 B14R0.305 CC(=O)SCCCCCCNC(=O)CO 240690a_100000704104_100000210174 [0,1,0,0,0,1|2,0,0]=4 1316 B14R0.305 CC(=O)SCCCCCCNC(=O)CO 527a_100000704104_100000210174 [0,1,0,0,0,1|2,0,0]=4 1317 B14R0.305 CNC(=O)CCCNCCCCC(=O)C 34a_100000740002_100009817362 [0,1,0,0,0,1|2,0,0]=4 1318 B14R0.305 CNC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000741757 [0,1,0,0,0,1|2,0,0]=4 1319 B14R0.305 CNC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100000741757 [0,1,0,0,0,1|2,0,0]=4 1320 B14R0.305 CNC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000741757 [0,1,0,0,0,1|2,0,0]=4 1321 B14R0.305 CNC(=O)CCCOCCCCC(=O)N 7a_100012022536_100000741757 [0,1,0,0,0,1|2,0,0]=4 1322 B14R0.305 CNC(=O)CCCSCCCCC(=O)C 62a_100000735457_100000741757 [0,1,0,0,0,1|2,0,0]=4 1323 B14R0.305 CNC(=O)CCCSCCCCC(=O)C 62a_100000741757_100000735457 [0,1,0,0,0,1|2,0,0]=4 1324 B14R0.305 CNC(=O)CCNCCCCCC(=O)N 2230a_100000738227_100009817443 [0,1,0,0,0,1|2,0,0]=4 1325 B14R0.305 CNC(=O)CCNCCCCCC(=O)N 34a_100000738227_100009817443 [0,1,0,0,0,1|2,0,0]=4 1326 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 34a_100000123541_100012179268 [0,1,0,0,0,1|2,0,0]=4 1327 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 34a_100000754576_100009817443 [0,1,0,0,0,1|2,0,0]=4 1328 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000737683 [0,1,0,0,0,1|2,0,0]=4 1329 B14R0.305 CNC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000737683 [0,1,0,0,0,1|1,0,1]=4 1330 B14R0.305 CNC(=O)CCSCCCCCC(=O)N 62a_100000737683_100009817443 [0,1,0,0,0,1|2,0,0]=4 1331 B14R0.305 CNC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000737683 [0,1,0,0,0,1|2,0,0]=4 1332 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,1,0,0,0,1|1,0,0]=3 1333 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,1,0,0,0,1|1,0,0]=3 1334 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,1,0,0,0,1|1,0,0]=3 1335 B14R0.305 COC(=O)CCCCCCCNC(=O)C 188690a_100000687944_100015343762 [0,1,0,0,0,1|1,0,0]=3 1336 B14R0.305 COC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009815986 [0,1,0,0,0,1|1,0,0]=3 1337 B14R0.305 COC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009815986 [0,1,0,0,0,1|0,0,0]=2 1338 B14R0.305 COC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009815986 [0,1,0,0,0,1|1,0,1]=4 1339 B14R0.305 COC(=O)CCCCCCNCC(C)O 34a_100000210904_100009815986 [0,1,0,0,0,1|1,0,1]=4 1340 B14R0.305 COC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009815986 [0,1,0,0,0,1|1,0,0]=3 1341 B14R0.305 COC(=O)CCCCCCOCC(=O)N 34a_100009863599_100000187820 [0,1,0,0,0,1|1,0,0]=3 1342 B14R0.305 COC(=O)CCCCCCOCC(=O)N 7a_100009863599_100000187820 [0,1,0,0,0,1|1,0,0]=3 1343 B14R0.305 COC(=O)CCCCCCOCC(=O)[O-] 34a_100009863599_100020667443 [0,1,0,0,0,1|0,0,1]=3 1344 B14R0.305 COC(=O)CCCCCCOCC(C)O 34a_100009863599_100011218427 [0,1,0,0,0,1|1,0,1]=4 1345 B14R0.305 COC(=O)CCCCCCOCC(C)O 7a_100009863599_100011218427 [0,1,0,0,0,1|1,0,1]=4 1346 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 34a_100009863599_100009817552 [0,1,0,0,0,1|1,0,1]=4 1347 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 7a_100009863599_100009817552 [0,1,0,0,0,1|1,0,1]=4 1348 B14R0.305 COC(=O)CCCCCCOC[N+](=O)[O-] 34a_100009863599_100000761209 [0,1,0,0,0,1|1,0,1]=4 1349 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009815986 [0,1,0,0,0,1|1,0,0]=3 1350 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100009815986_100000747473 [0,1,0,0,0,1|1,0,0]=3 1351 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100009815986_100020667443 [0,1,0,0,0,1|0,0,1]=3 1352 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009815986 [0,1,0,0,0,1|0,0,1]=3 1353 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100009815986_100011218427 [0,1,0,0,0,1|1,0,1]=4 1354 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100011218427_100009815986 [0,1,0,0,0,1|1,0,1]=4 1355 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009815986_100009817552 [0,1,0,0,0,1|1,0,1]=4 1356 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009815986 [0,1,0,0,0,1|1,0,1]=4 1357 B14R0.305 COC(=O)CCCCCCSC[N+](=O)[O-] 62a_100009815986_100000761209 [0,1,0,0,0,1|1,0,1]=4 1358 B14R0.305 COC(=O)CCCCCNCCC(C)O 2230a_200000755665_100009816466 [0,1,0,0,0,1|1,0,1]=4 1359 B14R0.305 COC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009816466 [0,1,0,0,0,1|1,0,0]=3 1360 B14R0.305 COC(=O)CCCCCOCCC(=O)C 34a_100000759926_100009816466 [0,1,0,0,0,1|1,0,0]=3 1361 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000074720_100000053229 [0,1,0,0,0,1|1,0,0]=3 1362 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000759926_100009816466 [0,1,0,0,0,1|1,0,0]=3 1363 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000074720_100000731001 [0,1,0,0,0,1|1,0,0]=3 1364 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009816466 [0,1,0,0,0,1|1,0,0]=3 1365 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000074720_100000744528 [0,1,0,0,0,1|1,0,0]=3 1366 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009816466 [0,1,0,0,0,1|1,0,0]=3 1367 B14R0.305 COC(=O)CCCCCOCCC(C)O 34a_100000074720_100012276601 [0,1,0,0,0,1|1,0,1]=4 1368 B14R0.305 COC(=O)CCCCCOCCC(C)O 7a_100000074720_100012276601 [0,1,0,0,0,1|1,0,1]=4 1369 B14R0.305 COC(=O)CCCCCOCOC(=O)C 34a_100000074720_100009813279 [0,1,0,0,0,1|2,0,0]=4 1370 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100000053229_100009816466 [0,1,0,0,0,1|1,0,0]=3 1371 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100009816466_100000053229 [0,1,0,0,0,1|1,0,0]=3 1372 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009816466 [0,1,0,0,0,1|1,0,0]=3 1373 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100009816466_100000744528 [0,1,0,0,0,1|1,0,0]=3 1374 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100009816466_100012276601 [0,1,0,0,0,1|1,0,1]=4 1375 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100012276601_100009816466 [0,1,0,0,0,1|1,0,1]=4 1376 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100000076356_100009816466 [0,1,0,0,0,1|2,0,0]=4 1377 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100009816466_100000076356 [0,1,0,0,0,1|2,0,0]=4 1378 B14R0.305 COC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000204269 [0,1,0,0,0,1|1,0,0]=3 1379 B14R0.305 COC(=O)CCCCNCCCS(=O)C 2230a_200000753449_100000204269 [0,1,0,0,0,1|2,0,0]=4 1380 B14R0.305 COC(=O)CCCCNCCNC(=O)C 2230a_100000209853_100000204269 [0,1,0,0,0,1|2,0,0]=4 1381 B14R0.305 COC(=O)CCCCNCCNC(=O)N 34a_100020590234_100000204269 [0,1,0,0,0,1|2,0,0]=4 1382 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000059025_100000685027 [0,1,0,0,0,1|1,0,0]=3 1383 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000204269 [0,1,0,0,0,1|1,0,0]=3 1384 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000059025_100011215641 [0,1,0,0,0,1|1,0,0]=3 1385 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000204269 [0,1,0,0,0,1|1,0,0]=3 1386 B14R0.305 COC(=O)CCCCOCCCC(=O)N 34a_100000059025_100102525003 [0,1,0,0,0,1|1,0,0]=3 1387 B14R0.305 COC(=O)CCCCOCCCC(=O)N 7a_100000059025_100102525003 [0,1,0,0,0,1|1,0,0]=3 1388 B14R0.305 COC(=O)CCCCOCCCC(C)O 34a_100000059025_200000718107 [0,1,0,0,0,1|1,0,1]=4 1389 B14R0.305 COC(=O)CCCCOCCCC(C)O 7a_100000059025_200000718107 [0,1,0,0,0,1|1,0,1]=4 1390 B14R0.305 COC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000204269 [0,1,0,0,0,1|1,0,1]=4 1391 B14R0.305 COC(=O)CCCCOCCNC(=O)C 34a_100000158858_100000204269 [0,1,0,0,0,1|2,0,0]=4 1392 B14R0.305 COC(=O)CCCCOCCNC(=O)C 7a_100000059025_100000189650 [0,1,0,0,0,1|2,0,0]=4 1393 B14R0.305 COC(=O)CCCCOCCNC(=O)N 34a_100000181757_100000204269 [0,1,0,0,0,1|2,0,0]=4 1394 B14R0.305 COC(=O)CCCCOCCNC(=O)N 7a_100000059025_200000034859 [0,1,0,0,0,1|2,0,0]=4 1395 B14R0.305 COC(=O)CCCCOCCOC(=O)C 34a_100000059025_100009814007 [0,1,0,0,0,1|2,0,0]=4 1396 B14R0.305 COC(=O)CCCCOCCOC(=O)C 7a_100000059025_100009814007 [0,1,0,0,0,1|2,0,0]=4 1397 B14R0.305 COC(=O)CCCCOCCOC(=O)N 34a_100000059025_200011214921 [0,1,0,0,0,1|2,0,0]=4 1398 B14R0.305 COC(=O)CCCCOCCOC(=O)N 7a_100000059025_200011214921 [0,1,0,0,0,1|2,0,0]=4 1399 B14R0.305 COC(=O)CCCCOCCOC(=O)N 7a_100000766696_100000204269 [0,1,0,0,0,1|2,0,0]=4 1400 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100000204269_100011215641 [0,1,0,0,0,1|1,0,0]=3 1401 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000204269 [0,1,0,0,0,1|1,0,0]=3 1402 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100000204269_100102525003 [0,1,0,0,0,1|1,0,0]=3 1403 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000204269 [0,1,0,0,0,1|1,0,0]=3 1404 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_100000204269_200000718107 [0,1,0,0,0,1|1,0,1]=4 1405 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_200000718107_100000204269 [0,1,0,0,0,1|1,0,1]=4 1406 B14R0.305 COC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000204269 [0,1,0,0,0,1|2,0,0]=4 1407 B14R0.305 COC(=O)CCCCSCCNC(=O)C 62a_100000204269_100000189650 [0,1,0,0,0,1|2,0,0]=4 1408 B14R0.305 COC(=O)CCCCSCCNC(=O)N 62a_100000204269_200000034859 [0,1,0,0,0,1|2,0,0]=4 1409 B14R0.305 COC(=O)CCCCSCCNC(=O)N 62a_200000034859_100000204269 [0,1,0,0,0,1|2,0,0]=4 1410 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100000204269_100009814007 [0,1,0,0,0,1|2,0,0]=4 1411 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000204269 [0,1,0,0,0,1|2,0,0]=4 1412 B14R0.305 COC(=O)CCCCSCCOC(=O)N 62a_100000204269_200011214921 [0,1,0,0,0,1|2,0,0]=4 1413 B14R0.305 COC(=O)CCCCSCCOC(=O)N 62a_200011214921_100000204269 [0,1,0,0,0,1|2,0,0]=4 1414 B14R0.305 COC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000742333 [0,1,0,0,0,1|1,0,0]=3 1415 B14R0.305 COC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000742333 [0,1,0,0,0,1|2,0,0]=4 1416 B14R0.305 COC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011218270 [0,1,0,0,0,1|1,0,0]=3 1417 B14R0.305 COC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000742333 [0,1,0,0,0,1|1,0,0]=3 1418 B14R0.305 COC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011218270 [0,1,0,0,0,1|1,0,0]=3 1419 B14R0.305 COC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000742333 [0,1,0,0,0,1|1,0,1]=4 1420 B14R0.305 COC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011218270 [0,1,0,0,0,1|1,0,1]=4 1421 B14R0.305 COC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000742333 [0,1,0,0,0,1|2,0,0]=4 1422 B14R0.305 COC(=O)CCCSCCCCB(O)O 62a_100011218270_200009817182 [0,1,0,0,0,1|1,0,1]=4 1423 B14R0.305 COC(=O)CCCSCCCCB(O)O 62a_200009817182_100011218270 [0,1,0,0,0,1|1,0,1]=4 1424 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100000735457_100011218270 [0,1,0,0,0,1|1,0,0]=3 1425 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100011218270_100000735457 [0,1,0,0,0,1|1,0,0]=3 1426 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011218270 [0,1,0,0,0,1|2,0,0]=4 1427 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100011218270_100000042594 [0,1,0,0,0,1|2,0,0]=4 1428 B14R0.305 COC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011218270 [0,1,0,0,0,1|2,0,0]=4 1429 B14R0.305 COC(=O)CCCSCCCSC(=O)C 62a_100011218270_100000038929 [0,1,0,0,0,1|2,0,0]=4 1430 B14R0.305 COC(=O)CCCSCCOCC(=O)N 62a_100000076697_100011218270 [0,1,0,0,0,1|2,0,0]=4 1431 B14R0.305 COC(=O)CCCSCCOCC(=O)N 62a_100011218270_100000076697 [0,1,0,0,0,1|2,0,0]=4 1432 B14R0.305 COC(=O)CCNCCCCNC(=O)C 2230a_200011368371_100000204255 [0,1,0,0,0,1|2,0,0]=4 1433 B14R0.305 COC(=O)CCNCCCCNC(=O)C 34a_200011368371_100000742370 [0,1,0,0,0,1|2,0,0]=4 1434 B14R0.305 COC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000742370 [0,1,0,0,0,1|1,0,0]=3 1435 B14R0.305 COC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000204255 [0,1,0,0,0,1|1,0,0]=3 1436 B14R0.305 COC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000204255 [0,1,0,0,0,1|0,0,1]=3 1437 B14R0.305 COC(=O)CCOCCCCOC(=O)C 34a_100000073216_100000742370 [0,1,0,0,0,1|2,0,0]=4 1438 B14R0.305 COC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000204255 [0,1,0,0,0,1|2,0,0]=4 1439 B14R0.305 COC(=O)CCOCCOCCC(=O)C 1458a_200020673210_200000210301 [0,1,0,0,0,1|2,0,0]=4 1440 B14R0.305 COC(=O)CCOCCOCCC(=O)[13CH3] 1458a_200020673210_200025704644 [0,1,0,0,0,1|2,0,0]=4 1441 B14R0.305 COC(=O)CCSCCCCCB(O)O 62a_100000204255_200009817188 [0,1,0,0,0,1|1,0,1]=4 1442 B14R0.305 COC(=O)CCSCCCCCB(O)O 62a_200009817188_100000204255 [0,1,0,0,0,1|1,0,1]=4 1443 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100000204255_100009817443 [0,1,0,0,0,1|1,0,0]=3 1444 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000204255 [0,1,0,0,0,1|1,0,0]=3 1445 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000204255 [0,1,0,0,0,1|2,0,0]=4 1446 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000204255_100000033659 [0,1,0,0,0,1|2,0,0]=4 1447 B14R0.305 COC(=O)CCSCCCCSC(=O)C 62a_100000204255_200010402107 [0,1,0,0,0,1|2,0,0]=4 1448 B14R0.305 COC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000204255 [0,1,0,0,0,1|2,0,0]=4 1449 B14R0.305 COC(=O)CNCCCCCNC(=O)C 2230a_200012022750_100000747449 [0,1,0,0,0,1|2,0,0]=4 1450 B14R0.305 COC(=O)CNCCCCCNC(=O)C 34a_200012022750_100000747449 [0,1,0,0,0,1|2,0,0]=4 1451 B14R0.305 COC(=O)COCCNCCCC(=O)N 34a_100000739312_100000090808 [0,1,0,0,0,1|2,0,0]=4 1452 B14R0.305 COC(=O)COCCOCCCC(=O)C 34a_100000759063_100000090808 [0,1,0,0,0,1|2,0,0]=4 1453 B14R0.305 COC(=O)COCCOCCCC(=O)C 7a_100000759063_100000090808 [0,1,0,0,0,1|2,0,0]=4 1454 B14R0.305 COC(=O)COCCSCCCC(=O)C 62a_100000090808_100011215641 [0,1,0,0,0,1|2,0,0]=4 1455 B14R0.305 COC(=O)COCCSCCCC(=O)C 62a_100011215641_100000090808 [0,1,0,0,0,1|2,0,0]=4 1456 B14R0.305 COC(=O)COCCSCCCC(=O)N 62a_100000090808_100102525003 [0,1,0,0,0,1|2,0,0]=4 1457 B14R0.305 COC(=O)COCCSCCCC(=O)N 62a_100102525003_100000090808 [0,1,0,0,0,1|2,0,0]=4 1458 B14R0.305 COC(=O)CSCCCCCCB(O)O 62a_100000747449_100009817187 [0,1,0,0,0,1|1,0,1]=4 1459 B14R0.305 COC(=O)CSCCCCCCB(O)O 62a_100009817187_100000747449 [0,1,0,0,0,1|1,0,1]=4 1460 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747449 [0,1,0,0,0,1|2,0,0]=4 1461 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000747449_100000033007 [0,1,0,0,0,1|2,0,0]=4 1462 B14R0.305 COC(=O)NCCOCCCCC(=O)C 34a_100000757965_100009817362 [0,1,0,0,0,1|2,0,0]=4 1463 B14R0.305 COC(=O)OCCOCCCCC(=O)C 34a_100010262106_100009817362 [0,1,0,0,0,1|2,0,0]=4 1464 B14R0.305 COC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000139417 [0,1,0,0,0,1|2,0,0]=4 1465 B14R0.305 NC(=O)CCCCCOCCC(=NO)N 34a_100000749954_100009817443 [0,1,0,0,0,1|2,0,0]=4 1466 B14R0.427 CC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000735457 [0,1,0,0,0,1|1,0,0]=3 1467 B14R0.427 CC(=O)OCCCCCN(C)CC(=O)O 269956a_100000746989_100000033007 [0,1,0,0,0,1|2,0,0]=4 1468 B14R0.427 CC(=O)OCCCNCC(O)CC(=O)O 269956a_100011218706_100000042594 [0,1,0,0,0,1|2,0,0]=4 1469 B14R0.427 CC(=O)SCCCNCC(O)CC(=O)O 269956a_100011218706_100000038929 [0,1,0,0,0,1|2,0,0]=4 1470 B14R0.427 CN(CCCCCCB(O)O)CC(=O)O 269956a_100000746989_100009817187 [0,1,0,0,0,1|1,0,1]=4 1471 B14R0.427 NC(=O)COCCNCC(O)CC(=O)O 269956a_100011218706_100000076697 [0,1,0,0,0,1|2,0,0]=4 1472 B14R0.427 O=C(O)CC(O)CNCCCCB(O)O 269956a_100011218706_200009817182 [0,1,0,0,0,1|1,0,1]=4 1473 B14R0.549 CC(=O)C(C)COCCCCCC(=O)N 34a_100000032740_100009817443 [0,1,0,0,0,1|2,0,0]=4 1474 B14R0.549 CC(=O)C(C)COCCCCCC(=O)N 7a_100000032740_100009817443 [0,1,0,0,0,1|2,0,0]=4 1475 B14R0.549 CC(=O)OCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000033007 [0,1,0,0,0,1|2,0,0]=4 1476 B14R0.549 CC(=O)OCCCCNCC(C)C(=O)O 269956a_100000749485_100000033659 [0,1,0,0,0,1|2,0,0]=4 1477 B14R0.549 CC(=O)OCCCCNCC(F)C(=O)O 269956a_100000084737_100000033659 [0,1,0,0,0,1|2,0,0]=4 1478 B14R0.549 CC(=O)SCCCCNCC(C)C(=O)O 269956a_100000749485_200010402107 [0,1,0,0,0,1|2,0,0]=4 1479 B14R0.549 CC(=O)SCCCCNCC(F)C(=O)O 269956a_100000084737_200010402107 [0,1,0,0,0,1|2,0,0]=4 1480 B14R0.549 CC(CNCCCCCB(O)O)C(=O)O 269956a_100000749485_200009817188 [0,1,0,0,0,1|1,0,1]=4 1481 B14R0.549 CC(CNCCCCCC(=O)N)C(=O)O 269956a_100000749485_100009817443 [0,1,0,0,0,1|1,0,0]=3 1482 B14R0.549 C[C@H](NCCCCCCB(O)O)C(=O)O 269956a_100000743915_100009817187 [0,1,0,0,0,1|1,0,1]=4 1483 B14R0.549 NC(=O)CCCCCNCC(F)C(=O)O 269956a_100000084737_100009817443 [0,1,0,0,0,1|1,0,0]=3 1484 B14R0.549 NC(=O)CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100009817443 [0,1,0,0,0,1|2,0,0]=4 1485 B14R0.549 O=C(O)C(F)CNCCCCCB(O)O 269956a_100000084737_200009817188 [0,1,0,0,0,1|1,0,1]=4 1486 B14R0.551 CN(CCCCCC(=O)N)CCC(=O)N 2230a_100000730477_100009817443 [0,1,0,0,0,1|2,0,0]=4 1487 B14R0.551 NC(=O)CCCCCC(=O)CCC(=O)N 1458a_100011215257_100009817443 [0,1,0,0,0,1|2,0,0]=4 1488 B14R0.101 COC(=O)CC(=O)CCCCCC(=O)N 1458a_100000211351_100009817443 [0,2,0,0,0,0|1,0,1]=4 1489 B14R0.101 COC(=O)CC(C)NCCCCC(=O)N 34a_100000696515_100009817358 [0,2,0,0,0,0|2,0,0]=4 1490 B14R0.101 COC(=O)CC(C)NCCOCC(=O)O 269956a_100000700818_100009817358 [0,2,0,0,0,0|2,0,0]=4 1491 B14R0.101 COC(=O)CC(C)OCCCCC(=O)N 34a_100012022536_100009817358 [0,2,0,0,0,0|2,0,0]=4 1492 B14R0.101 COC(=O)CC(C)OCCCCC(=O)N 7a_100012022536_100009817358 [0,2,0,0,0,0|2,0,0]=4 1493 B14R0.101 COC(=O)CC(C)SCCCCC(=O)C 62a_100000735457_100009817358 [0,2,0,0,0,0|2,0,0]=4 1494 B14R0.101 COC(=O)CC(C)SCCCCC(=O)C 62a_100009817358_100000735457 [0,2,0,0,0,0|2,0,0]=4 1495 B14R0.101 COC(=O)CN(C)CCCCCC(=O)N 2230a_100000198492_100009817443 [0,2,0,0,0,0|2,0,0]=4 1496 B14R0.101 COC(=O)C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100000754131 [0,2,0,0,0,0|2,0,0]=4 1497 B14R0.101 COC(=O)C[C@@H](O)COCCCC(=O)C 34a_100000759063_100000754131 [0,2,0,0,0,0|2,0,0]=4 1498 B14R0.101 COC(=O)C[C@@H](O)COCCCC(=O)C 7a_100000759063_100000754131 [0,2,0,0,0,0|2,0,0]=4 1499 B14R0.101 COC(=O)C[C@@H](O)CSCCCC(=O)C 62a_100000754131_100011215641 [0,2,0,0,0,0|2,0,0]=4 1500 B14R0.101 COC(=O)C[C@@H](O)CSCCCC(=O)C 62a_100011215641_100000754131 [0,2,0,0,0,0|2,0,0]=4 1501 B14R0.101 COC(=O)C[C@@H](O)CSCCCC(=O)N 62a_100000754131_100102525003 [0,2,0,0,0,0|2,0,0]=4 1502 B14R0.101 COC(=O)C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100000754131 [0,2,0,0,0,0|2,0,0]=4 1503 B14R0.221 CC(C(=O)O)N(C)CCCCCC(=O)N 269956a_100000749554_100009817443 [0,2,0,0,0,0|2,0,0]=4 1504 B14R0.309 CNC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100000741757 [0,2,0,0,0,0|2,0,0]=4 1505 B14R0.309 COC(=O)CCCCCC(=O)CC(=O)N 1458a_100009848860_100000187820 [0,2,0,0,0,0|1,0,1]=4 1506 B14R0.309 COC(=O)CCCCCC(=O)CC(=O)N 1458a_100134613110_100009816466 [0,2,0,0,0,0|1,0,1]=4 1507 B14R0.309 COC(=O)CCCCCC(=O)CC(=O)[O-] 1458a_100009848860_100020667443 [0,2,0,0,0,0|0,0,2]=4 1508 B14R0.309 COC(=O)CCCCCN(C)CC(=O)N 2230a_100000739694_100009816466 [0,2,0,0,0,0|2,0,0]=4 1509 B14R0.309 COC(=O)CCCCCN(C)CC(=O)O 269956a_100000746989_100009816466 [0,2,0,0,0,0|1,0,0]=3 1510 B14R0.309 COC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011218270 [0,2,0,0,0,0|1,0,0]=3 1511 B14R0.422 CC(=O)CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000735457 [0,2,0,0,0,0|2,0,0]=4 1512 B14R0.422 CCN(CCCCCC(=O)N)CC(=O)O 269956a_100000746405_100009817443 [0,2,0,0,0,0|2,0,0]=4 1513 B14R0.422 CC[C@H](CC(=O)O)NCCCCC(=O)C 269956a_100016995926_100000735457 [0,2,0,0,0,0|2,0,0]=4 1514 B14R0.937 CC(=O)CCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000735457 [0,2,0,0,0,0|2,0,0]=4 1515 B14R0.131 COC(=O)C(C)CCNCCCC(=O)N 34a_100000739312_100000034942 [0,2,0,0,0,0|2,0,0]=4 1516 B14R0.131 COC(=O)C(C)CCOCCCC(=O)C 34a_100000759063_100000034942 [0,2,0,0,0,0|2,0,0]=4 1517 B14R0.131 COC(=O)C(C)CCOCCCC(=O)C 7a_100000759063_100000034942 [0,2,0,0,0,0|2,0,0]=4 1518 B14R0.131 COC(=O)C(C)CCSCCCC(=O)C 62a_100000034942_100011215641 [0,2,0,0,0,0|2,0,0]=4 1519 B14R0.131 COC(=O)C(C)CCSCCCC(=O)C 62a_100011215641_100000034942 [0,2,0,0,0,0|2,0,0]=4 1520 B14R0.131 COC(=O)C(C)CCSCCCC(=O)N 62a_100000034942_100102525003 [0,2,0,0,0,0|2,0,0]=4 1521 B14R0.131 COC(=O)C(C)CCSCCCC(=O)N 62a_100102525003_100000034942 [0,2,0,0,0,0|2,0,0]=4 1522 B14R0.131 COC(=O)C(C)CNCCCCC(=O)N 34a_100000696515_100000698445 [0,2,0,0,0,0|2,0,0]=4 1523 B14R0.131 COC(=O)C(C)COCCCCC(=O)C 34a_100000749362_100009817362 [0,2,0,0,0,0|2,0,0]=4 1524 B14R0.131 COC(=O)C(C)COCCCCC(=O)C 7a_100000749362_100000735457 [0,2,0,0,0,0|2,0,0]=4 1525 B14R0.131 COC(=O)C(C)COCCCCC(=O)N 34a_100012022536_100000698445 [0,2,0,0,0,0|2,0,0]=4 1526 B14R0.131 COC(=O)C(C)CSCCCCC(=O)C 62a_100000698445_100000735457 [0,2,0,0,0,0|2,0,0]=4 1527 B14R0.131 COC(=O)C(C)CSCCCCC(=O)C 62a_100000735457_100000698445 [0,2,0,0,0,0|2,0,0]=4 1528 B14R0.131 COC(=O)C(C)OCCCCCC(=O)N 34a_100000123541_100000211248 [0,2,0,0,0,0|2,0,0]=4 1529 B14R0.131 COC(=O)C(C)OCCCCCC(=O)N 34a_100011215400_100009817443 [0,2,0,0,0,0|2,0,0]=4 1530 B14R0.131 COC(=O)C(C)OCCCCCC(=O)N 7a_100000123541_100000211248 [0,2,0,0,0,0|2,0,0]=4 1531 B14R0.131 COC(=O)C(C)OCCCCCC(=O)[O-] 7a_100102619762_100000211248 [0,2,0,0,0,0|1,0,1]=4 1532 B14R0.131 COC(=O)C(C)SCCCCCC(=O)N 62a_100000211248_100009817443 [0,2,0,0,0,0|2,0,0]=4 1533 B14R0.131 COC(=O)C(C)SCCCCCC(=O)N 62a_100009817443_100000211248 [0,2,0,0,0,0|2,0,0]=4 1534 B14R0.131 COC(=O)C(F)COCCCCC(=O)C 34a_200009849844_100009817362 [0,2,0,0,0,0|2,0,0]=4 1535 B14R0.131 COC(=O)[C@H](N)COCCCCC(=O)C 34a_100000003586_100009817362 [0,2,0,0,0,0|2,0,0]=4 1536 B14R0.534 COC(=O)CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009816466 [0,2,0,0,0,0|1,0,0]=3 1537 B14R0.534 COC(=O)CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100009816466 [0,2,0,0,0,0|2,0,0]=4 1538 B14R0.534 COC(=O)CCCCCN[C@H](C)C(=O)N 34a_100000119354_100009816466 [0,2,0,0,0,0|2,0,0]=4 1539 B14R0.534 COC(=O)CCCCCOC(C)C(=O)C 34a_100000212229_100009816466 [0,2,0,0,0,0|2,0,0]=4 1540 B14R0.534 COC(=O)CCCCCOC(C)C(=O)C 7a_100000074720_100000179758 [0,2,0,0,0,0|2,0,0]=4 1541 B14R0.534 COC(=O)CCCCCOC(C)C(=O)N 34a_100000074720_100000702099 [0,2,0,0,0,0|2,0,0]=4 1542 B14R0.534 COC(=O)CCCCCOC(C)C(=O)N 7a_100000074720_100000702099 [0,2,0,0,0,0|2,0,0]=4 1543 B14R0.534 COC(=O)CCCCCOC(F)C(=O)N 34a_100000074720_100009813875 [0,2,0,0,0,0|2,0,0]=4 1544 B14R0.534 COC(=O)CCCCCOC(F)C(=O)N 7a_100000074720_100009813875 [0,2,0,0,0,0|2,0,0]=4 1545 B14R0.534 COC(=O)CCCCCOC(F)C(=O)[O-] 34a_100000074720_100020610796 [0,2,0,0,0,0|1,0,1]=4 1546 B14R0.534 COC(=O)CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816466 [0,2,0,0,0,0|1,0,1]=4 1547 B14R0.534 COC(=O)CCCCCO[C@H](C)C(=O)N 34a_100000731257_100009816466 [0,2,0,0,0,0|2,0,0]=4 1548 B14R0.534 COC(=O)CCCCCO[C@H](C)C(=O)N 7a_100000731257_100009816466 [0,2,0,0,0,0|2,0,0]=4 1549 B14R0.534 COC(=O)CCCCCSC(C)C(=O)C 62a_100009814033_100009816466 [0,2,0,0,0,0|2,0,0]=4 1550 B14R0.534 COC(=O)CCCCCSC(C)C(=O)C 62a_100009816466_100009814033 [0,2,0,0,0,0|2,0,0]=4 1551 B14R0.534 COC(=O)CCCCCSC(C)C(=O)N 62a_100000702099_100009816466 [0,2,0,0,0,0|2,0,0]=4 1552 B14R0.534 COC(=O)CCCCCSC(C)C(=O)N 62a_100009816466_100000702099 [0,2,0,0,0,0|2,0,0]=4 1553 B14R0.534 COC(=O)CCCCCSC(F)C(=O)N 62a_100009813875_100009816466 [0,2,0,0,0,0|2,0,0]=4 1554 B14R0.534 COC(=O)CCCCCSC(F)C(=O)N 62a_100009816466_100009813875 [0,2,0,0,0,0|2,0,0]=4 1555 B14R0.534 COC(=O)CCCCCSC(F)C(=O)[O-] 62a_100009816466_100020610796 [0,2,0,0,0,0|1,0,1]=4 1556 B14R0.534 COC(=O)CCCCCSC(F)C(=O)[O-] 62a_100020610796_100009816466 [0,2,0,0,0,0|1,0,1]=4 1557 B14R0.534 COC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000204269 [0,2,0,0,0,0|1,0,0]=3 1558 B14R0.534 COC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000204269 [0,2,0,0,0,0|1,0,0]=3 1559 B14R0.534 COC(=O)CCCCOCC(C)C(=O)C 34a_100000032740_100000204269 [0,2,0,0,0,0|2,0,0]=4 1560 B14R0.534 COC(=O)CCCCOCC(C)C(=O)C 7a_100000032740_100000204269 [0,2,0,0,0,0|2,0,0]=4 1561 B14R0.534 COC(=O)CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000204269 [0,2,0,0,0,0|2,0,0]=4 1562 B14R0.2311 C=C[C@H](NCCCCCC(=O)N)C(=O)O 269956a_100016992060_100009817443 [0,2,0,0,0,0|2,0,0]=4 1563 B14R0.2311 CC[C@@H](NCCCCCC(=O)N)C(=O)O 269956a_100000747097_100009817443 [0,2,0,0,0,0|2,0,0]=4 1564 B14R0.2311 NC(=O)CCCCCNC(CO)C(=O)O 269956a_100000187304_100009817443 [0,2,0,0,0,0|2,0,0]=4 1565 B14R0.2674 CC(=O)CCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000735457 [0,2,0,0,0,0|2,0,0]=4 1566 B14R0.2674 CC(=O)CCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000735457 [0,2,0,0,0,0|2,0,0]=4 1567 B14R0.195 COC(=O)CCCCC(=O)CCC(=O)N 1458a_100011215257_100000204269 [0,2,0,0,0,0|1,0,1]=4 1568 B14R0.195 COC(=O)CCCCN(C)CCC(=O)N 2230a_100000730477_100000204269 [0,2,0,0,0,0|2,0,0]=4 1569 B14R0.1749 COC(=O)CCC(=O)CCCCC(=O)C 1458a_100000187943_100000735457 [0,2,0,0,0,0|1,0,1]=4 1570 B14R0.1749 COC(=O)CCN(C)CCCCC(=O)C 269982a_100025711912_100000735457 [0,2,0,0,0,0|2,0,0]=4 1571 B14R0.197 C#CC(=O)CCCCCCCC(=O)OC 1458a_100000211873_100010004213 [0,2,0,0,0,0|1,0,0]=3 1572 B14R0.197 C=CC(=O)CCCCCCCC(=O)OC 1458a_100000185746_100010004213 [0,2,0,0,0,0|1,0,0]=3 1573 B14R0.197 C=CC(=O)OCCCCCCC(=O)CO 1458a_100000210174_100009894100 [0,2,0,0,0,0|2,0,0]=4 1574 B14R0.197 CCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210202 [0,2,0,0,0,0|1,0,0]=3 1575 B14R0.197 CCC(=O)CCCCCCCC(=O)OC 1458a_100000210414_100010004213 [0,2,0,0,0,0|1,0,0]=3 1576 B14R0.197 CCC(=O)COCCCCCC(=O)OC 34a_100000725409_100009816466 [0,2,0,0,0,0|2,0,0]=4 1577 B14R0.197 CCC(=O)COCCCCCC(=O)OC 7a_100000074720_100000747405 [0,2,0,0,0,0|2,0,0]=4 1578 B14R0.197 CCC(=O)CSCCCCCC(=O)OC 62a_100000747405_100009816466 [0,2,0,0,0,0|2,0,0]=4 1579 B14R0.197 CCC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000747405 [0,2,0,0,0,0|2,0,0]=4 1580 B14R0.197 CCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000210414 [0,2,0,0,0,0|2,0,0]=4 1581 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 11a_106832991635_100000033222 [0,2,0,0,0,0|1,0,0]=3 1582 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 1626a_100102657272_100000033222 [0,2,0,0,0,0|1,0,0]=3 1583 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 240690a_100102657272_100000033222 [0,2,0,0,0,0|1,0,0]=3 1584 B14R0.197 CNC(=O)CCCNCCCC(=O)OC 2230a_100000740002_100011218270 [0,2,0,0,0,0|2,0,0]=4 1585 B14R0.197 CNC(=O)CCCNCCCC(=O)OC 34a_100000740002_100000742333 [0,2,0,0,0,0|2,0,0]=4 1586 B14R0.197 CNC(=O)CCCSCCCC(=O)OC 62a_100000741757_100011218270 [0,2,0,0,0,0|2,0,0]=4 1587 B14R0.197 CNC(=O)CCCSCCCC(=O)OC 62a_100011218270_100000741757 [0,2,0,0,0,0|2,0,0]=4 1588 B14R0.197 CNC(=O)CCNCCCCC(=O)OC 2230a_100000738227_100000204269 [0,2,0,0,0,0|2,0,0]=4 1589 B14R0.197 CNC(=O)CCNCCCCC(=O)OC 34a_100000738227_100000204269 [0,2,0,0,0,0|2,0,0]=4 1590 B14R0.197 CNC(=O)CCOCCCCC(=O)OC 34a_100000059025_100012179268 [0,2,0,0,0,0|2,0,0]=4 1591 B14R0.197 CNC(=O)CCOCCCCC(=O)OC 34a_100000754576_100000204269 [0,2,0,0,0,0|2,0,0]=4 1592 B14R0.197 CNC(=O)CCOCCCCC(=O)OC 7a_100000059025_100000737683 [0,2,0,0,0,0|2,0,0]=4 1593 B14R0.197 CNC(=O)CCSCCCCC(=O)OC 62a_100000204269_100000737683 [0,2,0,0,0,0|2,0,0]=4 1594 B14R0.197 CNC(=O)CCSCCCCC(=O)OC 62a_100000737683_100000204269 [0,2,0,0,0,0|2,0,0]=4 1595 B14R0.197 CNC(=O)CNCCCCCC(=O)OC 2230a_100000693194_100009816466 [0,2,0,0,0,0|2,0,0]=4 1596 B14R0.197 CNC(=O)COCCCCCC(=O)OC 34a_100000074720_100000183359 [0,2,0,0,0,0|2,0,0]=4 1597 B14R0.197 CNC(=O)COCCCCCC(=O)OC 34a_100000750040_100009816466 [0,2,0,0,0,0|2,0,0]=4 1598 B14R0.197 CNC(=O)COCCCCCC(=O)OC 7a_100000074720_100000183359 [0,2,0,0,0,0|2,0,0]=4 1599 B14R0.197 CNC(=O)CSCCCCCC(=O)OC 62a_100000183359_100009816466 [0,2,0,0,0,0|2,0,0]=4 1600 B14R0.197 CNC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000183359 [0,2,0,0,0,0|2,0,0]=4 1601 B14R0.197 COC(=O)CCCCCCCC(=O)CF 1458a_100000033222_100015361967 [0,2,0,0,0,0|1,0,0]=3 1602 B14R0.197 COC(=O)CCCCCCCC(=O)CO 1458a_100000210174_100010004213 [0,2,0,0,0,0|0,0,0]=2 1603 B14R0.197 COC(=O)CCCCCCNC(=O)CO 188690a_100000739044_100000210174 [0,2,0,0,0,0|1,0,0]=3 1604 B14R0.197 COC(=O)CCCCCOCC(=O)OC 34a_100000074720_100000747449 [0,2,0,0,0,0|1,0,0]=3 1605 B14R0.197 COC(=O)CCCCCOCC(=O)OC 7a_100000074720_100000747449 [0,2,0,0,0,0|1,0,0]=3 1606 B14R0.197 COC(=O)CCCCCSCC(=O)OC 62a_100000747449_100009816466 [0,2,0,0,0,0|1,0,0]=3 1607 B14R0.197 COC(=O)CCCCCSCC(=O)OC 62a_100009816466_100000747449 [0,2,0,0,0,0|1,0,0]=3 1608 B14R0.197 COC(=O)CCCCOCCC(=NO)N 34a_100000749954_100000204269 [0,2,0,0,0,0|2,0,0]=4 1609 B14R0.197 COC(=O)CCCCOCCC(=O)OC 34a_100000059025_100000742370 [0,2,0,0,0,0|1,0,0]=3 1610 B14R0.197 COC(=O)CCCCOCCC(=O)OC 7a_100000059025_100000204255 [0,2,0,0,0,0|1,0,0]=3 1611 B14R0.197 COC(=O)CCCCSCCC(=O)OC 62a_100000204255_100000204269 [0,2,0,0,0,0|1,0,0]=3 1612 B14R0.197 COC(=O)CCCCSCCC(=O)OC 62a_100000204269_100000204255 [0,2,0,0,0,0|1,0,0]=3 1613 B14R0.197 COC(=O)CCCCSCOC(=O)OC 62a_100000204269_100000139417 [0,2,0,0,0,0|2,0,0]=4 1614 B14R0.197 COC(=O)CCCOCCCC(=O)NN 34a_100000211488_100000742333 [0,2,0,0,0,0|2,0,0]=4 1615 B14R0.197 COC(=O)CCCOCCNC(=O)OC 34a_100000757965_100000742333 [0,2,0,0,0,0|2,0,0]=4 1616 B14R0.197 COC(=O)CCCOCCOC(=O)OC 34a_100010262106_100000742333 [0,2,0,0,0,0|2,0,0]=4 1617 B14R0.197 COC(=O)CCCSCCCC(=O)OC 62a_100011218270_100011218270 [0,2,0,0,0,0|1,0,0]=3 1618 B14R0.197 COC(=O)CCSCCOCC(=O)OC 62a_100000090808_100000204255 [0,2,0,0,0,0|2,0,0]=4 1619 B14R0.197 COC(=O)CCSCCOCC(=O)OC 62a_100000204255_100000090808 [0,2,0,0,0,0|2,0,0]=4 1620 B14R0.304 CNC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100000741757 [0,2,0,0,0,0|2,0,0]=4 1621 B14R0.304 COC(=O)CCCC(=O)CCCC(=O)C 1458a_100000239890_100011215641 [0,2,0,0,0,0|1,0,1]=4 1622 B14R0.304 COC(=O)CCCC(=O)CCCC(=O)N 1458a_100000239890_100102525003 [0,2,0,0,0,0|1,0,1]=4 1623 B14R0.304 COC(=O)CCCN(C)CCCC(=O)C 269982a_100000739225_100011215641 [0,2,0,0,0,0|2,0,0]=4 1624 B14R0.304 COC(=O)CCCN(C)CCCC(=O)N 269982a_100000739225_100102525003 [0,2,0,0,0,0|2,0,0]=4 1625 B14R0.304 COC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011218270 [0,2,0,0,0,0|1,0,0]=3 1626 B14R0.304 COC(=O)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000204255 [0,2,0,0,0,0|1,0,1]=4 1627 B14R0.432 C=COC(=O)COCCCCCC(=O)N 34a_100000123541_100000036128 [0,2,0,0,0,0|2,0,0]=4 1628 B14R0.432 C=COC(=O)CSCCCCCC(=O)N 62a_100000036128_100009817443 [0,2,0,0,0,0|2,0,0]=4 1629 B14R0.432 C=COC(=O)CSCCCCCC(=O)N 62a_100009817443_100000036128 [0,2,0,0,0,0|2,0,0]=4 1630 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,2,0,0,0,0|1,0,0]=3 1631 B14R0.432 CCOC(=O)CCCCCCNC(=O)C 188690a_100000741137_100015343762 [0,2,0,0,0,0|2,0,0]=4 1632 B14R0.432 CCOC(=O)CCCCCNCC(=O)N 2230a_100000711301_100000755133 [0,2,0,0,0,0|2,0,0]=4 1633 B14R0.432 CCOC(=O)CCCCCNCC(=O)O 269956a_100016091260_100000755133 [0,2,0,0,0,0|1,0,0]=3 1634 B14R0.432 CCOC(=O)CCCCCOCC(=O)C 34a_100000211253_100000755133 [0,2,0,0,0,0|2,0,0]=4 1635 B14R0.432 CCOC(=O)CCCCCOCC(=O)N 7a_100011214988_100000187820 [0,2,0,0,0,0|2,0,0]=4 1636 B14R0.432 CCOC(=O)CCCCCSCC(=O)N 62a_100000747473_100000755133 [0,2,0,0,0,0|2,0,0]=4 1637 B14R0.432 CCOC(=O)CCCCCSCC(=O)N 62a_100000755133_100000747473 [0,2,0,0,0,0|2,0,0]=4 1638 B14R0.432 CCOC(=O)CCCCCSCC(=O)[O-] 62a_100000755133_100020667443 [0,2,0,0,0,0|1,0,1]=4 1639 B14R0.432 CCOC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100000755133 [0,2,0,0,0,0|1,0,1]=4 1640 B14R0.432 CCOC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000750268 [0,2,0,0,0,0|2,0,0]=4 1641 B14R0.432 CCOC(=O)CCCCOCCC(=O)C 34a_100000759926_100000750268 [0,2,0,0,0,0|2,0,0]=4 1642 B14R0.432 CCOC(=O)CCCCOCCC(=O)C 7a_100000759926_100000750268 [0,2,0,0,0,0|2,0,0]=4 1643 B14R0.432 CCOC(=O)CCCCOCCC(=O)N 34a_100000757172_100000750268 [0,2,0,0,0,0|2,0,0]=4 1644 B14R0.432 CCOC(=O)CCCCOCCC(=O)N 7a_100000757172_100000750268 [0,2,0,0,0,0|2,0,0]=4 1645 B14R0.432 CCOC(=O)CCCCSCCC(=O)C 62a_100000053229_100000750268 [0,2,0,0,0,0|2,0,0]=4 1646 B14R0.432 CCOC(=O)CCCCSCCC(=O)C 62a_100000750268_100000053229 [0,2,0,0,0,0|2,0,0]=4 1647 B14R0.432 CCOC(=O)CCCCSCCC(=O)N 62a_100000744528_100000750268 [0,2,0,0,0,0|2,0,0]=4 1648 B14R0.432 CCOC(=O)CCCCSCCC(=O)N 62a_100000750268_100000744528 [0,2,0,0,0,0|2,0,0]=4 1649 B14R0.432 CCOC(=O)CCCNCCCC(=O)N 34a_100000739312_100009991533 [0,2,0,0,0,0|2,0,0]=4 1650 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 34a_100000759063_100009991533 [0,2,0,0,0,0|2,0,0]=4 1651 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215271 [0,2,0,0,0,0|2,0,0]=4 1652 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100012001163_100011215641 [0,2,0,0,0,0|2,0,0]=4 1653 B14R0.432 CCOC(=O)CCCOCCCC(=O)N 7a_100012001163_100102525003 [0,2,0,0,0,0|2,0,0]=4 1654 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100009991533_100011215641 [0,2,0,0,0,0|2,0,0]=4 1655 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100011215641_100009991533 [0,2,0,0,0,0|2,0,0]=4 1656 B14R0.432 CCOC(=O)CCCSCCCC(=O)N 62a_100009991533_100102525003 [0,2,0,0,0,0|2,0,0]=4 1657 B14R0.432 CCOC(=O)CCCSCCCC(=O)N 62a_100102525003_100009991533 [0,2,0,0,0,0|2,0,0]=4 1658 B14R0.432 CCOC(=O)CCNCCCCC(=O)N 34a_100000696515_100000765890 [0,2,0,0,0,0|2,0,0]=4 1659 B14R0.432 CCOC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000765890 [0,2,0,0,0,0|2,0,0]=4 1660 B14R0.432 CCOC(=O)CCOCCCCC(=O)N 34a_100012022536_100000765890 [0,2,0,0,0,0|2,0,0]=4 1661 B14R0.432 CCOC(=O)CCOCCCCC(=O)N 7a_100012022536_100011206558 [0,2,0,0,0,0|2,0,0]=4 1662 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000735457_100000765890 [0,2,0,0,0,0|2,0,0]=4 1663 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000765890_100000735457 [0,2,0,0,0,0|2,0,0]=4 1664 B14R0.432 CCOC(=O)COCCCCCC(=O)N 34a_100000123541_100000188475 [0,2,0,0,0,0|2,0,0]=4 1665 B14R0.432 CCOC(=O)COCCCCCC(=O)N 7a_100000123541_100000188475 [0,2,0,0,0,0|2,0,0]=4 1666 B14R0.432 CCOC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000188475 [0,2,0,0,0,0|1,0,1]=4 1667 B14R0.432 CCOC(=O)COCCCNCC(=O)O 269956a_100016091260_100009893628 [0,2,0,0,0,0|2,0,0]=4 1668 B14R0.432 CCOC(=O)CSCCCCCC(=O)N 62a_100000188475_100009817443 [0,2,0,0,0,0|2,0,0]=4 1669 B14R0.432 CCOC(=O)CSCCCCCC(=O)N 62a_100009817443_100000188475 [0,2,0,0,0,0|2,0,0]=4 1670 B14R0.432 NC(=O)CCCCCOCC(=O)NCO 34a_100000123541_100000185155 [0,2,0,0,0,0|2,0,0]=4 1671 B14R0.432 NC(=O)CCCCCOCC(=O)NCO 7a_100000123541_100000185155 [0,2,0,0,0,0|2,0,0]=4 1672 B14R0.432 NC(=O)CCCCCSCC(=O)NCO 62a_100000185155_100009817443 [0,2,0,0,0,0|2,0,0]=4 1673 B14R0.432 NC(=O)CCCCCSCC(=O)NCO 62a_100009817443_100000185155 [0,2,0,0,0,0|2,0,0]=4 1674 B14R0.432 O=C([O-])CCCCCOCC(=O)NCO 7a_100102619762_100000185155 [0,2,0,0,0,0|1,0,1]=4 1675 B12R1.7 O=CCCCSC1COC(=O)O1 62a_200011292268_100000032252 [1,0,0,1,0,0|2,0,0]=4 1676 B12R1.28 O=CCOCC1CCCC(=O)N1 34a_200000102386_200009817547 [1,0,0,1,0,0|2,0,0]=4 1677 B12R1.62 O=CCCCCSC1CC(=O)C1 62a_100009894365_100000139335 [1,0,0,1,0,0|2,0,0]=4 1678 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_100009874392_200011292268 [1,0,0,1,0,0|2,0,0]=4 1679 B12R1.62 O=CCCCSCC1CC(=O)C1 62a_200011292268_100009874392 [1,0,0,1,0,0|2,0,0]=4 1680 B12R1.125 CC(=O)CCN1CCCCC1=O 1458a_100011236303_200000210301 [1,0,0,1,0,0|2,0,0]=4 1681 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [1,0,0,1,0,0|2,0,0]=4 1682 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [1,0,0,1,0,0|2,0,0]=4 1683 B12R1.125 NC(=O)COC1CCCCC1=O 34a_100011214950_100000187820 [1,0,0,1,0,0|2,0,0]=4 1684 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000204591_100000747473 [1,0,0,1,0,0|2,0,0]=4 1685 B12R1.125 NC(=O)CSC1CCCCC1=O 62a_100000747473_100000204591 [1,0,0,1,0,0|2,0,0]=4 1686 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [1,0,0,1,0,0|1,0,0]=3 1687 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [1,0,0,1,0,0|1,0,1]=4 1688 B12R1.125 O=C(O)CNC1CCCNC1=O 269956a_100016091260_100000687798 [1,0,0,1,0,0|2,0,0]=4 1689 B12R1.125 O=C(O)CNC1COCCC1=O 269956a_100016091260_100012180262 [1,0,0,1,0,0|2,0,0]=4 1690 B12R1.125 O=C([O-])COC1CCCCC1=O 34a_100011214950_100020667443 [1,0,0,1,0,0|1,0,1]=4 1691 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100000204591_100020667443 [1,0,0,1,0,0|1,0,1]=4 1692 B12R1.125 O=C([O-])CSC1CCCCC1=O 62a_100020667443_100000204591 [1,0,0,1,0,0|1,0,1]=4 1693 B12R1.125 [13CH3]C(=O)CCN1CCCCC1=O 1458a_100011236303_200025704644 [1,0,0,1,0,0|2,0,0]=4 1694 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [1,0,0,1,0,0|2,0,0]=4 1695 B12R1.130 CC(=O)CCOC1CCCC1=O 34a_100000759926_100000709159 [1,0,0,1,0,0|2,0,0]=4 1696 B12R1.130 CC(=O)CCOC1CCCC1=O 7a_100000759926_100000211823 [1,0,0,1,0,0|2,0,0]=4 1697 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000053229_100000211823 [1,0,0,1,0,0|2,0,0]=4 1698 B12R1.130 CC(=O)CCSC1CCCC1=O 62a_100000211823_100000053229 [1,0,0,1,0,0|2,0,0]=4 1699 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_100000757172_100000709159 [1,0,0,1,0,0|2,0,0]=4 1700 B12R1.130 NC(=O)CCOC1CCCC1=O 34a_200000719330_100000731001 [1,0,0,1,0,0|2,0,0]=4 1701 B12R1.130 NC(=O)CCOC1CCCC1=O 7a_100000757172_100000211823 [1,0,0,1,0,0|2,0,0]=4 1702 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000211823_100000744528 [1,0,0,1,0,0|2,0,0]=4 1703 B12R1.130 NC(=O)CCSC1CCCC1=O 62a_100000744528_100000211823 [1,0,0,1,0,0|2,0,0]=4 1704 B12R1.130 O=C(O)CNCN1CCCC1=O 269956a_100016091260_100000026320 [1,0,0,1,0,0|2,0,0]=4 1705 B12R1.130 O=C(O)CONC1CCCC1=O 269956a_100000106656_100000211823 [1,0,0,1,0,0|2,0,0]=4 1706 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [1,0,0,1,0,0|2,0,0]=4 1707 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [1,0,0,1,0,0|2,0,0]=4 1708 B12R1.229 CC(=O)CCCOC1CCC1=O 34a_100000759063_100009892977 [1,0,0,1,0,0|2,0,0]=4 1709 B12R1.229 CC(=O)CCCOC1CCC1=O 7a_100000759063_100009892977 [1,0,0,1,0,0|2,0,0]=4 1710 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100009892977_100011215641 [1,0,0,1,0,0|2,0,0]=4 1711 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100011215641_100009892977 [1,0,0,1,0,0|2,0,0]=4 1712 B12R1.229 NC(=O)CCCNC1CCC1=O 34a_100000739312_100009892977 [1,0,0,1,0,0|2,0,0]=4 1713 B12R1.229 NC(=O)CCCSC1CCC1=O 62a_100009892977_100102525003 [1,0,0,1,0,0|2,0,0]=4 1714 B12R1.229 NC(=O)CCCSC1CCC1=O 62a_100102525003_100009892977 [1,0,0,1,0,0|2,0,0]=4 1715 B12R1.229 NC(=O)CNCCC1CCC1=O 2230a_100000711301_200016118888 [1,0,0,1,0,0|2,0,0]=4 1716 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_100000747473_200016118888 [1,0,0,1,0,0|2,0,0]=4 1717 B12R1.229 NC(=O)CSCCC1CCC1=O 62a_200016118888_100000747473 [1,0,0,1,0,0|2,0,0]=4 1718 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [1,0,0,1,0,0|1,0,0]=3 1719 B12R1.229 O=C([O-])CSCCC1CCC1=O 62a_100020667443_200016118888 [1,0,0,1,0,0|1,0,1]=4 1720 B12R1.229 O=C([O-])CSCCC1CCC1=O 62a_200016118888_100020667443 [1,0,0,1,0,0|1,0,1]=4 1721 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [1,0,0,1,0,0|1,0,1]=4 1722 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210623 [1,0,0,1,0,0|2,0,0]=4 1723 B12R1.283 NC(=O)C1CCCCN1CC=O 2230a_100000181395_200015260668 [1,0,0,1,0,0|2,0,0]=4 1724 B12R1.283 NC(=O)C1CCCCN1CC=O 269982a_100000181395_200015260668 [1,0,0,1,0,0|2,0,0]=4 1725 B12R1.283 NC(=O)C1CCCCN1CC=O 34a_100000181395_200009817547 [1,0,0,1,0,0|2,0,0]=4 1726 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [1,0,0,1,0,0|1,0,1]=4 1727 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200015260668 [1,0,0,1,0,0|1,0,0]=3 1728 B12R1.283 O=CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200015260668 [1,0,0,1,0,0|2,0,0]=4 1729 B12R1.283 O=CCN1CCSCC1C(=O)O 269956a_100011346106_200015260668 [1,0,0,1,0,0|2,0,0]=4 1730 B12R1.283 O=CCN1CSCCC1C(=O)O 269956a_100015185162_200015260668 [1,0,0,1,0,0|2,0,0]=4 1731 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000754431 [1,0,0,1,0,0|2,0,0]=4 1732 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [1,0,0,1,0,0|1,0,1]=4 1733 B12R1.522 C=CCCCN1CCC1C(=O)O 269956a_100000021838_100011713584 [1,0,0,1,0,0|2,0,0]=4 1734 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [1,0,0,1,0,0|1,0,1]=4 1735 B12R1.522 O=CCCCN1CCC1C(=O)O 269956a_100000021838_200011292268 [1,0,0,1,0,0|1,0,0]=3 1736 B12R1.105 O=C(O)CNCC1CNC(=O)O1 269956a_100016091260_100000181169 [0,0,0,1,1,0|2,0,0]=4 1737 B12R1.105 O=C(O)CNC[C@@H]1CCC(=O)N1 269956a_100016091260_100015189358 [0,0,0,1,1,0|2,0,0]=4 1738 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200000210301 [0,0,0,1,1,0|2,0,0]=4 1739 B12R1.261 [13CH3]C(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200025704644 [0,0,0,1,1,0|2,0,0]=4 1740 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [0,0,0,1,1,0|2,0,0]=4 1741 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [0,0,0,1,1,0|1,0,1]=4 1742 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,0,0,1,1,0|2,0,0]=4 1743 B12R1.1804 NC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000744528 [0,0,0,1,1,0|2,0,0]=4 1744 B14R1.128 CC(=O)CCCCOC1CCC(=O)C1 34a_100012614533_100009817362 [0,0,0,1,0,1|2,0,0]=4 1745 B14R1.128 CC(=O)CCCCSC1COC(=O)O1 62a_100000735457_100000032252 [0,0,0,1,0,1|2,0,0]=4 1746 B14R1.128 CC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000685027 [0,0,0,1,0,1|2,0,0]=4 1747 B14R1.128 CC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100000685027 [0,0,0,1,0,1|2,0,0]=4 1748 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 34a_100000759063_100000181169 [0,0,0,1,0,1|2,0,0]=4 1749 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 34a_100011315639_100000685027 [0,0,0,1,0,1|2,0,0]=4 1750 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 7a_100000759063_100000181169 [0,0,0,1,0,1|2,0,0]=4 1751 B14R1.128 CC(=O)CCCOCC1COC(=O)O1 34a_100000759063_100000073702 [0,0,0,1,0,1|2,0,0]=4 1752 B14R1.128 CC(=O)CCCOC[C@@H]1CCC(=O)N1 7a_100000759063_100015189358 [0,0,0,1,0,1|2,0,0]=4 1753 B14R1.128 CC(=O)CCCSCC1CNC(=O)O1 62a_100000181169_100011215641 [0,0,0,1,0,1|2,0,0]=4 1754 B14R1.128 CC(=O)CCCSCC1CNC(=O)O1 62a_100011215641_100000181169 [0,0,0,1,0,1|2,0,0]=4 1755 B14R1.128 CC(=O)CCCSCC1COC(=O)O1 62a_100000073702_100011215641 [0,0,0,1,0,1|2,0,0]=4 1756 B14R1.128 CC(=O)CCCSCC1COC(=O)O1 62a_100011215641_100000073702 [0,0,0,1,0,1|2,0,0]=4 1757 B14R1.128 CC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100011215641_100015189358 [0,0,0,1,0,1|2,0,0]=4 1758 B14R1.128 CC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215641 [0,0,0,1,0,1|2,0,0]=4 1759 B14R1.128 NC(=O)CCCCNC1COC(=O)O1 34a_100000696515_100000032252 [0,0,0,1,0,1|2,0,0]=4 1760 B14R1.128 NC(=O)CCCCOC1COC(=O)O1 34a_100012022536_100000032252 [0,0,0,1,0,1|2,0,0]=4 1761 B14R1.128 NC(=O)CCCNCC1CNC(=O)O1 34a_100000739312_100000181169 [0,0,0,1,0,1|2,0,0]=4 1762 B14R1.128 NC(=O)CCCNCC1COC(=O)O1 34a_100000739312_100000073702 [0,0,0,1,0,1|2,0,0]=4 1763 B14R1.128 NC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100102525003 [0,0,0,1,0,1|2,0,0]=4 1764 B14R1.128 NC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100102525003 [0,0,0,1,0,1|2,0,0]=4 1765 B14R1.128 NC(=O)CCCOCC1CNC(=O)O1 34a_100011315639_100102525003 [0,0,0,1,0,1|2,0,0]=4 1766 B14R1.128 NC(=O)CCCSCC1CNC(=O)O1 62a_100000181169_100102525003 [0,0,0,1,0,1|2,0,0]=4 1767 B14R1.128 NC(=O)CCCSCC1CNC(=O)O1 62a_100102525003_100000181169 [0,0,0,1,0,1|2,0,0]=4 1768 B14R1.128 NC(=O)CCCSCC1COC(=O)O1 62a_100000073702_100102525003 [0,0,0,1,0,1|2,0,0]=4 1769 B14R1.128 NC(=O)CCCSCC1COC(=O)O1 62a_100102525003_100000073702 [0,0,0,1,0,1|2,0,0]=4 1770 B14R1.128 NC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100102525003 [0,0,0,1,0,1|2,0,0]=4 1771 B14R1.128 NC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100102525003_100015189358 [0,0,0,1,0,1|2,0,0]=4 1772 B14R1.148 CC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100000685027 [0,0,0,1,0,1|2,0,0]=4 1773 B14R1.148 NC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100102525003 [0,0,0,1,0,1|2,0,0]=4 1774 B14R1.148 NC(=O)CCOCC1CCCC(=O)N1 34a_200000102386_100000731001 [0,0,0,1,0,1|2,0,0]=4 1775 B14R1.340 CC(=O)CCCCOCC1CC(=O)C1 34a_100000101936_100009817362 [0,0,0,1,0,1|2,0,0]=4 1776 B14R1.340 CC(=O)CCCCSCC1CC(=O)C1 62a_100000735457_100009874392 [0,0,0,1,0,1|2,0,0]=4 1777 B14R1.340 CC(=O)CCCCSCC1CC(=O)C1 62a_100009874392_100000735457 [0,0,0,1,0,1|2,0,0]=4 1778 B14R1.340 NC(=O)CCCCCSC1CC(=O)C1 62a_100009894365_100009817443 [0,0,0,1,0,1|2,0,0]=4 1779 B14R1.340 NC(=O)CCCCOCC1CC(=O)C1 7a_100012022536_100009874392 [0,0,0,1,0,1|2,0,0]=4 1780 B14R1.340 O=C(O)COCCNCC1CC(=O)C1 269956a_100000700818_100009874392 [0,0,0,1,0,1|2,0,0]=4 1781 B14R1.814 NC(=O)CC1CCCCN1CC(=O)N 2230a_100015184752_100000747473 [0,0,0,1,0,1|2,0,0]=4 1782 B14R1.814 NC(=O)CC1CCCCN1CC(=O)N 269982a_100015184752_100000187820 [0,0,0,1,0,1|2,0,0]=4 1783 B14R1.814 NC(=O)CC1CCCCN1CC(=O)N 34a_100015184752_100000187820 [0,0,0,1,0,1|2,0,0]=4 1784 B14R1.814 NC(=O)CC1CCCCN1CC(=O)[O-] 269982a_100015184752_100020667443 [0,0,0,1,0,1|1,0,1]=4 1785 B14R1.814 NC(=O)CC1CCCCN1CC(=O)[O-] 34a_100015184752_100020667443 [0,0,0,1,0,1|1,0,1]=4 1786 B14R1.4522 C=C(C)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730704 [0,0,0,1,0,1|2,0,0]=4 1787 B14R1.4522 C=C(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748629 [0,0,0,1,0,1|2,0,0]=4 1788 B14R1.4522 C=C(F)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000042424 [0,0,0,1,0,1|2,0,0]=4 1789 B14R1.4522 CC(=O)CCN1CCCCC1C(=O)N 269982a_100000181395_100000053229 [0,0,0,1,0,1|2,0,0]=4 1790 B14R1.4522 CC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000053229 [0,0,0,1,0,1|1,0,0]=3 1791 B14R1.4522 CC(=O)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000053229 [0,0,0,1,0,1|2,0,0]=4 1792 B14R1.4522 CC(=O)CCN1CCSCC1C(=O)O 269956a_100011346106_100000053229 [0,0,0,1,0,1|2,0,0]=4 1793 B14R1.4522 CC(=O)CCN1CSCCC1C(=O)O 269956a_100015185162_100000053229 [0,0,0,1,0,1|2,0,0]=4 1794 B14R1.4522 CC(=O)OCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000076356 [0,0,0,1,0,1|2,0,0]=4 1795 B14R1.4522 CC(O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012276601 [0,0,0,1,0,1|1,0,1]=4 1796 B14R1.4522 CC(O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218427 [0,0,0,1,0,1|1,0,1]=4 1797 B14R1.4522 C[C@@H](O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009817552 [0,0,0,1,0,1|1,0,1]=4 1798 B14R1.4522 NC(=O)CCN1CCCCC1C(=O)N 2230a_100000181395_100000744528 [0,0,0,1,0,1|2,0,0]=4 1799 B14R1.4522 NC(=O)CCN1CCCCC1C(=O)N 269982a_100000181395_100000744528 [0,0,0,1,0,1|2,0,0]=4 1800 B14R1.4522 NC(=O)CCN1CCCCC1C(=O)N 34a_100000181395_100000731001 [0,0,0,1,0,1|2,0,0]=4 1801 B14R1.4522 NC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000744528 [0,0,0,1,0,1|1,0,0]=3 1802 B14R1.4522 NC(=O)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000744528 [0,0,0,1,0,1|2,0,0]=4 1803 B14R1.4522 NC(=O)CCN1CCSCC1C(=O)O 269956a_100011346106_100000744528 [0,0,0,1,0,1|2,0,0]=4 1804 B14R1.4522 NC(=O)CCN1CSCCC1C(=O)O 269956a_100015185162_100000744528 [0,0,0,1,0,1|2,0,0]=4 1805 B14R1.4522 NC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000187820 [0,0,0,1,0,1|1,0,0]=3 1806 B14R1.4522 O=C(O)[C@@H]1CCCC[C@H]1NC[N+](=O)[O-] 269956a_100009816435_100000761209 [0,0,0,1,0,1|1,0,1]=4 1807 B14R1.4522 O=C([O-])CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100020667443 [0,0,0,1,0,1|0,0,1]=3 1808 B14R1.6316 CC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215641 [0,0,0,1,0,1|1,0,0]=3 1809 B14R1.6316 CC(=O)CCCN1CCSC1C(=O)O 269956a_100000035718_100011215641 [0,0,0,1,0,1|2,0,0]=4 1810 B14R1.6316 CC(=O)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011215641 [0,0,0,1,0,1|2,0,0]=4 1811 B14R1.6316 CC(=O)NCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000189650 [0,0,0,1,0,1|2,0,0]=4 1812 B14R1.6316 CC(=O)OCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009814007 [0,0,0,1,0,1|2,0,0]=4 1813 B14R1.6316 CC(O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000718107 [0,0,0,1,0,1|1,0,1]=4 1814 B14R1.6316 NC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100102525003 [0,0,0,1,0,1|1,0,0]=3 1815 B14R1.6316 NC(=O)CCCN1CCSC1C(=O)O 269956a_100000035718_100102525003 [0,0,0,1,0,1|2,0,0]=4 1816 B14R1.6316 NC(=O)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100102525003 [0,0,0,1,0,1|2,0,0]=4 1817 B14R1.6316 NC(=O)NCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000034859 [0,0,0,1,0,1|2,0,0]=4 1818 B14R1.6325 C=C(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000748629 [0,0,0,1,0,1|2,0,0]=4 1819 B14R1.6325 C=C(F)CN1CCCCCC1C(=O)O 269956a_100000758484_100000042424 [0,0,0,1,0,1|2,0,0]=4 1820 B14R1.6325 CC(O)CN1CCCCCC1C(=O)O 269956a_100000758484_100011218427 [0,0,0,1,0,1|1,0,1]=4 1821 B14R1.6325 C[C@@H](O)CN1CCCCCC1C(=O)O 269956a_100000758484_100009817552 [0,0,0,1,0,1|1,0,1]=4 1822 B14R1.6325 NC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000187820 [0,0,0,1,0,1|1,0,0]=3 1823 B14R1.6325 O=C(O)C1CCCCCN1C[N+](=O)[O-] 269956a_100000758484_100000761209 [0,0,0,1,0,1|1,0,1]=4 1824 B14R1.6325 O=C([O-])CN1CCCCCC1C(=O)O 269956a_100000758484_100020667443 [0,0,0,1,0,1|0,0,1]=3 1825 B14R1.6344 CC(=O)CCCCN1CCC1C(=O)O 269956a_100000021838_100000735457 [0,0,0,1,0,1|1,0,0]=3 1826 B14R1.6344 CC(=O)OCCCN1CCC1C(=O)O 269956a_100000021838_100000042594 [0,0,0,1,0,1|2,0,0]=4 1827 B14R1.6344 CC(=O)SCCCN1CCC1C(=O)O 269956a_100000021838_100000038929 [0,0,0,1,0,1|2,0,0]=4 1828 B14R1.6344 NC(=O)COCCN1CCC1C(=O)O 269956a_100000021838_100000076697 [0,0,0,1,0,1|2,0,0]=4 1829 B14R1.6344 O=C(O)C1CCN1CCCCB(O)O 269956a_100000021838_200009817182 [0,0,0,1,0,1|1,0,1]=4 1830 B14R1.339 O=C(O)CC(O)CNCC1CC(=O)C1 269956a_100011218706_100009874392 [0,1,0,1,0,0|2,0,0]=4 1831 B14R1.811 NC(=O)CN1CCCC(C1)CC(=O)O 269956a_100015207179_100000187820 [0,1,0,1,0,0|2,0,0]=4 1832 B14R1.811 O=C([O-])CN1CCCC(C1)CC(=O)O 269956a_100015207179_100020667443 [0,1,0,1,0,0|1,0,1]=4 1833 B14R1.1449 CC(=O)CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000053229 [0,1,0,1,0,0|2,0,0]=4 1834 B14R1.1449 NC(=O)CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000744528 [0,1,0,1,0,0|2,0,0]=4 1835 B14R1.1456 CC(=O)CCCN1CC(C1)CC(=O)O 269956a_100016993960_100011215641 [0,1,0,1,0,0|2,0,0]=4 1836 B14R1.1456 NC(=O)CCCN1CC(C1)CC(=O)O 269956a_100016993960_100102525003 [0,1,0,1,0,0|2,0,0]=4 1837 B14R1.130 CC(CNCC1CNC(=O)O1)C(=O)O 269956a_100000749485_100000181169 [0,1,0,1,0,0|2,0,0]=4 1838 B14R1.130 CC(CNC[C@@H]1CCC(=O)N1)C(=O)O 269956a_100000749485_100015189358 [0,1,0,1,0,0|2,0,0]=4 1839 B14R1.130 O=C1CC[C@H](N1)CNCC(F)C(=O)O 269956a_100000084737_100015189358 [0,1,0,1,0,0|2,0,0]=4 1840 B14R1.130 O=C1NCC(O1)CNCC(F)C(=O)O 269956a_100000084737_100000181169 [0,1,0,1,0,0|2,0,0]=4 1841 B14R1.429 CC(=O)C(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009814033 [0,1,0,1,0,0|2,0,0]=4 1842 B14R1.1499 CC1(CCCCN1CC(=O)N)C(=O)O 269956a_100000698061_100000187820 [0,1,0,1,0,0|2,0,0]=4 1843 B14R1.1499 CC1(CCCCN1CC(=O)[O-])C(=O)O 269956a_100000698061_100020667443 [0,1,0,1,0,0|1,0,1]=4 1844 B14R1.6314 CC(=O)CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000053229 [0,1,0,1,0,0|2,0,0]=4 1845 B14R1.6314 NC(=O)CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000744528 [0,1,0,1,0,0|2,0,0]=4 1846 B14R1.6346 CC(=O)CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011215641 [0,1,0,1,0,0|2,0,0]=4 1847 B14R1.6346 NC(=O)CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100102525003 [0,1,0,1,0,0|2,0,0]=4 1848 B14R1.6355 NC(=O)CNC1CCCC(C1)C(=O)O 269956a_100011216634_100000187820 [0,1,0,1,0,0|2,0,0]=4 1849 B14R1.6355 O=C([O-])CNC1CCCC(C1)C(=O)O 269956a_100011216634_100020667443 [0,1,0,1,0,0|1,0,1]=4 1850 B14R1.13701 CC(=O)CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000053229 [0,1,0,1,0,0|2,0,0]=4 1851 B14R1.13701 C[C@]1(CCCN1CCC(=O)N)C(=O)O 269956a_100009816582_100000744528 [0,1,0,1,0,0|2,0,0]=4 1852 B14R1.4349 CC(=O)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000053229 [0,1,0,1,0,0|2,0,0]=4 1853 B14R1.4349 CC(=O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000053229 [0,1,0,1,0,0|2,0,0]=4 1854 B14R1.4349 NC(=O)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000744528 [0,1,0,1,0,0|2,0,0]=4 1855 B14R1.4349 NC(=O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000744528 [0,1,0,1,0,0|2,0,0]=4 1856 B14R1.4894 CC1CCCC(N1CC(=O)N)C(=O)O 269956a_100000704260_100000187820 [0,1,0,1,0,0|2,0,0]=4 1857 B14R1.4894 CC1CCCC(N1CC(=O)[O-])C(=O)O 269956a_100000704260_100020667443 [0,1,0,1,0,0|1,0,1]=4 1858 B14R1.6074 C[C@@H]1CCN([C@H](C1)C(=O)O)CC(=O)N 269956a_100009817619_100000187820 [0,1,0,1,0,0|2,0,0]=4 1859 B14R1.6074 C[C@@H]1CCN([C@H](C1)C(=O)O)CC(=O)[O-] 269956a_100009817619_100020667443 [0,1,0,1,0,0|1,0,1]=4 1860 B14R1.715 COC(=O)CCCOC1CCC(=O)C1 34a_100012614533_100000742333 [0,1,0,1,0,0|2,0,0]=4 1861 B14R1.715 COC(=O)CCCSC1COC(=O)O1 62a_100011218270_100000032252 [0,1,0,1,0,0|2,0,0]=4 1862 B14R1.715 COC(=O)CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000204255 [0,1,0,1,0,0|2,0,0]=4 1863 B14R1.715 COC(=O)CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000742370 [0,1,0,1,0,0|2,0,0]=4 1864 B14R1.715 COC(=O)CCOCC1CCC(=O)N1 34a_100000737831_100000742370 [0,1,0,1,0,0|2,0,0]=4 1865 B14R1.715 COC(=O)CCOCC1CNC(=O)O1 34a_100011315639_100000742370 [0,1,0,1,0,0|2,0,0]=4 1866 B14R1.715 COC(=O)CCSCC1CNC(=O)O1 62a_100000181169_100000204255 [0,1,0,1,0,0|2,0,0]=4 1867 B14R1.715 COC(=O)CCSCC1CNC(=O)O1 62a_100000204255_100000181169 [0,1,0,1,0,0|2,0,0]=4 1868 B14R1.715 COC(=O)CCSCC1COC(=O)O1 62a_100000073702_100000204255 [0,1,0,1,0,0|2,0,0]=4 1869 B14R1.715 COC(=O)CCSCC1COC(=O)O1 62a_100000204255_100000073702 [0,1,0,1,0,0|2,0,0]=4 1870 B14R1.715 COC(=O)CCSC[C@@H]1CCC(=O)N1 62a_100000204255_100015189358 [0,1,0,1,0,0|2,0,0]=4 1871 B14R1.715 COC(=O)CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000204255 [0,1,0,1,0,0|2,0,0]=4 1872 B14R1.722 COC(=O)CCCCSC1CC(=O)C1 62a_100009894365_100000204269 [0,1,0,1,0,0|2,0,0]=4 1873 B14R1.722 COC(=O)CCCOCC1CC(=O)C1 34a_100000101936_100000742333 [0,1,0,1,0,0|2,0,0]=4 1874 B14R1.722 COC(=O)CCCSCC1CC(=O)C1 62a_100009874392_100011218270 [0,1,0,1,0,0|2,0,0]=4 1875 B14R1.722 COC(=O)CCCSCC1CC(=O)C1 62a_100011218270_100009874392 [0,1,0,1,0,0|2,0,0]=4 1876 B14R1.744 COC(=O)C1CCCCC1NC(=O)C 188690a_100015195387_100015343762 [0,1,0,1,0,0|2,0,0]=4 1877 B14R1.744 COC(=O)C1CCCCN1CC(=O)N 2230a_100000734855_100000747473 [0,1,0,1,0,0|2,0,0]=4 1878 B14R1.744 COC(=O)C1CCCCN1CC(=O)N 269982a_100000734855_100000187820 [0,1,0,1,0,0|2,0,0]=4 1879 B14R1.744 COC(=O)C1CCCCN1CC(=O)N 34a_100000734855_100000187820 [0,1,0,1,0,0|2,0,0]=4 1880 B14R1.744 COC(=O)C1CCCCN1CC(=O)[O-] 269982a_100000734855_100020667443 [0,1,0,1,0,0|1,0,1]=4 1881 B14R1.744 COC(=O)C1CCCCN1CC(=O)[O-] 34a_100000734855_100020667443 [0,1,0,1,0,0|1,0,1]=4 1882 B14R1.744 NC(=O)CC1CCCCN1C(=O)CO 240690a_100015184752_100000210174 [0,1,0,1,0,0|2,0,0]=4 1883 B14R1.744 NC(=O)CC1CCCCN1C(=O)CO 527a_100015184752_100000210174 [0,1,0,1,0,0|2,0,0]=4 1884 B14R1.751 COC(=O)C1CCCC1OCC(=O)N 34a_200000081814_100000187820 [0,1,0,1,0,0|2,0,0]=4 1885 B14R1.751 COC(=O)C1CCCC1OCC(=O)N 7a_200000081814_100000187820 [0,1,0,1,0,0|2,0,0]=4 1886 B14R1.751 COC(=O)C1CCCC1OCC(=O)[O-] 34a_200000081814_100020667443 [0,1,0,1,0,0|1,0,1]=4 1887 B14R1.751 COC(=O)[C@@H]1CCCN1CCC(=O)C 269982a_100000752040_100000053229 [0,1,0,1,0,0|2,0,0]=4 1888 B14R1.751 COC(=O)[C@@H]1CCCN1CCC(=O)N 2230a_100000752040_100000744528 [0,1,0,1,0,0|2,0,0]=4 1889 B14R1.751 COC(=O)[C@@H]1CCCN1CCC(=O)N 269982a_100000752040_100000744528 [0,1,0,1,0,0|2,0,0]=4 1890 B14R1.834 CNC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000737683 [0,1,0,1,0,0|2,0,0]=4 1891 B14R1.834 COC(=O)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000204255 [0,1,0,1,0,0|2,0,0]=4 1892 B14R1.834 COC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000204255 [0,1,0,1,0,0|1,0,0]=3 1893 B14R1.834 COC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000204255 [0,1,0,1,0,0|2,0,0]=4 1894 B14R1.834 COC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000204255 [0,1,0,1,0,0|2,0,0]=4 1895 B14R1.1025 COC(=O)CCOC1CCCC(=O)C1 34a_100012613340_100000742370 [0,1,0,1,0,0|2,0,0]=4 1896 B14R1.1025 COC(=O)COCC1CCCC(=O)N1 34a_200000102386_100000747449 [0,1,0,1,0,0|2,0,0]=4 1897 B14R1.1158 COC(=O)[C@@H]1CCN1CCCC(=O)C 269982a_102516456887_100011215641 [0,1,0,1,0,0|2,0,0]=4 1898 B14R1.1158 COC(=O)[C@@H]1CCN1CCCC(=O)N 269982a_102516456887_100102525003 [0,1,0,1,0,0|2,0,0]=4 1899 B14R1.1518 CNC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100000741757 [0,1,0,1,0,0|2,0,0]=4 1900 B14R1.1518 COC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100011218270 [0,1,0,1,0,0|1,0,0]=3 1901 B14R1.3302 CCC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000747405 [0,1,0,1,0,0|2,0,0]=4 1902 B14R1.3302 CNC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000183359 [0,1,0,1,0,0|2,0,0]=4 1903 B14R1.3302 COC(=O)CN1CCCCC1C(=O)N 2230a_100000181395_100000747449 [0,1,0,1,0,0|2,0,0]=4 1904 B14R1.3302 COC(=O)CN1CCCCC1C(=O)N 269982a_100000181395_100000747449 [0,1,0,1,0,0|2,0,0]=4 1905 B14R1.3302 COC(=O)CN1CCCCC1C(=O)N 34a_100000181395_100000747449 [0,1,0,1,0,0|2,0,0]=4 1906 B14R1.3302 COC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000747449 [0,1,0,1,0,0|1,0,0]=3 1907 B14R1.3302 COC(=O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000747449 [0,1,0,1,0,0|2,0,0]=4 1908 B14R1.3302 COC(=O)CN1CCSCC1C(=O)O 269956a_100011346106_100000747449 [0,1,0,1,0,0|2,0,0]=4 1909 B14R1.3302 COC(=O)CN1CSCCC1C(=O)O 269956a_100015185162_100000747449 [0,1,0,1,0,0|2,0,0]=4 1910 B14R1.3306 COC(=O)C[C@H]1CCCN1CC(=O)N 2230a_100025726698_100000747473 [0,1,0,1,0,0|2,0,0]=4 1911 B14R1.3306 COC(=O)C[C@H]1CCCN1CC(=O)N 269982a_100025726698_100000187820 [0,1,0,1,0,0|2,0,0]=4 1912 B14R1.3306 COC(=O)C[C@H]1CCCN1CC(=O)N 34a_100025726698_100000187820 [0,1,0,1,0,0|2,0,0]=4 1913 B14R1.3306 COC(=O)C[C@H]1CCCN1CC(=O)[O-] 269982a_100025726698_100020667443 [0,1,0,1,0,0|1,0,1]=4 1914 B14R1.3306 COC(=O)C[C@H]1CCCN1CC(=O)[O-] 34a_100025726698_100020667443 [0,1,0,1,0,0|1,0,1]=4 1915 B14R1.164 NC(=O)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000187820 [0,1,0,1,0,0|2,0,0]=4 1916 B14R1.164 O=C([O-])CN1CC(CCC1C(=O)O)O 269956a_100000089875_100020667443 [0,1,0,1,0,0|1,0,1]=4 1917 B14R1.4268 CC(=O)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011215641 [0,1,0,1,0,0|1,0,1]=4 1918 B14R1.4268 NC(=O)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100102525003 [0,1,0,1,0,0|1,0,1]=4 1919 B14R1.5035 CN(CCCC(=O)O)CC1CC(=O)C1 269956a_100000719178_100009874392 [0,1,0,1,0,0|2,0,0]=4 1920 B14R2.697 O=C1CC(C1)N2CCC[C@H]2C(=O)O 269956a_100000743916_100009894365 [0,0,0,2,0,0|2,0,0]=4 1921 B14R2.8991 O=C1CC(C1)CN2CCC2C(=O)O 269956a_100000021838_100009874392 [0,0,0,2,0,0|2,0,0]=4 1922 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,2,0|2,0,0]=4 1923 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,2,0|2,0,0]=4 1924 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,2,0|2,0,0]=4 1925 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,0,0,0,0,2|2,0,0]=4 1926 B14R0.68 CC(=O)CCCCNCCCNC(=O)C 34a_100000736810_100009817362 [0,0,0,0,0,2|2,0,0]=4 1927 B14R0.68 CC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000735457 [0,0,0,0,0,2|1,0,0]=3 1928 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,0,0,0,0,2|2,0,0]=4 1929 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,0,0,0,0,2|2,0,0]=4 1930 B14R0.68 CC(=O)CCCCOCCCNC(=O)C 34a_100000752032_100009817362 [0,0,0,0,0,2|2,0,0]=4 1931 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,0,0,0,0,2|2,0,0]=4 1932 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000735457 [0,0,0,0,0,2|2,0,0]=4 1933 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000735457_100000042594 [0,0,0,0,0,2|2,0,0]=4 1934 B14R0.68 CC(=O)CCCCSCCCSC(=O)C 62a_100000038929_100000735457 [0,0,0,0,0,2|2,0,0]=4 1935 B14R0.68 CC(=O)CCCCSCCCSC(=O)C 62a_100000735457_100000038929 [0,0,0,0,0,2|2,0,0]=4 1936 B14R0.68 CC(=O)CCCCSCCOCC(=O)N 62a_100000076697_100000735457 [0,0,0,0,0,2|2,0,0]=4 1937 B14R0.68 CC(=O)CCCCSCCOCC(=O)N 62a_100000735457_100000076697 [0,0,0,0,0,2|2,0,0]=4 1938 B14R0.68 CC(=O)CCCNCCCCNC(=O)C 34a_200011368371_100000685027 [0,0,0,0,0,2|2,0,0]=4 1939 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,0,0,0,0,2|2,0,0]=4 1940 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,0,0,0,0,2|2,0,0]=4 1941 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,0,0,0,0,2|2,0,0]=4 1942 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,0,0,0,0,2|2,0,0]=4 1943 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,0,0,0,0,2|1,0,1]=4 1944 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000685027 [0,0,0,0,0,2|2,0,0]=4 1945 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000759063_100000033659 [0,0,0,0,0,2|2,0,0]=4 1946 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011215641 [0,0,0,0,0,2|2,0,0]=4 1947 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000759063_100000033659 [0,0,0,0,0,2|2,0,0]=4 1948 B14R0.68 CC(=O)CCCOCCCCSC(=O)C 34a_100000759063_200010402107 [0,0,0,0,0,2|2,0,0]=4 1949 B14R0.68 CC(=O)CCCOCCCCSC(=O)C 7a_100000759063_200010402107 [0,0,0,0,0,2|2,0,0]=4 1950 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,0,0,0,0,2|2,0,0]=4 1951 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,0,0,0,0,2|2,0,0]=4 1952 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011215641 [0,0,0,0,0,2|2,0,0]=4 1953 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100011215641_100000033659 [0,0,0,0,0,2|2,0,0]=4 1954 B14R0.68 CC(=O)CCCSCCCCSC(=O)C 62a_100011215641_200010402107 [0,0,0,0,0,2|2,0,0]=4 1955 B14R0.68 CC(=O)CCCSCCCCSC(=O)C 62a_200010402107_100011215641 [0,0,0,0,0,2|2,0,0]=4 1956 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 34a_100000759926_100000033007 [0,0,0,0,0,2|2,0,0]=4 1957 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 7a_100000759926_100000033007 [0,0,0,0,0,2|2,0,0]=4 1958 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000053229 [0,0,0,0,0,2|2,0,0]=4 1959 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000053229_100000033007 [0,0,0,0,0,2|2,0,0]=4 1960 B14R0.68 CC(=O)NCCCCCCNCC(=O)N 2230a_200011996284_100000747473 [0,0,0,0,0,2|2,0,0]=4 1961 B14R0.68 CC(=O)NCCCCCCNCC(=O)N 34a_200011996284_100000187820 [0,0,0,0,0,2|2,0,0]=4 1962 B14R0.68 CC(=O)NCCCCCCNCC(=O)[O-] 34a_200011996284_100020667443 [0,0,0,0,0,2|1,0,1]=4 1963 B14R0.68 CC(=O)NCCCCCNCCC(=O)N 2230a_200012022750_100000744528 [0,0,0,0,0,2|2,0,0]=4 1964 B14R0.68 CC(=O)NCCCCCNCCC(=O)N 34a_200012022750_100000731001 [0,0,0,0,0,2|2,0,0]=4 1965 B14R0.68 CC(=O)NCCCCNCCCC(=O)N 34a_200011368371_100102525003 [0,0,0,0,0,2|2,0,0]=4 1966 B14R0.68 CC(=O)NCCNCCCCCC(=O)N 2230a_100000209853_100009817443 [0,0,0,0,0,2|2,0,0]=4 1967 B14R0.68 CC(=O)NCCOCCCCCC(=O)N 34a_100000158858_100009817443 [0,0,0,0,0,2|2,0,0]=4 1968 B14R0.68 CC(=O)NCCOCCCCCC(=O)N 7a_100000123541_100000189650 [0,0,0,0,0,2|2,0,0]=4 1969 B14R0.68 CC(=O)NCCOCCCCCC(=O)[O-] 7a_100102619762_100000189650 [0,0,0,0,0,2|1,0,1]=4 1970 B14R0.68 CC(=O)NCCSCCCCCC(=O)N 62a_100000189650_100009817443 [0,0,0,0,0,2|2,0,0]=4 1971 B14R0.68 CC(=O)NCCSCCCCCC(=O)N 62a_100009817443_100000189650 [0,0,0,0,0,2|2,0,0]=4 1972 B14R0.68 CC(=O)OCCCCCNOCC(=O)O 269956a_100000106656_100000033007 [0,0,0,0,0,2|2,0,0]=4 1973 B14R0.68 CC(=O)OCCCCCOCCC(=O)N 34a_100000757172_100000033007 [0,0,0,0,0,2|2,0,0]=4 1974 B14R0.68 CC(=O)OCCCCCOCCC(=O)N 7a_100000757172_100000033007 [0,0,0,0,0,2|2,0,0]=4 1975 B14R0.68 CC(=O)OCCCCCSCCC(=O)N 62a_100000033007_100000744528 [0,0,0,0,0,2|2,0,0]=4 1976 B14R0.68 CC(=O)OCCCCCSCCC(=O)N 62a_100000744528_100000033007 [0,0,0,0,0,2|2,0,0]=4 1977 B14R0.68 CC(=O)OCCCCNCCCC(=O)N 34a_100000739312_100000033659 [0,0,0,0,0,2|2,0,0]=4 1978 B14R0.68 CC(=O)OCCCCOCCCC(=O)N 34a_100000073216_100102525003 [0,0,0,0,0,2|2,0,0]=4 1979 B14R0.68 CC(=O)OCCCCOCCCC(=O)N 7a_100000073216_100102525003 [0,0,0,0,0,2|2,0,0]=4 1980 B14R0.68 CC(=O)OCCCCSCCCC(=O)N 62a_100000033659_100102525003 [0,0,0,0,0,2|2,0,0]=4 1981 B14R0.68 CC(=O)OCCCCSCCCC(=O)N 62a_100102525003_100000033659 [0,0,0,0,0,2|2,0,0]=4 1982 B14R0.68 CC(=O)OCCCNCCCCC(=O)N 34a_100000696515_100000042594 [0,0,0,0,0,2|2,0,0]=4 1983 B14R0.68 CC(=O)OCCCNCCOCC(=O)O 269956a_100000700818_100000042594 [0,0,0,0,0,2|2,0,0]=4 1984 B14R0.68 CC(=O)OCCCOCCCCC(=O)N 34a_100012022536_100000042594 [0,0,0,0,0,2|2,0,0]=4 1985 B14R0.68 CC(=O)OCCCOCCCCC(=O)N 7a_100012022536_100000042594 [0,0,0,0,0,2|2,0,0]=4 1986 B14R0.68 CC(=O)OCCOCCCCCC(=O)N 34a_100000123541_100009814007 [0,0,0,0,0,2|2,0,0]=4 1987 B14R0.68 CC(=O)OCCOCCCCCC(=O)N 7a_100000123541_100009814007 [0,0,0,0,0,2|2,0,0]=4 1988 B14R0.68 CC(=O)OCCOCCCCCC(=O)[O-] 7a_100102619762_100009814007 [0,0,0,0,0,2|1,0,1]=4 1989 B14R0.68 CC(=O)OCCSCCCCCC(=O)N 62a_100009814007_100009817443 [0,0,0,0,0,2|2,0,0]=4 1990 B14R0.68 CC(=O)OCCSCCCCCC(=O)N 62a_100009817443_100009814007 [0,0,0,0,0,2|2,0,0]=4 1991 B14R0.68 CC(=O)SCCCCNCCCC(=O)N 34a_100000739312_200010402107 [0,0,0,0,0,2|2,0,0]=4 1992 B14R0.68 CC(=O)SCCCCSCCCC(=O)N 62a_100102525003_200010402107 [0,0,0,0,0,2|2,0,0]=4 1993 B14R0.68 CC(=O)SCCCCSCCCC(=O)N 62a_200010402107_100102525003 [0,0,0,0,0,2|2,0,0]=4 1994 B14R0.68 CC(=O)SCCCNCCCCC(=O)N 34a_100000696515_100000038929 [0,0,0,0,0,2|2,0,0]=4 1995 B14R0.68 CC(=O)SCCCNCCOCC(=O)O 269956a_100000700818_100000038929 [0,0,0,0,0,2|2,0,0]=4 1996 B14R0.68 CC(=O)SCCCOCCCCC(=O)N 34a_100012022536_100000038929 [0,0,0,0,0,2|2,0,0]=4 1997 B14R0.68 CC(=O)SCCCOCCCCC(=O)N 7a_100012022536_100000038929 [0,0,0,0,0,2|2,0,0]=4 1998 B14R0.68 NC(=O)CCCCCNCCCC(=O)N 34a_100000739312_100009817443 [0,0,0,0,0,2|2,0,0]=4 1999 B14R0.68 NC(=O)CCCCCNCCNC(=O)N 34a_100020590234_100009817443 [0,0,0,0,0,2|2,0,0]=4 2000 B14R0.68 NC(=O)CCCCCOCCCC(=O)N 34a_100000123541_100102525003 [0,0,0,0,0,2|2,0,0]=4 2001 B14R0.68 NC(=O)CCCCCOCCCC(=O)N 7a_100000123541_100102525003 [0,0,0,0,0,2|2,0,0]=4 2002 B14R0.68 NC(=O)CCCCCOCCNC(=O)N 34a_100000181757_100009817443 [0,0,0,0,0,2|2,0,0]=4 2003 B14R0.68 NC(=O)CCCCCOCCNC(=O)N 7a_100000123541_200000034859 [0,0,0,0,0,2|2,0,0]=4 2004 B14R0.68 NC(=O)CCCCCOCCOC(=O)N 34a_100000123541_200011214921 [0,0,0,0,0,2|2,0,0]=4 2005 B14R0.68 NC(=O)CCCCCOCCOC(=O)N 7a_100000123541_200011214921 [0,0,0,0,0,2|2,0,0]=4 2006 B14R0.68 NC(=O)CCCCCOCCOC(=O)N 7a_100000766696_100009817443 [0,0,0,0,0,2|2,0,0]=4 2007 B14R0.68 NC(=O)CCCCCSCCCC(=O)N 62a_100009817443_100102525003 [0,0,0,0,0,2|2,0,0]=4 2008 B14R0.68 NC(=O)CCCCCSCCCC(=O)N 62a_100102525003_100009817443 [0,0,0,0,0,2|2,0,0]=4 2009 B14R0.68 NC(=O)CCCCCSCCNC(=O)N 62a_100009817443_200000034859 [0,0,0,0,0,2|2,0,0]=4 2010 B14R0.68 NC(=O)CCCCCSCCNC(=O)N 62a_200000034859_100009817443 [0,0,0,0,0,2|2,0,0]=4 2011 B14R0.68 NC(=O)CCCCCSCCOC(=O)N 62a_100009817443_200011214921 [0,0,0,0,0,2|2,0,0]=4 2012 B14R0.68 NC(=O)CCCCCSCCOC(=O)N 62a_200011214921_100009817443 [0,0,0,0,0,2|2,0,0]=4 2013 B14R0.68 NC(=O)CCCCNCCOCC(=O)N 34a_100000696515_100000076697 [0,0,0,0,0,2|2,0,0]=4 2014 B14R0.68 NC(=O)CCCCOCCOCC(=O)N 34a_100012022536_100000076697 [0,0,0,0,0,2|2,0,0]=4 2015 B14R0.68 NC(=O)CCCCOCCOCC(=O)N 7a_100012022536_100000076697 [0,0,0,0,0,2|2,0,0]=4 2016 B14R0.68 NC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100102525003 [0,0,0,0,0,2|1,0,1]=4 2017 B14R0.68 NC(=O)CNCCOCCOCC(=O)O 269956a_100009854275_100000187820 [0,0,0,0,0,2|2,0,0]=4 2018 B14R0.68 NC(=O)COCCNCCOCC(=O)O 269956a_100000700818_100000076697 [0,0,0,0,0,2|2,0,0]=4 2019 B14R0.68 NC(=O)NCCOCCCCCC(=O)[O-] 7a_100102619762_200000034859 [0,0,0,0,0,2|1,0,1]=4 2020 B14R0.68 NC(=O)OCCOCCCCCC(=O)[O-] 7a_100102619762_200011214921 [0,0,0,0,0,2|1,0,1]=4 2021 B14R0.68 O=C(O)COCCNCCCCB(O)O 269956a_100000700818_200009817182 [0,0,0,0,0,2|1,0,1]=4 2022 B14R0.68 O=C(O)CONCCCCCCB(O)O 269956a_100000106656_100009817187 [0,0,0,0,0,2|1,0,1]=4 2023 B14R0.68 O=C([O-])CNCCOCCOCC(=O)O 269956a_100009854275_100020667443 [0,0,0,0,0,2|1,0,1]=4