0 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [0,0,0,0,0,0|2,0,2]=4 1 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)C 34a_200028454808_100000685027 [0,0,0,0,0,0|2,0,2]=4 2 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)C 7a_200028454808_100011215641 [0,0,0,0,0,0|2,0,2]=4 3 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)N 34a_200028454808_100102525003 [0,0,0,0,0,0|2,0,2]=4 4 B17R0.43 CCCCCC/C=C/C=C/COCCCC(=O)N 7a_200028454808_100102525003 [0,0,0,0,0,0|2,0,2]=4 5 B17R0.43 CCCCCCC/C=C/C=C/COCCC(=O)C 7a_200025756345_100000053229 [0,0,0,0,0,0|2,0,2]=4 6 B17R0.43 CCCCCCC/C=C/C=C/COCCC(=O)N 34a_200025756345_100000731001 [0,0,0,0,0,0|2,0,2]=4 7 B17R0.43 CCCCCCC/C=C/C=C/COCCC(=O)N 7a_200025756345_100000744528 [0,0,0,0,0,0|2,0,2]=4 8 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 34a_200020667288_100000685027 [0,0,0,0,0,0|2,0,0]=2 9 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 7a_200020667288_100011215641 [0,0,0,0,0,0|2,0,0]=2 10 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 34a_200020667288_100102525003 [0,0,0,0,0,0|2,0,0]=2 11 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 7a_200020667288_100102525003 [0,0,0,0,0,0|2,0,0]=2 12 B17R0.43 CCCCCCCC/C=C/COCCCC(C)O 34a_200020667288_200000718107 [0,0,0,0,0,0|2,0,1]=3 13 B17R0.43 CCCCCCCC/C=C/COCCCC(C)O 7a_200020667288_200000718107 [0,0,0,0,0,0|2,0,1]=3 14 B17R0.43 CCCCCCCC/C=C/COCCCN(C)C 7a_200020667288_100000757444 [0,0,0,0,0,0|4,0,0]=4 15 B17R0.43 CCCCCCCC/C=C/COCCNC(=O)C 7a_200020667288_100000189650 [0,0,0,0,0,0|3,0,0]=3 16 B17R0.43 CCCCCCCC/C=C/COCCNC(=O)N 7a_200020667288_200000034859 [0,0,0,0,0,0|3,0,0]=3 17 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)C 34a_200020667288_100009814007 [0,0,0,0,0,0|3,0,0]=3 18 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)C 7a_200020667288_100009814007 [0,0,0,0,0,0|3,0,0]=3 19 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)N 34a_200020667288_200011214921 [0,0,0,0,0,0|3,0,0]=3 20 B17R0.43 CCCCCCCC/C=C/COCCOC(=O)N 7a_200020667288_200011214921 [0,0,0,0,0,0|3,0,0]=3 21 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,0,0,0,0,0|2,0,2]=4 22 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 34a_100015232335_100000731001 [0,0,0,0,0,0|2,0,2]=4 23 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 7a_100015232335_100000744528 [0,0,0,0,0,0|2,0,2]=4 24 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,0,0,0,0,0|2,0,2]=4 25 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,0,0,0,0,0|2,0,2]=4 26 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,0,0,0,0,0|2,0,2]=4 27 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,0,0,0,0,0|2,0,2]=4 28 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [0,0,0,0,0,0|2,0,2]=4 29 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [0,0,0,0,0,0|2,0,2]=4 30 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [0,0,0,0,0,0|2,0,2]=4 31 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,0,0,0,0,0|1,0,2]=3 32 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [0,0,0,0,0,0|1,0,3]=4 33 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [0,0,0,0,0,0|2,0,2]=4 34 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [0,0,0,0,0,0|2,0,2]=4 35 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [0,0,0,0,0,0|2,0,2]=4 36 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [0,0,0,0,0,0|1,0,3]=4 37 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [0,0,0,0,0,0|2,0,2]=4 38 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [0,0,0,0,0,0|1,0,3]=4 39 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [0,0,0,0,0,0|2,0,2]=4 40 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [0,0,0,0,0,0|2,0,2]=4 41 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,0,0,0,0,0|2,0,2]=4 42 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [0,0,0,0,0,0|2,0,2]=4 43 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [0,0,0,0,0,0|2,0,2]=4 44 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [0,0,0,0,0,0|2,0,2]=4 45 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [0,0,0,0,0,0|2,0,2]=4 46 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [0,0,0,0,0,0|2,0,2]=4 47 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [0,0,0,0,0,0|2,0,2]=4 48 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [0,0,0,0,0,0|2,0,2]=4 49 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [0,0,0,0,0,0|2,0,2]=4 50 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [0,0,0,0,0,0|2,0,2]=4 51 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [0,0,0,0,0,0|2,0,2]=4 52 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [0,0,0,0,0,0|2,0,2]=4 53 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [0,0,0,0,0,0|2,0,2]=4 54 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [0,0,0,0,0,0|2,0,2]=4 55 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [0,0,0,0,0,0|2,0,2]=4 56 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [0,0,0,0,0,0|2,0,2]=4 57 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [0,0,0,0,0,0|2,0,2]=4 58 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [0,0,0,0,0,0|2,0,2]=4 59 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [0,0,0,0,0,0|2,0,2]=4 60 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [0,0,0,0,0,0|2,0,2]=4 61 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [0,0,0,0,0,0|2,0,2]=4 62 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,0,0,0,0,0|2,0,2]=4 63 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [0,0,0,0,0,0|2,0,2]=4 64 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [0,0,0,0,0,0|2,0,2]=4 65 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [0,0,0,0,0,0|2,0,2]=4 66 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [0,0,0,0,0,0|2,0,2]=4 67 B17R0.43 CCCCCCCCCNCCCCCB(O)O 2230a_100000212291_200009817188 [0,0,0,0,0,0|2,0,2]=4 68 B17R0.43 CCCCCCCCCNCCCCCB(O)O 34a_100000212291_200009817188 [0,0,0,0,0,0|2,0,2]=4 69 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [0,0,0,0,0,0|2,0,1]=3 70 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [0,0,0,0,0,0|2,0,1]=3 71 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011214924 [0,0,0,0,0,0|3,0,1]=4 72 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100011214924 [0,0,0,0,0,0|3,0,1]=4 73 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [0,0,0,0,0,0|3,0,1]=4 74 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 2230a_100000212291_200010402107 [0,0,0,0,0,0|3,0,1]=4 75 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 34a_100000212291_200010402107 [0,0,0,0,0,0|3,0,1]=4 76 B17R0.43 CCCCCCCCCOCCCCCB(O)O 34a_100000210712_200009817188 [0,0,0,0,0,0|2,0,2]=4 77 B17R0.43 CCCCCCCCCOCCCCCB(O)O 7a_100000210712_200009817188 [0,0,0,0,0,0|2,0,2]=4 78 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [0,0,0,0,0,0|2,0,1]=3 79 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [0,0,0,0,0,0|2,0,1]=3 80 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [0,0,0,0,0,0|2,0,1]=3 81 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [0,0,0,0,0,0|2,0,1]=3 82 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [0,0,0,0,0,0|1,0,2]=3 83 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [0,0,0,0,0,0|3,0,1]=4 84 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [0,0,0,0,0,0|3,0,1]=4 85 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [0,0,0,0,0,0|3,0,1]=4 86 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [0,0,0,0,0,0|3,0,1]=4 87 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 34a_100000210712_200010402107 [0,0,0,0,0,0|3,0,1]=4 88 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 7a_100000210712_200010402107 [0,0,0,0,0,0|3,0,1]=4 89 B17R0.43 CCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210670 [0,0,0,0,0,0|2,0,2]=4 90 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [0,0,0,0,0,0|2,0,1]=3 91 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [0,0,0,0,0,0|3,0,1]=4 92 B17R0.43 CCCCCCCCNCCCCCCB(O)O 2230a_100000229939_100009817187 [0,0,0,0,0,0|2,0,2]=4 93 B17R0.43 CCCCCCCCNCCCCCCB(O)O 34a_100000229939_100009817187 [0,0,0,0,0,0|2,0,2]=4 94 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210759 [0,0,0,0,0,0|3,0,1]=4 95 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210759 [0,0,0,0,0,0|3,0,1]=4 96 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [0,0,0,0,0,0|3,0,1]=4 97 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [0,0,0,0,0,0|3,0,1]=4 98 B17R0.43 CCCCCCCCOCCCCCCB(O)O 34a_100000210232_100009817187 [0,0,0,0,0,0|2,0,2]=4 99 B17R0.43 CCCCCCCCOCCCCCCB(O)O 7a_100000210232_100009817187 [0,0,0,0,0,0|2,0,2]=4 100 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [0,0,0,0,0,0|3,0,1]=4 101 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [0,0,0,0,0,0|3,0,1]=4 102 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100000210759_100009817187 [0,0,0,0,0,0|2,0,2]=4 103 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210317 [0,0,0,0,0,0|2,0,2]=4 104 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [0,0,0,0,0,0|3,0,1]=4 105 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [0,0,0,0,0,0|3,0,1]=4 106 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [0,0,0,0,0,0|3,0,1]=4 107 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [0,0,0,0,0,0|3,0,1]=4 108 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [0,0,0,0,0,0|2,0,2]=4 109 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [0,0,0,0,0,0|2,0,2]=4 110 B17R0.43 CCCCNCCCCOCCCCCC(=O)N 34a_200011216965_100009817443 [0,0,0,0,0,0|3,0,1]=4 111 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [0,0,0,0,0,0|2,0,2]=4 112 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [0,0,0,0,0,0|2,0,2]=4 113 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 34a_200000760531_100009817443 [0,0,0,0,0,0|3,0,1]=4 114 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 7a_200000760531_100009817443 [0,0,0,0,0,0|3,0,1]=4 115 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [0,0,0,0,0,0|2,0,2]=4 116 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [0,0,0,0,0,0|2,0,2]=4 117 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009817443 [0,0,0,0,0,0|3,0,1]=4 118 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009817443 [0,0,0,0,0,0|3,0,1]=4 119 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009817443 [0,0,0,0,0,0|3,0,1]=4 120 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009817443 [0,0,0,0,0,0|3,0,1]=4 121 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009817443 [0,0,0,0,0,0|3,0,1]=4 122 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009817443 [0,0,0,0,0,0|3,0,1]=4 123 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 34a_100000123541_100000033203 [0,0,0,0,0,0|3,0,1]=4 124 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 7a_100000123541_100000033203 [0,0,0,0,0,0|3,0,1]=4 125 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009817443 [0,0,0,0,0,0|3,0,1]=4 126 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100009817443_100000033203 [0,0,0,0,0,0|3,0,1]=4 127 B17R0.43 NCCCCCCCCOCCCCCC(=O)N 34a_102515433106_100009817443 [0,0,0,0,0,0|3,0,1]=4 128 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,0,0,0,0,0|2,0,2]=4 129 B17R0.43 O=C([O-])CCCCCOCCCCCCCCO 7a_100102619762_100000033203 [0,0,0,0,0,0|2,0,2]=4 130 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [1,0,0,0,0,0|2,0,1]=4 131 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [1,0,0,0,0,0|2,0,0]=3 132 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 34a_200020667288_100000731001 [1,0,0,0,0,0|2,0,0]=3 133 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 7a_200020667288_100000744528 [1,0,0,0,0,0|2,0,0]=3 134 B16R0.274 CCCCCCCC/C=C/COCCC(C)O 34a_200020667288_100012276601 [1,0,0,0,0,0|2,0,1]=4 135 B16R0.274 CCCCCCCC/C=C/COCCC(C)O 7a_200020667288_100012276601 [1,0,0,0,0,0|2,0,1]=4 136 B16R0.274 CCCCCCCC/C=C/COCOC(=O)C 34a_200020667288_100009813279 [1,0,0,0,0,0|3,0,0]=4 137 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [1,0,0,0,0,0|2,0,1]=4 138 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [1,0,0,0,0,0|2,0,1]=4 139 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [1,0,0,0,0,0|2,0,1]=4 140 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [1,0,0,0,0,0|2,0,1]=4 141 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [1,0,0,0,0,0|2,0,1]=4 142 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [1,0,0,0,0,0|2,0,1]=4 143 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [1,0,0,0,0,0|2,0,1]=4 144 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [1,0,0,0,0,0|1,0,1]=3 145 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [1,0,0,0,0,0|1,0,2]=4 146 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,0,0,0,0,0|2,0,1]=4 147 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [1,0,0,0,0,0|2,0,1]=4 148 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [1,0,0,0,0,0|2,0,1]=4 149 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [1,0,0,0,0,0|1,0,2]=4 150 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [1,0,0,0,0,0|2,0,1]=4 151 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [1,0,0,0,0,0|1,0,2]=4 152 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [1,0,0,0,0,0|2,0,1]=4 153 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [1,0,0,0,0,0|2,0,1]=4 154 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [1,0,0,0,0,0|2,0,1]=4 155 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [1,0,0,0,0,0|2,0,1]=4 156 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [1,0,0,0,0,0|2,0,1]=4 157 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [1,0,0,0,0,0|2,0,1]=4 158 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [1,0,0,0,0,0|2,0,1]=4 159 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [1,0,0,0,0,0|2,0,1]=4 160 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [1,0,0,0,0,0|2,0,1]=4 161 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [1,0,0,0,0,0|2,0,1]=4 162 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [1,0,0,0,0,0|2,0,1]=4 163 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [1,0,0,0,0,0|2,0,1]=4 164 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [1,0,0,0,0,0|2,0,1]=4 165 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [1,0,0,0,0,0|2,0,1]=4 166 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [1,0,0,0,0,0|2,0,1]=4 167 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [1,0,0,0,0,0|2,0,1]=4 168 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [1,0,0,0,0,0|2,0,1]=4 169 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [1,0,0,0,0,0|2,0,1]=4 170 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [1,0,0,0,0,0|2,0,1]=4 171 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [1,0,0,0,0,0|2,0,1]=4 172 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [1,0,0,0,0,0|2,0,1]=4 173 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [1,0,0,0,0,0|2,0,1]=4 174 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [1,0,0,0,0,0|2,0,1]=4 175 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [1,0,0,0,0,0|2,0,1]=4 176 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [1,0,0,0,0,0|2,0,1]=4 177 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [1,0,0,0,0,0|2,0,1]=4 178 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [1,0,0,0,0,0|2,0,1]=4 179 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [1,0,0,0,0,0|2,0,1]=4 180 B16R0.274 CCCCCCCCNCCCCCB(O)O 2230a_100000229939_200009817188 [1,0,0,0,0,0|2,0,1]=4 181 B16R0.274 CCCCCCCCNCCCCCB(O)O 34a_100000229939_200009817188 [1,0,0,0,0,0|2,0,1]=4 182 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [1,0,0,0,0,0|2,0,0]=3 183 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [1,0,0,0,0,0|2,0,0]=3 184 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [1,0,0,0,0,0|3,0,0]=4 185 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [1,0,0,0,0,0|3,0,0]=4 186 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [1,0,0,0,0,0|3,0,0]=4 187 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [1,0,0,0,0,0|3,0,0]=4 188 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [1,0,0,0,0,0|3,0,0]=4 189 B16R0.274 CCCCCCCCOCCCCCB(O)O 34a_100000210232_200009817188 [1,0,0,0,0,0|2,0,1]=4 190 B16R0.274 CCCCCCCCOCCCCCB(O)O 7a_100000210232_200009817188 [1,0,0,0,0,0|2,0,1]=4 191 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [1,0,0,0,0,0|2,0,0]=3 192 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [1,0,0,0,0,0|2,0,0]=3 193 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [1,0,0,0,0,0|2,0,0]=3 194 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [1,0,0,0,0,0|2,0,0]=3 195 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [1,0,0,0,0,0|1,0,1]=3 196 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [1,0,0,0,0,0|3,0,0]=4 197 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [1,0,0,0,0,0|3,0,0]=4 198 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [1,0,0,0,0,0|3,0,0]=4 199 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [1,0,0,0,0,0|3,0,0]=4 200 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [1,0,0,0,0,0|3,0,0]=4 201 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [1,0,0,0,0,0|3,0,0]=4 202 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_100000210759_200009817188 [1,0,0,0,0,0|2,0,1]=4 203 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210317 [1,0,0,0,0,0|2,0,1]=4 204 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [1,0,0,0,0,0|2,0,0]=3 205 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [1,0,0,0,0,0|2,0,0]=3 206 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [1,0,0,0,0,0|3,0,0]=4 207 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [1,0,0,0,0,0|3,0,0]=4 208 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [1,0,0,0,0,0|3,0,0]=4 209 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [1,0,0,0,0,0|3,0,0]=4 210 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [1,0,0,0,0,0|3,0,0]=4 211 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [1,0,0,0,0,0|3,0,0]=4 212 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [1,0,0,0,0,0|3,0,0]=4 213 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [1,0,0,0,0,0|3,0,0]=4 214 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [1,0,0,0,0,0|3,0,0]=4 215 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [1,0,0,0,0,0|2,0,1]=4 216 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [1,0,0,0,0,0|2,0,1]=4 217 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [1,0,0,0,0,0|2,0,1]=4 218 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [1,0,0,0,0,0|3,0,0]=4 219 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [1,0,0,0,0,0|3,0,0]=4 220 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [1,0,0,0,0,0|3,0,0]=4 221 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [1,0,0,0,0,0|3,0,0]=4 222 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [1,0,0,0,0,0|2,0,1]=4 223 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [1,0,0,0,0,0|3,0,0]=4 224 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [1,0,0,0,0,0|3,0,0]=4 225 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [1,0,0,0,0,0|3,0,0]=4 226 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [1,0,0,0,0,0|3,0,0]=4 227 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [1,0,0,0,0,0|3,0,0]=4 228 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [1,0,0,0,0,0|3,0,0]=4 229 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [1,0,0,0,0,0|3,0,0]=4 230 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [1,0,0,0,0,0|3,0,0]=4 231 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [1,0,0,0,0,0|3,0,0]=4 232 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [1,0,0,0,0,0|3,0,0]=4 233 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [1,0,0,0,0,0|3,0,0]=4 234 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [1,0,0,0,0,0|2,0,1]=4 235 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [1,0,0,0,0,0|2,0,1]=4 236 B16R0.303 C#CCCCOC/C=C/CCCCCCCC 34a_200020667288_100000695029 [1,0,0,0,0,0|2,0,1]=4 237 B16R0.303 C#CCCCOC/C=C/CCCCCCCC 7a_200020667288_100011215417 [1,0,0,0,0,0|2,0,1]=4 238 B16R0.303 C=COCCOC/C=C/CCCCCCCC 34a_200020667288_100000039644 [1,0,0,0,0,0|3,0,0]=4 239 B16R0.303 C=COCCOC/C=C/CCCCCCCC 7a_200020667288_100000039644 [1,0,0,0,0,0|3,0,0]=4 240 B16R0.303 CCCCCC/C=C/C=C/COCCCC=O 7a_200028454808_200011292268 [1,0,0,0,0,0|1,0,2]=4 241 B16R0.303 CCCCCCCC/C=C/COCCCC#N 7a_200020667288_100000687738 [1,0,0,0,0,0|2,0,1]=4 242 B16R0.303 CCCCCCCC/C=C/COCCCC=O 7a_200020667288_200011292268 [1,0,0,0,0,0|1,0,0]=2 243 B16R0.303 CCCCCCCC/C=C/COCCCCO 34a_200020667288_100011216708 [1,0,0,0,0,0|1,0,1]=3 244 B16R0.303 CCCCCCCC/C=C/COCCCCO 7a_200020667288_100000210776 [1,0,0,0,0,0|1,0,1]=3 245 B16R0.303 CCCCCCCC/C=C/COCCCOC 34a_200020667288_100000740836 [1,0,0,0,0,0|3,0,0]=4 246 B16R0.303 CCCCCCCC/C=C/COCCCOC 7a_200020667288_100000740836 [1,0,0,0,0,0|3,0,0]=4 247 B16R0.303 CCCCCCCCCCCCCNCC=O 2230a_100011215765_200015260668 [1,0,0,0,0,0|1,0,2]=4 248 B16R0.303 CCCCCCCCCCCCCNCC=O 34a_100011215765_200009817547 [1,0,0,0,0,0|1,0,2]=4 249 B16R0.303 CCCCCCCCCCCCCOCC=O 34a_100000185773_200009817547 [1,0,0,0,0,0|1,0,2]=4 250 B16R0.303 CCCCCCCCCCCCCOCC=O 7a_100000185773_200015260668 [1,0,0,0,0,0|1,0,2]=4 251 B16R0.303 CCCCCCCCCCCNCCCC=O 2230a_200011215754_200011292268 [1,0,0,0,0,0|1,0,2]=4 252 B16R0.303 CCCCCCCCCCCOCCCC=O 7a_100000210809_200011292268 [1,0,0,0,0,0|1,0,2]=4 253 B16R0.303 CCCCCCCCCCNCCCCC=O 2230a_100000684558_100000139335 [1,0,0,0,0,0|1,0,2]=4 254 B16R0.303 CCCCCCCCCCOCCCCC=O 7a_100000210711_100000139335 [1,0,0,0,0,0|1,0,2]=4 255 B16R0.303 CCCCCCCCCNCCCCCC=O 2230a_100000212291_100000139337 [1,0,0,0,0,0|1,0,1]=3 256 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000212291_100000766143 [1,0,0,0,0,0|1,0,2]=4 257 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000686447_100011214924 [1,0,0,0,0,0|1,0,2]=4 258 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000212291_100000766143 [1,0,0,0,0,0|1,0,2]=4 259 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000686447_100011214924 [1,0,0,0,0,0|1,0,2]=4 260 B16R0.303 CCCCCCCCCOCCCCCC=O 7a_100000210712_100000139337 [1,0,0,0,0,0|1,0,1]=3 261 B16R0.303 CCCCCCCCCOCCCCCCO 34a_100000210712_100000766143 [1,0,0,0,0,0|1,0,2]=4 262 B16R0.303 CCCCCCCCCOCCCCCCO 7a_100000210712_100000766143 [1,0,0,0,0,0|1,0,2]=4 263 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100000229939_100000760002 [1,0,0,0,0,0|1,0,2]=4 264 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100011996573_100000210759 [1,0,0,0,0,0|1,0,2]=4 265 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100000229939_100000760002 [1,0,0,0,0,0|1,0,2]=4 266 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100011996573_100000210759 [1,0,0,0,0,0|1,0,2]=4 267 B16R0.303 CCCCCCCCOCCCCCCCO 34a_100000210232_100000760002 [1,0,0,0,0,0|1,0,2]=4 268 B16R0.303 CCCCCCCCOCCCCCCCO 7a_100000210232_100000760002 [1,0,0,0,0,0|1,0,2]=4 269 B16R0.303 CCCCCCOCCOCCCCCC=O 7a_100000691444_100000139337 [1,0,0,0,0,0|2,0,1]=4 270 B16R0.303 CCCCOCCCCOCCCCCC=O 7a_200000760531_100000139337 [1,0,0,0,0,0|2,0,1]=4 271 B16R0.303 O=CCCCCCNCCCCCCCCO 2230a_102515433106_100000139337 [1,0,0,0,0,0|2,0,1]=4 272 B16R0.303 O=CCCCCCOCCCCCCCCBr 7a_100009813846_100000139337 [1,0,0,0,0,0|2,0,1]=4 273 B16R0.303 O=CCCCCCOCCCCCCCCCl 7a_100000033203_100000139337 [1,0,0,0,0,0|2,0,1]=4 274 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000033203_100000139337 [1,0,0,0,0,0|2,0,1]=4 275 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000139337_100000033203 [1,0,0,0,0,0|2,0,1]=4 276 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 34a_200011021034_100009817443 [0,1,0,0,0,0|2,0,1]=4 277 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 7a_200011021034_100009817443 [0,1,0,0,0,0|2,0,1]=4 278 B18R0.94 CCCCCCCCC(=O)CCCCCCB(O)O 1458a_100000210188_100009817187 [0,1,0,0,0,0|1,0,2]=4 279 B18R0.94 CCCCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210759 [0,1,0,0,0,0|2,0,1]=4 280 B18R0.94 CCCCCCCCC(=O)CCCCCOC(=O)C 1458a_100000210188_100000033007 [0,1,0,0,0,0|2,0,1]=4 281 B18R0.94 CCCCCCCCC(=O)NCCCCNC(=O)C 11a_200011368371_100000210188 [0,1,0,0,0,0|3,0,0]=4 282 B18R0.94 CCCCCCCCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000210188 [0,1,0,0,0,0|3,0,0]=4 283 B18R0.94 CCCCCCCCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000210188 [0,1,0,0,0,0|3,0,0]=4 284 B18R0.94 CCCCCCCCC(=O)NCCCCNC(=O)C 527a_200011368371_100000210188 [0,1,0,0,0,0|3,0,0]=4 285 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 34a_100000210740_100009817443 [0,1,0,0,0,0|2,0,1]=4 286 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 7a_100000210740_100009817443 [0,1,0,0,0,0|2,0,1]=4 287 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 34a_200011024964_100009817443 [0,1,0,0,0,0|2,0,1]=4 288 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 7a_200011024964_100009817443 [0,1,0,0,0,0|2,0,1]=4 289 B18R0.171 C=CC(=O)OCCOC/C=C/CCCCCCCC 34a_200020667288_100009813456 [0,1,0,0,0,0|3,0,0]=4 290 B18R0.171 C=CC(=O)OCCOC/C=C/CCCCCCCC 7a_200020667288_100009813456 [0,1,0,0,0,0|3,0,0]=4 291 B18R0.171 CCCCCC/C=C/C=C/COCCCC(=O)OC 34a_200028454808_100000742333 [0,1,0,0,0,0|1,0,2]=4 292 B18R0.171 CCCCCC/C=C/C=C/COCCCC(=O)OC 7a_200028454808_100011218270 [0,1,0,0,0,0|1,0,2]=4 293 B18R0.171 CCCCCCC/C=C/C=C/COCCC(=O)OC 34a_200025756345_100000742370 [0,1,0,0,0,0|1,0,2]=4 294 B18R0.171 CCCCCCC/C=C/C=C/COCCC(=O)OC 7a_200025756345_100000204255 [0,1,0,0,0,0|1,0,2]=4 295 B18R0.171 CCCCCCCC/C=C/COC/C=C/C(=O)OC 34a_200020667288_100000742655 [0,1,0,0,0,0|1,0,2]=4 296 B18R0.171 CCCCCCCC/C=C/COC/C=C/C(=O)OC 7a_200020667288_100000742655 [0,1,0,0,0,0|1,0,2]=4 297 B18R0.171 CCCCCCCC/C=C/COCCCC(=O)NC 34a_200020667288_100000741757 [0,1,0,0,0,0|2,0,0]=3 298 B18R0.171 CCCCCCCC/C=C/COCCCC(=O)NC 7a_200020667288_100000741757 [0,1,0,0,0,0|2,0,0]=3 299 B18R0.171 CCCCCCCC/C=C/COCCCC(=O)OC 34a_200020667288_100000742333 [0,1,0,0,0,0|1,0,0]=2 300 B18R0.171 CCCCCCCC/C=C/COCCCC(=O)OC 7a_200020667288_100011218270 [0,1,0,0,0,0|1,0,0]=2 301 B18R0.171 CCCCCCCC/C=C/COCCOC(=O)NC 34a_200020667288_200011997002 [0,1,0,0,0,0|3,0,0]=4 302 B18R0.171 CCCCCCCC/C=C/COCCOC(=O)NC 7a_200020667288_200011997002 [0,1,0,0,0,0|3,0,0]=4 303 B18R0.171 CCCCCCCCC/C=C/COCCC(=O)OC 34a_100015232335_100000742370 [0,1,0,0,0,0|1,0,2]=4 304 B18R0.171 CCCCCCCCC/C=C/COCCC(=O)OC 7a_100015232335_100000204255 [0,1,0,0,0,0|1,0,2]=4 305 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 240690a_100011217771_100000210174 [0,1,0,0,0,0|1,0,2]=4 306 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 527a_100011217771_100000210174 [0,1,0,0,0,0|1,0,2]=4 307 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 2230a_100011215765_100000747449 [0,1,0,0,0,0|1,0,2]=4 308 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 34a_100011215765_100000747449 [0,1,0,0,0,0|1,0,2]=4 309 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 34a_100000185773_100000747449 [0,1,0,0,0,0|1,0,2]=4 310 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 7a_100000185773_100000747449 [0,1,0,0,0,0|1,0,2]=4 311 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 2230a_100000210451_100000204255 [0,1,0,0,0,0|1,0,2]=4 312 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 34a_100000210451_100000742370 [0,1,0,0,0,0|1,0,2]=4 313 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 34a_100000210810_100000742370 [0,1,0,0,0,0|1,0,2]=4 314 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 7a_100000210810_100000204255 [0,1,0,0,0,0|1,0,2]=4 315 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 2230a_200011215754_100011218270 [0,1,0,0,0,0|1,0,2]=4 316 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 34a_200011215754_100000742333 [0,1,0,0,0,0|1,0,2]=4 317 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 34a_100000210809_100000742333 [0,1,0,0,0,0|1,0,2]=4 318 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 7a_100000210809_100011218270 [0,1,0,0,0,0|1,0,2]=4 319 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 2230a_100000684558_100000204269 [0,1,0,0,0,0|1,0,2]=4 320 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 34a_100000684558_100000204269 [0,1,0,0,0,0|1,0,2]=4 321 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210320 [0,1,0,0,0,0|1,0,2]=4 322 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000210711_100000204269 [0,1,0,0,0,0|1,0,2]=4 323 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210320 [0,1,0,0,0,0|1,0,2]=4 324 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000210711_100000204269 [0,1,0,0,0,0|1,0,2]=4 325 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 2230a_100000212291_100009816466 [0,1,0,0,0,0|1,0,1]=3 326 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 34a_100000212291_100009816466 [0,1,0,0,0,0|1,0,1]=3 327 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011214924 [0,1,0,0,0,0|1,0,1]=3 328 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000210712_100009816466 [0,1,0,0,0,0|1,0,1]=3 329 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210328 [0,1,0,0,0,0|1,0,1]=3 330 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000210712_100009816466 [0,1,0,0,0,0|1,0,1]=3 331 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 2230a_100000229939_100009815986 [0,1,0,0,0,0|1,0,1]=3 332 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 34a_100000229939_100009815986 [0,1,0,0,0,0|1,0,1]=3 333 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100000210232_100009815986 [0,1,0,0,0,0|1,0,1]=3 334 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210759 [0,1,0,0,0,0|1,0,1]=3 335 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100000210232_100009815986 [0,1,0,0,0,0|1,0,1]=3 336 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210759 [0,1,0,0,0,0|1,0,1]=3 337 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [0,1,0,0,0,0|1,0,2]=4 338 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [0,1,0,0,0,0|1,0,2]=4 339 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [0,1,0,0,0,0|1,0,2]=4 340 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [0,1,0,0,0,0|1,0,2]=4 341 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [0,1,0,0,0,0|1,0,2]=4 342 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [0,1,0,0,0,0|1,0,2]=4 343 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [0,1,0,0,0,0|1,0,2]=4 344 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [0,1,0,0,0,0|1,0,2]=4 345 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [0,1,0,0,0,0|1,0,2]=4 346 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [0,1,0,0,0,0|1,0,2]=4 347 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 34a_100000691444_100009816466 [0,1,0,0,0,0|2,0,1]=4 348 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 7a_100000691444_100009816466 [0,1,0,0,0,0|2,0,1]=4 349 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC 2230a_100000209983_100009813843 [0,1,0,0,0,0|1,0,2]=4 350 B18R0.171 CCCCCNCCOCCCCCCC(=O)OC 34a_100000224656_100009815986 [0,1,0,0,0,0|2,0,1]=4 351 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 34a_100000210253_100009813843 [0,1,0,0,0,0|1,0,2]=4 352 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 7a_100000210253_100009813843 [0,1,0,0,0,0|1,0,2]=4 353 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 34a_100011215259_100009815986 [0,1,0,0,0,0|2,0,1]=4 354 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 7a_100011215259_100009815986 [0,1,0,0,0,0|2,0,1]=4 355 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 2230a_100000102301_100009812566 [0,1,0,0,0,0|1,0,2]=4 356 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 7a_106832991798_100009812566 [0,1,0,0,0,0|1,0,2]=4 357 B18R0.171 CCCCNCCCCOCCCCCC(=O)OC 34a_200011216965_100009816466 [0,1,0,0,0,0|2,0,1]=4 358 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100000210227_100009812566 [0,1,0,0,0,0|1,0,2]=4 359 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210210 [0,1,0,0,0,0|1,0,2]=4 360 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100000210227_100009812566 [0,1,0,0,0,0|1,0,2]=4 361 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210211 [0,1,0,0,0,0|1,0,2]=4 362 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 34a_200000760531_100009816466 [0,1,0,0,0,0|2,0,1]=4 363 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 7a_200000760531_100009816466 [0,1,0,0,0,0|2,0,1]=4 364 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 2230a_200000211371_100009815986 [0,1,0,0,0,0|2,0,1]=4 365 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 34a_200000211371_100009815986 [0,1,0,0,0,0|2,0,1]=4 366 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 34a_200011215613_100009815986 [0,1,0,0,0,0|2,0,1]=4 367 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 7a_200011215613_100009815986 [0,1,0,0,0,0|2,0,1]=4 368 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC 34a_100000210258_100010983606 [0,1,0,0,0,0|1,0,2]=4 369 B18R0.171 CCNCCCCCCCCCCCCC(=O)OC 2230a_100015525214_209314222159 [0,1,0,0,0,0|1,0,2]=4 370 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC 34a_100121572206_209314222159 [0,1,0,0,0,0|1,0,2]=4 371 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 2230a_100011996573_100009815986 [0,1,0,0,0,0|2,0,1]=4 372 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 34a_100011996573_100009815986 [0,1,0,0,0,0|2,0,1]=4 373 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 34a_100000760002_100009815986 [0,1,0,0,0,0|2,0,1]=4 374 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 7a_100000760002_100009815986 [0,1,0,0,0,0|2,0,1]=4 375 B18R0.171 COC(=O)CCCCCCOCCCCCCCN 34a_100011996573_100009815986 [0,1,0,0,0,0|2,0,1]=4 376 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 34a_100009863599_100000760002 [0,1,0,0,0,0|2,0,1]=4 377 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 7a_100009863599_100000760002 [0,1,0,0,0,0|2,0,1]=4 378 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100000760002_100009815986 [0,1,0,0,0,0|2,0,1]=4 379 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100009815986_100000760002 [0,1,0,0,0,0|2,0,1]=4 380 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009816466 [0,1,0,0,0,0|2,0,1]=4 381 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009816466 [0,1,0,0,0,0|2,0,1]=4 382 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009816466 [0,1,0,0,0,0|2,0,1]=4 383 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009816466 [0,1,0,0,0,0|2,0,1]=4 384 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009816466 [0,1,0,0,0,0|2,0,1]=4 385 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009816466 [0,1,0,0,0,0|2,0,1]=4 386 B18R0.171 COC(=O)CCCCCOCCCCCCCCN 34a_102515433106_100009816466 [0,1,0,0,0,0|2,0,1]=4 387 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 34a_100000074720_100000033203 [0,1,0,0,0,0|2,0,1]=4 388 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 7a_100000074720_100000033203 [0,1,0,0,0,0|2,0,1]=4 389 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009816466 [0,1,0,0,0,0|2,0,1]=4 390 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100009816466_100000033203 [0,1,0,0,0,0|2,0,1]=4 391 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100011998445 [0,1,0,0,0,0|2,0,1]=4 392 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_200012092642_100009815986 [0,1,0,0,0,0|2,0,1]=4 393 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100011998445 [0,1,0,0,0,0|2,0,1]=4 394 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_200012092642_100009815986 [0,1,0,0,0,0|2,0,1]=4 395 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100011998445 [0,1,0,0,0,0|2,0,1]=4 396 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100011998445_100009815986 [0,1,0,0,0,0|2,0,1]=4 397 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [0,1,0,0,0,0|1,0,2]=4 398 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [0,1,0,0,0,0|1,0,2]=4 399 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [0,1,0,0,0,0|1,0,2]=4 400 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)C 34a_200028454808_100009817362 [0,1,0,0,0,0|1,0,2]=4 401 B18R0.176 CCCCCC/C=C/C=C/COCCCCC(=O)C 7a_200028454808_100000735457 [0,1,0,0,0,0|1,0,2]=4 402 B18R0.176 CCCCCCC/C=C/C=C/COCCCC(=O)C 34a_200025756345_100000685027 [0,1,0,0,0,0|1,0,2]=4 403 B18R0.176 CCCCCCC/C=C/C=C/COCCCC(=O)C 7a_200025756345_100011215641 [0,1,0,0,0,0|1,0,2]=4 404 B18R0.176 CCCCCCC/C=C/C=C/COCCCC(=O)N 34a_200025756345_100102525003 [0,1,0,0,0,0|1,0,2]=4 405 B18R0.176 CCCCCCC/C=C/C=C/COCCCC(=O)N 7a_200025756345_100102525003 [0,1,0,0,0,0|1,0,2]=4 406 B18R0.176 CCCCCCCC/C=C/COCCCCB(O)O 34a_200020667288_200009817182 [0,1,0,0,0,0|1,0,1]=3 407 B18R0.176 CCCCCCCC/C=C/COCCCCB(O)O 7a_200020667288_200009817182 [0,1,0,0,0,0|1,0,1]=3 408 B18R0.176 CCCCCCCC/C=C/COCCCOC(=O)C 34a_200020667288_100000042594 [0,1,0,0,0,0|2,0,0]=3 409 B18R0.176 CCCCCCCC/C=C/COCCCOC(=O)C 7a_200020667288_100000042594 [0,1,0,0,0,0|2,0,0]=3 410 B18R0.176 CCCCCCCC/C=C/COCCCSC(=O)C 34a_200020667288_100000038929 [0,1,0,0,0,0|2,0,0]=3 411 B18R0.176 CCCCCCCC/C=C/COCCCSC(=O)C 7a_200020667288_100000038929 [0,1,0,0,0,0|2,0,0]=3 412 B18R0.176 CCCCCCCC/C=C/COCCOCC(=O)N 34a_200020667288_100000076697 [0,1,0,0,0,0|2,0,0]=3 413 B18R0.176 CCCCCCCC/C=C/COCCOCC(=O)N 7a_200020667288_100000076697 [0,1,0,0,0,0|2,0,0]=3 414 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)N 34a_100015232335_100102525003 [0,1,0,0,0,0|2,0,0]=3 415 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)N 7a_100015232335_100102525003 [0,1,0,0,0,0|2,0,0]=3 416 B18R0.176 CCCCCCCCC/C=C/COCCCC(C)O 34a_100015232335_200000718107 [0,1,0,0,0,0|2,0,1]=4 417 B18R0.176 CCCCCCCCC/C=C/COCCCC(C)O 7a_100015232335_200000718107 [0,1,0,0,0,0|2,0,1]=4 418 B18R0.176 CCCCCCCCC/C=C/COCCNC(=O)C 7a_100015232335_100000189650 [0,1,0,0,0,0|3,0,0]=4 419 B18R0.176 CCCCCCCCC/C=C/COCCNC(=O)N 7a_100015232335_200000034859 [0,1,0,0,0,0|3,0,0]=4 420 B18R0.176 CCCCCCCCC/C=C/COCCOC(=O)C 34a_100015232335_100009814007 [0,1,0,0,0,0|3,0,0]=4 421 B18R0.176 CCCCCCCCC/C=C/COCCOC(=O)C 7a_100015232335_100009814007 [0,1,0,0,0,0|3,0,0]=4 422 B18R0.176 CCCCCCCCC/C=C/COCCOC(=O)N 34a_100015232335_200011214921 [0,1,0,0,0,0|3,0,0]=4 423 B18R0.176 CCCCCCCCC/C=C/COCCOC(=O)N 7a_100015232335_200011214921 [0,1,0,0,0,0|3,0,0]=4 424 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011214924 [0,1,0,0,0,0|2,0,1]=4 425 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011214924 [0,1,0,0,0,0|2,0,1]=4 426 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 2230a_100000212291_100009813381 [0,1,0,0,0,0|2,0,1]=4 427 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 34a_100000212291_100000033007 [0,1,0,0,0,0|2,0,1]=4 428 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 34a_100000210712_100000033007 [0,1,0,0,0,0|2,0,1]=4 429 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 7a_100000210712_100000033007 [0,1,0,0,0,0|2,0,1]=4 430 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210759 [0,1,0,0,0,0|2,0,1]=4 431 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210759 [0,1,0,0,0,0|2,0,1]=4 432 B18R0.182 CCCCCCCC/C=C/COCCCC(C)(C)O 34a_200020667288_100009888830 [0,1,0,0,0,0|2,0,1]=4 433 B18R0.182 CCCCCCCC/C=C/COCCCC(C)(C)O 7a_200020667288_100009888830 [0,1,0,0,0,0|2,0,1]=4 434 B18R0.182 CCCCCCCC/C=C/COCCCS(=O)(=O)C 34a_200020667288_100000754308 [0,1,0,0,0,0|2,0,1]=4 435 B18R0.182 CCCCCCCC/C=C/COCCCS(=O)(=O)C 7a_200020667288_100000754308 [0,1,0,0,0,0|2,0,1]=4 436 B18R0.182 CCCCCCCC/C=C/COCCCS(=O)(=O)N 34a_200020667288_100000750626 [0,1,0,0,0,0|2,0,1]=4 437 B18R0.182 CCCCCCCC/C=C/COCCCS(=O)(=O)N 7a_200020667288_100000750626 [0,1,0,0,0,0|2,0,1]=4 438 B18R0.182 CCCCCCCC/C=C/COCCCS(=O)(=O)[O-] 34a_200020667288_100009813499 [0,1,0,0,0,0|2,0,1]=4 439 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [0,1,0,0,0,0|1,0,2]=4 440 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [0,1,0,0,0,0|1,0,2]=4 441 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [0,1,0,0,0,0|1,0,2]=4 442 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 34a_200000210741_100009817443 [0,1,0,0,0,0|2,0,1]=4 443 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 7a_200000210741_100009817443 [0,1,0,0,0,0|2,0,1]=4 444 B18R0.11628 CCCCCCCC=CC(=O)CCCCCB(O)O 1458a_200015332781_200009817188 [0,1,0,0,0,0|1,0,2]=4 445 B18R0.11628 CCCCCCCC=CC(=O)CCCCCC(=O)N 1458a_200015332781_100009817443 [0,1,0,0,0,0|1,0,1]=3 446 B18R0.11628 CCCCCCCC=CC(=O)CCCCOC(=O)C 1458a_200015332781_100000033659 [0,1,0,0,0,0|2,0,1]=4 447 B18R0.11628 CCCCCCCC=CC(=O)CCCCSC(=O)C 1458a_200015332781_200010402107 [0,1,0,0,0,0|2,0,1]=4 448 B18R0.11628 CCCCCCCC=CC(=O)NCCCCC(=O)N 11a_100000696515_200015332781 [0,1,0,0,0,0|2,0,1]=4 449 B18R0.11628 CCCCCCCC=CC(=O)NCCCCC(=O)N 1626a_100000696515_200015332781 [0,1,0,0,0,0|2,0,1]=4 450 B18R0.11628 CCCCCCCC=CC(=O)NCCCCC(=O)N 240690a_100000696515_200015332781 [0,1,0,0,0,0|2,0,1]=4 451 B18R0.11628 CCCCCCCCCC(=O)CCCCCB(O)O 1458a_100000210558_200009817188 [0,1,0,0,0,0|1,0,2]=4 452 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210558_100009817443 [0,1,0,0,0,0|1,0,1]=3 453 B18R0.11628 CCCCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210670 [0,1,0,0,0,0|1,0,2]=4 454 B18R0.11628 CCCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210558_100000033659 [0,1,0,0,0,0|2,0,1]=4 455 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210558 [0,1,0,0,0,0|2,0,1]=4 456 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210558 [0,1,0,0,0,0|2,0,1]=4 457 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210558 [0,1,0,0,0,0|2,0,1]=4 458 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210558 [0,1,0,0,0,0|2,0,1]=4 459 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 2230a_100000232482_100009817443 [0,1,0,0,0,0|2,0,1]=4 460 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 269982a_100000232482_100009817443 [0,1,0,0,0,0|2,0,1]=4 461 B18R0.11628 CCCCCCCCNC(=O)CCCCC[N+](=O)[O-] 11a_100000229939_100000043470 [0,1,0,0,0,0|2,0,1]=4 462 B18R0.11628 CCCCCCCCNC(=O)CCCCC[N+](=O)[O-] 1626a_100000229939_100000043470 [0,1,0,0,0,0|2,0,1]=4 463 B18R0.11628 CCCCCCCCNC(=O)CCCCC[N+](=O)[O-] 240690a_100000229939_100000043470 [0,1,0,0,0,0|2,0,1]=4 464 B18R0.11628 CCCCCCCCNC(=O)CCCCC[N+](=O)[O-] 527a_100000229939_100000043470 [0,1,0,0,0,0|2,0,1]=4 465 B18R0.11628 CCCCCCCCNC(=O)NCCCCC(=O)N 273464a_100000229939_100000696515 [0,1,0,0,0,0|3,0,0]=4 466 B18R0.11628 CCCCCCCCNC(=O)NCCCCC(=O)N 273464a_100000696515_100000229939 [0,1,0,0,0,0|3,0,0]=4 467 B18R0.11628 CCCCCCCCNC(=O)NCCCCC(=O)N 512a_100000229939_100000696515 [0,1,0,0,0,0|3,0,0]=4 468 B18R0.11628 CCCCCCCCNC(=O)NCCCCC(=O)N 512a_100000696515_100000229939 [0,1,0,0,0,0|3,0,0]=4 469 B18R0.17430 CCCCCCCCC=CC(=O)CCCCB(O)O 1458a_100015345288_200009817182 [0,1,0,0,0,0|1,0,2]=4 470 B18R0.17430 CCCCCCCCC=CC(=O)CCCOC(=O)C 1458a_100015345288_100000042594 [0,1,0,0,0,0|2,0,1]=4 471 B18R0.17430 CCCCCCCCC=CC(=O)CCCSC(=O)C 1458a_100015345288_100000038929 [0,1,0,0,0,0|2,0,1]=4 472 B18R0.17430 CCCCCCCCC=CC(=O)CCOCC(=O)N 1458a_100015345288_100000076697 [0,1,0,0,0,0|2,0,1]=4 473 B18R0.17430 CCCCCCCCC=CC(=O)NCCCC(=O)N 240690a_100000739312_100015345288 [0,1,0,0,0,0|2,0,1]=4 474 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [0,1,0,0,0,0|1,0,2]=4 475 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 34a_100011217265_100009817443 [0,0,0,1,0,0|2,0,1]=4 476 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 7a_100011217265_100009817443 [0,0,0,1,0,0|2,0,1]=4 477 B18R1.1108 CCCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100011214924 [0,0,0,1,0,0|2,0,1]=4 478 B18R1.1260 CCCCCCCC/C=C/COC1COC(=O)O1 34a_200020667288_100000032252 [0,0,0,1,0,0|2,0,0]=3 479 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [0,0,0,1,0,0|1,0,2]=4 480 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100011214924 [0,0,0,1,0,0|2,0,1]=4 481 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210670 [0,0,0,1,0,0|2,0,1]=4 482 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100011214924 [0,0,0,1,0,0|2,0,1]=4 483 B18R1.5438 CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210670 [0,0,0,1,0,0|1,0,1]=3 484 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210670 [0,0,0,1,0,0|2,0,1]=4 485 B18R1.5438 CCCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210670 [0,0,0,1,0,0|2,0,1]=4 486 B18R1.5438 CCCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210670 [0,0,0,1,0,0|2,0,1]=4 487 B18R1.5438 CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210759 [0,0,0,1,0,0|1,0,1]=3 488 B18R1.5438 COCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011998445 [0,0,0,1,0,0|2,0,1]=4 489 B18R1.5438 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCCO 269956a_100009816435_100000760002 [0,0,0,1,0,0|2,0,1]=4 490 B18R1.5438 O=C(O)[C@H]1CCCCN1CCCCCCCCO 269956a_100000763471_100000033203 [0,0,0,1,0,0|2,0,1]=4 491 B18R1.8743 CCCCCCCC/C=C/COCC1CC(=O)C1 7a_200020667288_100009874392 [0,0,0,1,0,0|2,0,0]=3 492 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210759 [0,0,0,1,0,0|2,0,1]=4 493 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210759 [0,0,0,1,0,0|2,0,1]=4 494 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210759 [0,0,0,1,0,0|2,0,1]=4 495 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 2230a_100011211642_100009817443 [0,0,0,1,0,0|2,0,1]=4 496 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 34a_100011211642_100009817443 [0,0,0,1,0,0|2,0,1]=4 497 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000123541_100011713725 [0,0,0,1,0,0|2,0,1]=4 498 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000198086_100009817443 [0,0,0,1,0,0|2,0,1]=4 499 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000123541_100011713725 [0,0,0,1,0,0|2,0,1]=4 500 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000198086_100009817443 [0,0,0,1,0,0|2,0,1]=4 501 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100009817443_100011713725 [0,0,0,1,0,0|2,0,1]=4 502 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100011713725_100009817443 [0,0,0,1,0,0|2,0,1]=4 503 B18R1.10603 O=C([O-])CCCCCOCCCC1CCCCC1 7a_100102619762_100011713725 [0,0,0,1,0,0|1,0,2]=4 504 B18R1.13035 CCCCCCCC/C=C/COCCCC1CO1 34a_200020667288_100000733510 [0,0,0,1,0,0|2,0,1]=4 505 B18R1.13035 CCCCCCCC/C=C/COCCCC1CO1 7a_200020667288_100000733510 [0,0,0,1,0,0|2,0,1]=4 506 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [0,0,0,1,0,0|1,0,2]=4 507 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210320 [0,0,0,1,0,0|1,0,2]=4 508 B18R1.22565 CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210759 [0,0,0,1,0,0|1,0,1]=3 509 B18R1.22565 COCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011998445 [0,0,0,1,0,0|2,0,1]=4 510 B18R1.22565 O=C(O)C1CCCCCN1CCCCCCCO 269956a_100000758484_100000760002 [0,0,0,1,0,0|2,0,1]=4 511 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [0,0,0,1,0,0|1,0,2]=4 512 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 34a_100011216312_100009817443 [0,0,0,1,0,0|2,0,1]=4 513 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 7a_100011216312_100009817443 [0,0,0,1,0,0|2,0,1]=4 514 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 2230a_100011532351_100009817443 [0,0,0,1,0,0|2,0,1]=4 515 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 34a_100011532351_100009817443 [0,0,0,1,0,0|2,0,1]=4 516 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [2,0,0,0,0,0|2,0,0]=4 517 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [2,0,0,0,0,0|2,0,0]=4 518 B15R0.70 C=CCCOC/C=C/CCCCCCCC 34a_200020667288_100000754431 [2,0,0,0,0,0|1,0,1]=4 519 B15R0.70 C=CCCOC/C=C/CCCCCCCC 7a_200020667288_100000754431 [2,0,0,0,0,0|1,0,1]=4 520 B15R0.70 CCCCCCCC/C=C/COCCCF 34a_200020667288_100011934791 [2,0,0,0,0,0|2,0,0]=4 521 B15R0.70 CCCCCCCC/C=C/COCCCF 7a_200020667288_100011934791 [2,0,0,0,0,0|2,0,0]=4 522 B15R0.70 CCCCCCCC/C=C/COCCCO 34a_200020667288_100000230001 [2,0,0,0,0,0|1,0,0]=3 523 B15R0.70 CCCCCCCC/C=C/COCCCO 7a_200020667288_100011215043 [2,0,0,0,0,0|1,0,0]=3 524 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [2,0,0,0,0,0|1,0,1]=4 525 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [2,0,0,0,0,0|1,0,1]=4 526 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [2,0,0,0,0,0|1,0,1]=4 527 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [2,0,0,0,0,0|1,0,1]=4 528 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [2,0,0,0,0,0|1,0,1]=4 529 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [2,0,0,0,0,0|1,0,1]=4 530 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [2,0,0,0,0,0|1,0,1]=4 531 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [2,0,0,0,0,0|1,0,1]=4 532 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [2,0,0,0,0,0|1,0,1]=4 533 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000212291_100000746330 [2,0,0,0,0,0|1,0,1]=4 534 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000762737_100011214924 [2,0,0,0,0,0|1,0,1]=4 535 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000212291_100000746330 [2,0,0,0,0,0|1,0,1]=4 536 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000762737_100011214924 [2,0,0,0,0,0|1,0,1]=4 537 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [2,0,0,0,0,0|1,0,1]=4 538 B15R0.70 CCCCCCCCCOCCCCCO 34a_100000210712_100000746330 [2,0,0,0,0,0|1,0,1]=4 539 B15R0.70 CCCCCCCCCOCCCCCO 7a_100000210712_100000746330 [2,0,0,0,0,0|1,0,1]=4 540 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [2,0,0,0,0,0|1,0,1]=4 541 B15R0.70 CCCCCCCCCSCCCCCO 62a_100000746330_100000210670 [2,0,0,0,0,0|1,0,1]=4 542 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [2,0,0,0,0,0|1,0,0]=3 543 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000229939_100000766143 [2,0,0,0,0,0|1,0,1]=4 544 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000686447_100000210759 [2,0,0,0,0,0|1,0,1]=4 545 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000229939_100000766143 [2,0,0,0,0,0|1,0,1]=4 546 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000686447_100000210759 [2,0,0,0,0,0|1,0,1]=4 547 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [2,0,0,0,0,0|1,0,0]=3 548 B15R0.70 CCCCCCCCOCCCCCCO 34a_100000210232_100000766143 [2,0,0,0,0,0|1,0,1]=4 549 B15R0.70 CCCCCCCCOCCCCCCO 7a_100000210232_100000766143 [2,0,0,0,0,0|1,0,1]=4 550 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [2,0,0,0,0,0|1,0,0]=3 551 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [2,0,0,0,0,0|1,0,0]=3 552 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000210759_100000766143 [2,0,0,0,0,0|1,0,1]=4 553 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000766143_100000210317 [2,0,0,0,0,0|1,0,1]=4 554 B15R0.70 CCCCCOCCOCCCCCC=O 7a_100011215259_100000139337 [2,0,0,0,0,0|2,0,0]=4 555 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [2,0,0,0,0,0|2,0,0]=4 556 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [2,0,0,0,0,0|2,0,0]=4 557 B15R0.70 COCCCCCCOCCCCCC=O 7a_200012092642_100000139337 [2,0,0,0,0,0|2,0,0]=4 558 B15R0.70 COCCCCCCSCCCCCC=O 62a_100000139337_100011998445 [2,0,0,0,0,0|2,0,0]=4 559 B15R0.70 COCCCCCCSCCCCCC=O 62a_100011998445_100000139337 [2,0,0,0,0,0|2,0,0]=4 560 B15R0.70 O=CCCCCCNCCCCCCCO 2230a_100011996573_100000139337 [2,0,0,0,0,0|2,0,0]=4 561 B15R0.70 O=CCCCCCOCCCCCCCBr 7a_100000760002_100000139337 [2,0,0,0,0,0|2,0,0]=4 562 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000139337_100000760002 [2,0,0,0,0,0|2,0,0]=4 563 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000760002_100000139337 [2,0,0,0,0,0|2,0,0]=4 564 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [2,0,0,0,0,0|2,0,0]=4 565 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [2,0,0,0,0,0|2,0,0]=4 566 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [2,0,0,0,0,0|2,0,0]=4 567 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 34a_200016276170_100102525003 [2,0,0,0,0,0|2,0,0]=4 568 B15R0.164 CCCCCC/C=C/COCCCC(=O)N 7a_200016276170_100102525003 [2,0,0,0,0,0|2,0,0]=4 569 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [2,0,0,0,0,0|2,0,0]=4 570 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [2,0,0,0,0,0|2,0,0]=4 571 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [2,0,0,0,0,0|1,0,1]=4 572 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [2,0,0,0,0,0|2,0,0]=4 573 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [2,0,0,0,0,0|2,0,0]=4 574 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [2,0,0,0,0,0|2,0,0]=4 575 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [2,0,0,0,0,0|2,0,0]=4 576 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [2,0,0,0,0,0|2,0,0]=4 577 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [2,0,0,0,0,0|2,0,0]=4 578 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [2,0,0,0,0,0|2,0,0]=4 579 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [2,0,0,0,0,0|1,0,0]=3 580 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [2,0,0,0,0,0|1,0,1]=4 581 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [2,0,0,0,0,0|2,0,0]=4 582 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [2,0,0,0,0,0|2,0,0]=4 583 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [2,0,0,0,0,0|2,0,0]=4 584 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [2,0,0,0,0,0|1,0,1]=4 585 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [2,0,0,0,0,0|2,0,0]=4 586 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [2,0,0,0,0,0|1,0,1]=4 587 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [2,0,0,0,0,0|2,0,0]=4 588 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [2,0,0,0,0,0|2,0,0]=4 589 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [2,0,0,0,0,0|2,0,0]=4 590 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 591 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [2,0,0,0,0,0|2,0,0]=4 592 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [2,0,0,0,0,0|2,0,0]=4 593 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [2,0,0,0,0,0|2,0,0]=4 594 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [2,0,0,0,0,0|2,0,0]=4 595 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [2,0,0,0,0,0|2,0,0]=4 596 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [2,0,0,0,0,0|2,0,0]=4 597 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [2,0,0,0,0,0|2,0,0]=4 598 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [2,0,0,0,0,0|2,0,0]=4 599 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [2,0,0,0,0,0|2,0,0]=4 600 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [2,0,0,0,0,0|2,0,0]=4 601 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [2,0,0,0,0,0|2,0,0]=4 602 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [2,0,0,0,0,0|2,0,0]=4 603 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [2,0,0,0,0,0|2,0,0]=4 604 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [2,0,0,0,0,0|2,0,0]=4 605 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [2,0,0,0,0,0|2,0,0]=4 606 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [2,0,0,0,0,0|2,0,0]=4 607 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [2,0,0,0,0,0|2,0,0]=4 608 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [2,0,0,0,0,0|2,0,0]=4 609 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [2,0,0,0,0,0|2,0,0]=4 610 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [2,0,0,0,0,0|2,0,0]=4 611 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [2,0,0,0,0,0|2,0,0]=4 612 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [2,0,0,0,0,0|2,0,0]=4 613 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [2,0,0,0,0,0|2,0,0]=4 614 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [2,0,0,0,0,0|2,0,0]=4 615 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [2,0,0,0,0,0|2,0,0]=4 616 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [2,0,0,0,0,0|2,0,0]=4 617 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [2,0,0,0,0,0|2,0,0]=4 618 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [2,0,0,0,0,0|2,0,0]=4 619 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [2,0,0,0,0,0|2,0,0]=4 620 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [2,0,0,0,0,0|2,0,0]=4 621 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [2,0,0,0,0,0|2,0,0]=4 622 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [2,0,0,0,0,0|2,0,0]=4 623 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [2,0,0,0,0,0|2,0,0]=4 624 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [2,0,0,0,0,0|1,0,1]=4 625 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [2,0,0,0,0,0|2,0,0]=4 626 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [2,0,0,0,0,0|2,0,0]=4 627 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [2,0,0,0,0,0|2,0,0]=4 628 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [2,0,0,0,0,0|2,0,0]=4 629 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [2,0,0,0,0,0|2,0,0]=4 630 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [2,0,0,0,0,0|2,0,0]=4 631 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [2,0,0,0,0,0|2,0,0]=4 632 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)C 1458a_100015345288_100011215641 [1,1,0,0,0,0|1,0,1]=4 633 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)N 1458a_100015345288_100102525003 [1,1,0,0,0,0|1,0,1]=4 634 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [1,1,0,0,0,0|1,0,1]=4 635 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218727 [1,1,0,0,0,0|2,0,0]=4 636 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 34a_200011215852_100009817443 [1,1,0,0,0,0|2,0,0]=4 637 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218727 [1,1,0,0,0,0|2,0,0]=4 638 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)N 7a_200011215852_100009817443 [1,1,0,0,0,0|2,0,0]=4 639 B17R0.78 CCCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218727 [1,1,0,0,0,0|1,0,1]=4 640 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218727 [1,1,0,0,0,0|2,0,0]=4 641 B17R0.78 CCCCCCCC(C)SCCCCCC(=O)N 62a_200011218727_100009817443 [1,1,0,0,0,0|2,0,0]=4 642 B17R0.101 CCCCCCC=CC(=O)CCCCCC(=O)N 1458a_200015324643_100009817443 [1,1,0,0,0,0|1,0,1]=4 643 B17R0.101 CCCCCCCCC(=O)CCCCCB(O)O 1458a_100000210188_200009817188 [1,1,0,0,0,0|1,0,1]=4 644 B17R0.101 CCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210188_100009817443 [1,1,0,0,0,0|1,0,0]=3 645 B17R0.101 CCCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210759 [1,1,0,0,0,0|1,0,1]=4 646 B17R0.101 CCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210188_100000033659 [1,1,0,0,0,0|2,0,0]=4 647 B17R0.101 CCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210188_200010402107 [1,1,0,0,0,0|2,0,0]=4 648 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210188 [1,1,0,0,0,0|2,0,0]=4 649 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210188 [1,1,0,0,0,0|2,0,0]=4 650 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210188 [1,1,0,0,0,0|2,0,0]=4 651 B17R0.101 CCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210188 [1,1,0,0,0,0|2,0,0]=4 652 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 2230a_100000207567_100009817443 [1,1,0,0,0,0|2,0,0]=4 653 B17R0.101 CCCCCCCCN(C)CCCCCC(=O)N 269982a_100000207567_100009817443 [1,1,0,0,0,0|2,0,0]=4 654 B17R0.101 NC(=O)CCCCCC(=O)CCCCCCCO 1458a_100011219782_100009817443 [1,1,0,0,0,0|2,0,0]=4 655 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [1,1,0,0,0,0|1,0,1]=4 656 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [1,1,0,0,0,0|1,0,1]=4 657 B17R0.195 CCCCCCCC/C=C/COCCC(=O)NC 34a_200020667288_100012179268 [1,1,0,0,0,0|2,0,0]=4 658 B17R0.195 CCCCCCCC/C=C/COCCC(=O)NC 7a_200020667288_100000737683 [1,1,0,0,0,0|2,0,0]=4 659 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 34a_200020667288_100000742370 [1,1,0,0,0,0|1,0,0]=3 660 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 7a_200020667288_100000204255 [1,1,0,0,0,0|1,0,0]=3 661 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [1,1,0,0,0,0|0,0,1]=3 662 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [1,1,0,0,0,0|1,0,1]=4 663 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [1,1,0,0,0,0|1,0,1]=4 664 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [1,1,0,0,0,0|1,0,1]=4 665 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [1,1,0,0,0,0|1,0,1]=4 666 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [1,1,0,0,0,0|1,0,1]=4 667 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [1,1,0,0,0,0|1,0,1]=4 668 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [1,1,0,0,0,0|1,0,1]=4 669 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [1,1,0,0,0,0|1,0,1]=4 670 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [1,1,0,0,0,0|1,0,1]=4 671 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [1,1,0,0,0,0|1,0,1]=4 672 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [1,1,0,0,0,0|1,0,1]=4 673 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [1,1,0,0,0,0|1,0,1]=4 674 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [1,1,0,0,0,0|1,0,1]=4 675 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [1,1,0,0,0,0|1,0,1]=4 676 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [1,1,0,0,0,0|1,0,1]=4 677 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [1,1,0,0,0,0|1,0,1]=4 678 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [1,1,0,0,0,0|1,0,1]=4 679 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [1,1,0,0,0,0|1,0,1]=4 680 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [1,1,0,0,0,0|1,0,1]=4 681 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [1,1,0,0,0,0|1,0,1]=4 682 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [1,1,0,0,0,0|1,0,1]=4 683 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [1,1,0,0,0,0|1,0,1]=4 684 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [1,1,0,0,0,0|1,0,1]=4 685 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [1,1,0,0,0,0|1,0,1]=4 686 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [1,1,0,0,0,0|1,0,1]=4 687 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [1,1,0,0,0,0|1,0,1]=4 688 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [1,1,0,0,0,0|1,0,1]=4 689 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [1,1,0,0,0,0|1,0,0]=3 690 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [1,1,0,0,0,0|1,0,0]=3 691 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [1,1,0,0,0,0|1,0,0]=3 692 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [1,1,0,0,0,0|1,0,0]=3 693 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [1,1,0,0,0,0|1,0,0]=3 694 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [1,1,0,0,0,0|1,0,0]=3 695 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [1,1,0,0,0,0|1,0,0]=3 696 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [1,1,0,0,0,0|1,0,0]=3 697 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [1,1,0,0,0,0|1,0,1]=4 698 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [1,1,0,0,0,0|1,0,1]=4 699 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [1,1,0,0,0,0|1,0,1]=4 700 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [1,1,0,0,0,0|1,0,1]=4 701 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [1,1,0,0,0,0|1,0,1]=4 702 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [1,1,0,0,0,0|1,0,1]=4 703 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [1,1,0,0,0,0|1,0,1]=4 704 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [1,1,0,0,0,0|1,0,1]=4 705 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [1,1,0,0,0,0|1,0,1]=4 706 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [1,1,0,0,0,0|1,0,1]=4 707 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [1,1,0,0,0,0|1,0,1]=4 708 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [1,1,0,0,0,0|1,0,1]=4 709 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [1,1,0,0,0,0|1,0,1]=4 710 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [1,1,0,0,0,0|1,0,1]=4 711 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [1,1,0,0,0,0|1,0,1]=4 712 B17R0.195 CCCCCNCCOCCCCCC(=O)OC 34a_100000224656_100009816466 [1,1,0,0,0,0|2,0,0]=4 713 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [1,1,0,0,0,0|1,0,1]=4 714 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [1,1,0,0,0,0|1,0,1]=4 715 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [1,1,0,0,0,0|1,0,1]=4 716 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [1,1,0,0,0,0|1,0,1]=4 717 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 34a_100011215259_100009816466 [1,1,0,0,0,0|2,0,0]=4 718 B17R0.195 CCCCCOCCOCCCCCC(=O)OC 7a_100011215259_100009816466 [1,1,0,0,0,0|2,0,0]=4 719 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [1,1,0,0,0,0|1,0,1]=4 720 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [1,1,0,0,0,0|1,0,1]=4 721 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [1,1,0,0,0,0|1,0,1]=4 722 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [1,1,0,0,0,0|1,0,1]=4 723 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [1,1,0,0,0,0|1,0,1]=4 724 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [1,1,0,0,0,0|1,0,1]=4 725 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 2230a_200000211371_100009816466 [1,1,0,0,0,0|2,0,0]=4 726 B17R0.195 CCCCOCCCNCCCCCC(=O)OC 34a_200000211371_100009816466 [1,1,0,0,0,0|2,0,0]=4 727 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 34a_200011215613_100009816466 [1,1,0,0,0,0|2,0,0]=4 728 B17R0.195 CCCCOCCCOCCCCCC(=O)OC 7a_200011215613_100009816466 [1,1,0,0,0,0|2,0,0]=4 729 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [1,1,0,0,0,0|1,0,1]=4 730 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [1,1,0,0,0,0|1,0,1]=4 731 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [1,1,0,0,0,0|1,0,1]=4 732 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [1,1,0,0,0,0|1,0,1]=4 733 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [1,1,0,0,0,0|1,0,1]=4 734 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [1,1,0,0,0,0|1,0,1]=4 735 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [1,1,0,0,0,0|1,0,1]=4 736 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [1,1,0,0,0,0|1,0,1]=4 737 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [1,1,0,0,0,0|1,0,1]=4 738 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [1,1,0,0,0,0|1,0,1]=4 739 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [1,1,0,0,0,0|1,0,1]=4 740 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [1,1,0,0,0,0|1,0,1]=4 741 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [1,1,0,0,0,0|1,0,1]=4 742 B17R0.195 COC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009816466 [1,1,0,0,0,0|2,0,0]=4 743 B17R0.195 COC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009816466 [1,1,0,0,0,0|2,0,0]=4 744 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009816466 [1,1,0,0,0,0|2,0,0]=4 745 B17R0.195 COC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009816466 [1,1,0,0,0,0|2,0,0]=4 746 B17R0.195 COC(=O)CCCCCOCCCCCCCN 34a_100011996573_100009816466 [1,1,0,0,0,0|2,0,0]=4 747 B17R0.195 COC(=O)CCCCCOCCCCCCCO 34a_100000074720_100000760002 [1,1,0,0,0,0|2,0,0]=4 748 B17R0.195 COC(=O)CCCCCOCCCCCCCO 7a_100000074720_100000760002 [1,1,0,0,0,0|2,0,0]=4 749 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009816466 [1,1,0,0,0,0|2,0,0]=4 750 B17R0.195 COC(=O)CCCCCSCCCCCCCO 62a_100009816466_100000760002 [1,1,0,0,0,0|2,0,0]=4 751 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [1,1,0,0,0,0|1,0,1]=4 752 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011998445 [1,1,0,0,0,0|2,0,0]=4 753 B17R0.195 COCCCCCCOCCCCCC(=O)OC 34a_200012092642_100009816466 [1,1,0,0,0,0|2,0,0]=4 754 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_100000074720_100011998445 [1,1,0,0,0,0|2,0,0]=4 755 B17R0.195 COCCCCCCOCCCCCC(=O)OC 7a_200012092642_100009816466 [1,1,0,0,0,0|2,0,0]=4 756 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100009816466_100011998445 [1,1,0,0,0,0|2,0,0]=4 757 B17R0.195 COCCCCCCSCCCCCC(=O)OC 62a_100011998445_100009816466 [1,1,0,0,0,0|2,0,0]=4 758 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [1,1,0,0,0,0|1,0,1]=4 759 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 2230a_100000211014_100009817443 [1,1,0,0,0,0|2,0,0]=4 760 B17R0.1713 CC(C)CCCCCCNCCCCCC(=O)N 34a_100000211014_100009817443 [1,1,0,0,0,0|2,0,0]=4 761 B17R0.8801 CCCCCCCC=CC(=O)CCCCC(=O)C 1458a_200015332781_100000735457 [1,1,0,0,0,0|1,0,1]=4 762 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210558_100000735457 [1,1,0,0,0,0|1,0,1]=4 763 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [1,1,0,0,0,0|1,0,1]=4 764 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [1,1,0,0,0,0|1,0,1]=4 765 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [1,1,0,0,0,0|1,0,1]=4 766 B17R0.14363 CCC(C)CCCCCOCCCCCC(=O)N 7a_200000035636_100009817443 [1,1,0,0,0,0|2,0,0]=4 767 B17R0.104 CCCCCCCCC(=O)CCCCCCCO 1458a_100000210188_100000760002 [1,1,0,0,0,0|0,0,2]=4 768 B17R0.104 CCCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210759 [1,1,0,0,0,0|0,0,2]=4 769 B17R0.104 CCCCCCCCC(=O)NCCCCCCO 240690a_100000686447_100000210188 [1,1,0,0,0,0|1,0,1]=4 770 B17R0.104 CCCCCCCCC(=O)NCCCCCCO 527a_100000686447_100000210188 [1,1,0,0,0,0|1,0,1]=4 771 B17R0.104 CCCCCCCCC(C)OCCCCCC=O 7a_100000210740_100000139337 [1,1,0,0,0,0|1,0,1]=4 772 B17R0.117 CCCCCC/C=C/C=C/COCCCCC=O 7a_200028454808_100000139335 [1,1,0,0,0,0|0,0,2]=4 773 B17R0.117 CCCCCCC/C=C/C=C/COCCCC=O 7a_200025756345_200011292268 [1,1,0,0,0,0|0,0,2]=4 774 B17R0.117 CCCCCCCC/C=C/COCCCCC=O 7a_200020667288_100000139335 [1,1,0,0,0,0|0,0,0]=2 775 B17R0.117 CCCCCCCC/C=C/COCCCCCO 34a_200020667288_100000746330 [1,1,0,0,0,0|0,0,1]=3 776 B17R0.117 CCCCCCCC/C=C/COCCCCCO 7a_200020667288_100000746330 [1,1,0,0,0,0|0,0,1]=3 777 B17R0.117 CCCCCCCC/C=C/COCCCCOC 34a_200020667288_100000755781 [1,1,0,0,0,0|1,0,1]=4 778 B17R0.117 CCCCCCCC/C=C/COCCCCOC 7a_200020667288_100000730899 [1,1,0,0,0,0|1,0,1]=4 779 B17R0.117 CCCCCCCC/C=C/COCCOCCO 34a_200020667288_100000692535 [1,1,0,0,0,0|1,0,1]=4 780 B17R0.117 CCCCCCCC/C=C/COCCOCCO 7a_200020667288_100011215305 [1,1,0,0,0,0|1,0,1]=4 781 B17R0.117 CCCCCCCCC/C=C/COCCCC=O 7a_100015232335_200011292268 [1,1,0,0,0,0|1,0,0]=3 782 B17R0.117 CCCCCCCCC/C=C/COCCCCO 34a_100015232335_100011216708 [1,1,0,0,0,0|1,0,1]=4 783 B17R0.117 CCCCCCCCC/C=C/COCCCCO 7a_100015232335_100000210776 [1,1,0,0,0,0|1,0,1]=4 784 B17R0.196 CCCCC(C)CCCCOCCCCCC=O 7a_200011021034_100000139337 [1,1,0,0,0,0|1,0,1]=4 785 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 11a_100000229939_100011934241 [1,1,0,0,0,0|2,0,0]=4 786 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 1626a_100000229939_100011934241 [1,1,0,0,0,0|2,0,0]=4 787 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 240690a_100000229939_100011934241 [1,1,0,0,0,0|2,0,0]=4 788 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 527a_100000229939_100011934241 [1,1,0,0,0,0|2,0,0]=4 789 B17R0.8809 CCCCCCCC=CC(=O)CCCCCCO 1458a_200015332781_100000766143 [1,1,0,0,0,0|0,0,2]=4 790 B17R0.8809 CCCCCCCCCC(=O)CCCCCCO 1458a_100000210558_100000766143 [1,1,0,0,0,0|0,0,2]=4 791 B17R0.8809 CCCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210670 [1,1,0,0,0,0|0,0,2]=4 792 B17R0.8809 CCCCCCCCCN(C)CCCCCC=O 2230a_100000232482_100000139337 [1,1,0,0,0,0|1,0,1]=4 793 B17R0.8809 CCCCCCCCCN(C)CCCCCC=O 269982a_100000232482_100000139337 [1,1,0,0,0,0|1,0,1]=4 794 B17R0.8809 CCCCCCCCNC(=O)CCCCCCO 240690a_100000229939_100011996774 [1,1,0,0,0,0|1,0,1]=4 795 B17R0.12412 CCCCCCC(C)CCOCCCCCC=O 7a_200011024964_100000139337 [1,1,0,0,0,0|1,0,1]=4 796 B17R0.12412 CCCCCCCCC=CC(=O)CCCCCO 1458a_100015345288_100000746330 [1,1,0,0,0,0|0,0,2]=4 797 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [1,0,0,1,0,0|1,0,1]=4 798 B17R1.716 CCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210759 [1,0,0,1,0,0|2,0,0]=4 799 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 2230a_100000701414_100009817443 [1,0,0,1,0,0|2,0,0]=4 800 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 269982a_100000701414_100009817443 [1,0,0,1,0,0|2,0,0]=4 801 B17R1.747 CCCC1CCCCN1CCCCCC(=O)N 34a_100000701414_100009817443 [1,0,0,1,0,0|2,0,0]=4 802 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 2230a_100000738074_100009817443 [1,0,0,1,0,0|2,0,0]=4 803 B17R1.1311 NC(=O)CCCCCNCCC1CCCCC1 34a_100000738074_100009817443 [1,0,0,1,0,0|2,0,0]=4 804 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100000123541_100011209188 [1,0,0,1,0,0|2,0,0]=4 805 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 34a_100011217863_100009817443 [1,0,0,1,0,0|2,0,0]=4 806 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100000123541_100011273959 [1,0,0,1,0,0|2,0,0]=4 807 B17R1.1311 NC(=O)CCCCCOCCC1CCCCC1 7a_100011217863_100009817443 [1,0,0,1,0,0|2,0,0]=4 808 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100009817443_100012355289 [1,0,0,1,0,0|2,0,0]=4 809 B17R1.1311 NC(=O)CCCCCSCCC1CCCCC1 62a_100012355289_100009817443 [1,0,0,1,0,0|2,0,0]=4 810 B17R1.1311 O=C([O-])CCCCCOCCC1CCCCC1 7a_100102619762_100011273959 [1,0,0,1,0,0|1,0,1]=4 811 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 34a_100000210738_100009817443 [1,0,0,1,0,0|2,0,0]=4 812 B17R1.1419 CCC1CCCCC1OCCCCCC(=O)N 7a_100000210738_100009817443 [1,0,0,1,0,0|2,0,0]=4 813 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [1,0,0,1,0,0|1,0,1]=4 814 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [1,0,0,1,0,0|1,0,1]=4 815 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210759 [1,0,0,1,0,0|2,0,0]=4 816 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210759 [1,0,0,1,0,0|2,0,0]=4 817 B17R1.7901 CCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210759 [1,0,0,1,0,0|2,0,0]=4 818 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [1,0,0,1,0,0|1,0,0]=3 819 B17R1.7901 CCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210759 [1,0,0,1,0,0|2,0,0]=4 820 B17R1.7901 CCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210759 [1,0,0,1,0,0|2,0,0]=4 821 B17R1.7901 CCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210759 [1,0,0,1,0,0|2,0,0]=4 822 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [1,0,0,1,0,0|1,0,1]=4 823 B17R1.7901 COCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011998445 [1,0,0,1,0,0|2,0,0]=4 824 B17R1.7901 O=C(O)[C@H]1CCCCN1CCCCCCCO 269956a_100000763471_100000760002 [1,0,0,1,0,0|2,0,0]=4 825 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 2230a_100000736752_100009817443 [1,0,0,1,0,0|2,0,0]=4 826 B17R1.9279 NC(=O)CCCCCNCCCC1CCCC1 34a_100000736752_100009817443 [1,0,0,1,0,0|2,0,0]=4 827 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100000123541_100011713738 [1,0,0,1,0,0|2,0,0]=4 828 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 34a_100011215328_100009817443 [1,0,0,1,0,0|2,0,0]=4 829 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100000123541_100011713738 [1,0,0,1,0,0|2,0,0]=4 830 B17R1.9279 NC(=O)CCCCCOCCCC1CCCC1 7a_100011215328_100009817443 [1,0,0,1,0,0|2,0,0]=4 831 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100009817443_100011713738 [1,0,0,1,0,0|2,0,0]=4 832 B17R1.9279 NC(=O)CCCCCSCCCC1CCCC1 62a_100011713738_100009817443 [1,0,0,1,0,0|2,0,0]=4 833 B17R1.9279 O=C([O-])CCCCCOCCCC1CCCC1 7a_100102619762_100011713738 [1,0,0,1,0,0|1,0,1]=4 834 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 2230a_100000039187_100009817443 [1,0,0,1,0,0|2,0,0]=4 835 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 269982a_100000039187_100009817443 [1,0,0,1,0,0|2,0,0]=4 836 B17R1.16345 NC(=O)CCCCCN1CCCCCCCC1 34a_100000039187_100009817443 [1,0,0,1,0,0|2,0,0]=4 837 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [1,0,0,1,0,0|1,0,1]=4 838 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 2230a_100000211152_100009817443 [1,0,0,1,0,0|2,0,0]=4 839 B17R1.26240 NC(=O)CCCCCNC1CCCCCCC1 34a_100000211152_100009817443 [1,0,0,1,0,0|2,0,0]=4 840 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 34a_100000210054_100009817443 [1,0,0,1,0,0|2,0,0]=4 841 B17R1.26240 NC(=O)CCCCCOC1CCCCCCC1 7a_100000210054_100009817443 [1,0,0,1,0,0|2,0,0]=4 842 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [1,0,0,1,0,0|1,0,1]=4 843 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 2230a_100015204231_100009817443 [1,0,0,1,0,0|2,0,0]=4 844 B17R1.103159 NC(=O)CCCCCNCC1CCCCCC1 34a_100015204231_100009817443 [1,0,0,1,0,0|2,0,0]=4 845 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000123541_200000696569 [1,0,0,1,0,0|2,0,0]=4 846 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 34a_100000699130_100009817443 [1,0,0,1,0,0|2,0,0]=4 847 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000123541_200000696569 [1,0,0,1,0,0|2,0,0]=4 848 B17R1.103159 NC(=O)CCCCCOCC1CCCCCC1 7a_100000699130_100009817443 [1,0,0,1,0,0|2,0,0]=4 849 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_100009817443_200000696569 [1,0,0,1,0,0|2,0,0]=4 850 B17R1.103159 NC(=O)CCCCCSCC1CCCCCC1 62a_200000696569_100009817443 [1,0,0,1,0,0|2,0,0]=4 851 B17R1.103159 O=C([O-])CCCCCOCC1CCCCCC1 7a_100102619762_200000696569 [1,0,0,1,0,0|1,0,1]=4 852 B17R1.1242 O=CCCCCCNCCCC1CCCCC1 2230a_100011211642_100000139337 [1,0,0,1,0,0|1,0,1]=4 853 B17R1.1242 O=CCCCCCOCCCC1CCCCC1 7a_100000198086_100000139337 [1,0,0,1,0,0|1,0,1]=4 854 B17R1.1242 O=CCCCCCSCCCC1CCCCC1 62a_100000139337_100011713725 [1,0,0,1,0,0|1,0,1]=4 855 B17R1.1242 O=CCCCCCSCCCC1CCCCC1 62a_100011713725_100000139337 [1,0,0,1,0,0|1,0,1]=4 856 B17R1.1261 CCCCCCCCOC1CCCCCC1=O 7a_100000210232_100000243696 [1,0,0,1,0,0|1,0,1]=4 857 B17R1.1261 CCCCCCCCSC1CCCCCC1=O 62a_100000210759_100000243696 [1,0,0,1,0,0|1,0,1]=4 858 B17R1.1261 CCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210317 [1,0,0,1,0,0|1,0,1]=4 859 B17R1.1450 CCCCCCCCCNC1CCCCC1=O 34a_100000212291_100000754470 [1,0,0,1,0,0|1,0,1]=4 860 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 34a_100000210712_100000754470 [1,0,0,1,0,0|1,0,1]=4 861 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 34a_100011214950_100011214924 [1,0,0,1,0,0|1,0,1]=4 862 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 7a_100000210712_100000204591 [1,0,0,1,0,0|1,0,1]=4 863 B17R1.1450 CCCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210670 [1,0,0,1,0,0|1,0,1]=4 864 B17R1.1450 CCCCCCCCOCC1CCCCC1=O 34a_100009861125_100000210759 [1,0,0,1,0,0|1,0,1]=4 865 B17R1.1450 CCCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210759 [1,0,0,1,0,0|1,0,1]=4 866 B17R1.5249 CCCCCCCC/C=C/COC1CCC1=O 34a_200020667288_100009892977 [1,0,0,1,0,0|1,0,0]=3 867 B17R1.5249 CCCCCCCC/C=C/COC1CCC1=O 7a_200020667288_100009892977 [1,0,0,1,0,0|1,0,0]=3 868 B17R1.5249 CCCCCCCCCNCCC1CCC1=O 2230a_100000212291_200016118888 [1,0,0,1,0,0|1,0,1]=4 869 B17R1.5249 CCCCCCCCCOCCC1CCC1=O 7a_100000210712_200016118888 [1,0,0,1,0,0|1,0,1]=4 870 B17R1.5249 CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210670 [1,0,0,1,0,0|1,0,1]=4 871 B17R1.7892 CCCCCCCC/C=C/COCC1CCO1 34a_200020667288_100000103362 [1,0,0,1,0,0|1,0,1]=4 872 B17R1.7892 CCCCCCCC/C=C/COCC1CCO1 7a_200020667288_100000103362 [1,0,0,1,0,0|1,0,1]=4 873 B17R1.10640 CCCC1CCCCC1OCCCCCC=O 7a_100011217265_100000139337 [1,0,0,1,0,0|1,0,1]=4 874 B17R1.25275 O=CCCCCCOCC1CCCCCCC1 7a_100011216312_100000139337 [1,0,0,1,0,0|1,0,1]=4 875 B17R1.29199 O=CCCCCCNCCC1CCCCCC1 2230a_100011532351_100000139337 [1,0,0,1,0,0|1,0,1]=4 876 B19R1.8151 CCCCCCCCC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100000210188 [0,1,0,1,0,0|2,0,0]=4 877 B19R1.8151 CCCCCCCCC(=O)N1CCCCC1C(=O)N 527a_100000181395_100000210188 [0,1,0,1,0,0|2,0,0]=4 878 B19R1.8151 CCCCCCCCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210759 [0,1,0,1,0,0|1,0,1]=4 879 B19R1.274 CCCCCCCC/C=C/COCC1CNC(=O)O1 34a_200020667288_100000181169 [0,1,0,1,0,0|1,0,0]=3 880 B19R1.274 CCCCCCCC/C=C/COCC1CNC(=O)O1 7a_200020667288_100000181169 [0,1,0,1,0,0|1,0,0]=3 881 B19R1.274 CCCCCCCC/C=C/COCC1COC(=O)O1 34a_200020667288_100000073702 [0,1,0,1,0,0|1,0,0]=3 882 B19R1.274 CCCCCCCC/C=C/COC[C@@H]1CCC(=O)N1 7a_200020667288_100015189358 [0,1,0,1,0,0|1,0,0]=3 883 B19R1.274 CCCCCCCC/C=C/COC[C@H]1COC(=O)N1 34a_200020667288_100015307671 [0,1,0,1,0,0|2,0,0]=4 884 B19R1.274 CCCCCCCC/C=C/COC[C@H]1COC(=O)N1 7a_200020667288_100015307671 [0,1,0,1,0,0|2,0,0]=4 885 B19R1.274 CCCCCCCCC/C=C/COC1COC(=O)O1 34a_100015232335_100000032252 [0,1,0,1,0,0|2,0,0]=4 886 B19R1.884 COC(=O)CCCCCCNCCC1CCCCC1 2230a_100000738074_100009815986 [0,1,0,1,0,0|1,0,1]=4 887 B19R1.884 COC(=O)CCCCCCNCCC1CCCCC1 34a_100000738074_100009815986 [0,1,0,1,0,0|1,0,1]=4 888 B19R1.884 COC(=O)CCCCCCOCCC1CCCCC1 34a_100009863599_100011209188 [0,1,0,1,0,0|1,0,1]=4 889 B19R1.884 COC(=O)CCCCCCOCCC1CCCCC1 34a_100011217863_100009815986 [0,1,0,1,0,0|1,0,1]=4 890 B19R1.884 COC(=O)CCCCCCOCCC1CCCCC1 7a_100009863599_100011273959 [0,1,0,1,0,0|1,0,1]=4 891 B19R1.884 COC(=O)CCCCCCOCCC1CCCCC1 7a_100011217863_100009815986 [0,1,0,1,0,0|1,0,1]=4 892 B19R1.884 COC(=O)CCCCCCSCCC1CCCCC1 62a_100009815986_100012355289 [0,1,0,1,0,0|1,0,1]=4 893 B19R1.884 COC(=O)CCCCCCSCCC1CCCCC1 62a_100012355289_100009815986 [0,1,0,1,0,0|1,0,1]=4 894 B19R1.884 COC(=O)CCCCCNCCCC1CCCCC1 2230a_100011211642_100009816466 [0,1,0,1,0,0|1,0,1]=4 895 B19R1.884 COC(=O)CCCCCNCCCC1CCCCC1 34a_100011211642_100009816466 [0,1,0,1,0,0|1,0,1]=4 896 B19R1.884 COC(=O)CCCCCOCCCC1CCCCC1 34a_100000074720_100011713725 [0,1,0,1,0,0|1,0,1]=4 897 B19R1.884 COC(=O)CCCCCOCCCC1CCCCC1 34a_100000198086_100009816466 [0,1,0,1,0,0|1,0,1]=4 898 B19R1.884 COC(=O)CCCCCOCCCC1CCCCC1 7a_100000074720_100011713725 [0,1,0,1,0,0|1,0,1]=4 899 B19R1.884 COC(=O)CCCCCOCCCC1CCCCC1 7a_100000198086_100009816466 [0,1,0,1,0,0|1,0,1]=4 900 B19R1.884 COC(=O)CCCCCSCCCC1CCCCC1 62a_100009816466_100011713725 [0,1,0,1,0,0|1,0,1]=4 901 B19R1.884 COC(=O)CCCCCSCCCC1CCCCC1 62a_100011713725_100009816466 [0,1,0,1,0,0|1,0,1]=4 902 B19R1.5170 CCCCCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100011214924 [0,1,0,1,0,0|1,0,1]=4 903 B19R1.5170 CCCCCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210670 [0,1,0,1,0,0|1,0,1]=4 904 B19R1.5170 CCCCCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100011214924 [0,1,0,1,0,0|1,0,1]=4 905 B19R1.5170 CCCCCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210759 [0,1,0,1,0,0|1,0,1]=4 906 B19R1.5170 CCCCCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210759 [0,1,0,1,0,0|1,0,1]=4 907 B19R1.5180 CCCCCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011214924 [0,1,0,1,0,0|1,0,1]=4 908 B19R1.5180 CCCCCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210670 [0,1,0,1,0,0|1,0,1]=4 909 B19R1.5180 CCCCCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100011214924 [0,1,0,1,0,0|1,0,1]=4 910 B19R1.7481 CCC1CCCCC1OCCCCCCC(=O)OC 34a_100000210738_100009815986 [0,1,0,1,0,0|1,0,1]=4 911 B19R1.7481 CCC1CCCCC1OCCCCCCC(=O)OC 7a_100000210738_100009815986 [0,1,0,1,0,0|1,0,1]=4 912 B19R1.17521 CCCC1CCCCC1OCCCCCC(=O)OC 34a_100011217265_100009816466 [0,1,0,1,0,0|1,0,1]=4 913 B19R1.17521 CCCC1CCCCC1OCCCCCC(=O)OC 7a_100011217265_100009816466 [0,1,0,1,0,0|1,0,1]=4 914 B19R1.17521 CCCC1CCCCN1CCCCCCC(=O)OC 2230a_100000701414_100009815986 [0,1,0,1,0,0|1,0,1]=4 915 B19R1.17521 CCCC1CCCCN1CCCCCCC(=O)OC 269982a_100000701414_100009815986 [0,1,0,1,0,0|1,0,1]=4 916 B19R1.17521 CCCC1CCCCN1CCCCCCC(=O)OC 34a_100000701414_100009815986 [0,1,0,1,0,0|1,0,1]=4 917 B19R1.27399 CCCCCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100011214924 [0,1,0,1,0,0|1,0,1]=4 918 B19R1.27399 CCCCCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210328 [0,1,0,1,0,0|1,0,1]=4 919 B19R1.46528 CCCCCCCC/C=C/COCCC1CCC1=O 7a_200020667288_200016118888 [0,1,0,1,0,0|2,0,0]=4 920 B19R1.49864 COC(=O)CCCCCCN1CCCCCCCC1 2230a_100000039187_100009815986 [0,1,0,1,0,0|1,0,1]=4 921 B19R1.49864 COC(=O)CCCCCCN1CCCCCCCC1 269982a_100000039187_100009815986 [0,1,0,1,0,0|1,0,1]=4 922 B19R1.49864 COC(=O)CCCCCCN1CCCCCCCC1 34a_100000039187_100009815986 [0,1,0,1,0,0|1,0,1]=4 923 B19R1.50111 COC(=O)CCCCCCNC1CCCCCCC1 2230a_100000211152_100009815986 [0,1,0,1,0,0|1,0,1]=4 924 B19R1.50111 COC(=O)CCCCCCNC1CCCCCCC1 34a_100000211152_100009815986 [0,1,0,1,0,0|1,0,1]=4 925 B19R1.50111 COC(=O)CCCCCCOC1CCCCCCC1 34a_100000210054_100009815986 [0,1,0,1,0,0|1,0,1]=4 926 B19R1.50111 COC(=O)CCCCCCOC1CCCCCCC1 7a_100000210054_100009815986 [0,1,0,1,0,0|1,0,1]=4 927 B19R1.50111 COC(=O)CCCCCOCC1CCCCCCC1 34a_100011216312_100009816466 [0,1,0,1,0,0|1,0,1]=4 928 B19R1.50111 COC(=O)CCCCCOCC1CCCCCCC1 7a_100011216312_100009816466 [0,1,0,1,0,0|1,0,1]=4 929 B19R1.62988 COC(=O)CCCCCCNCCCC1CCCC1 2230a_100000736752_100009815986 [0,1,0,1,0,0|1,0,1]=4 930 B19R1.62988 COC(=O)CCCCCCNCCCC1CCCC1 34a_100000736752_100009815986 [0,1,0,1,0,0|1,0,1]=4 931 B19R1.62988 COC(=O)CCCCCCOCCCC1CCCC1 34a_100009863599_100011713738 [0,1,0,1,0,0|1,0,1]=4 932 B19R1.62988 COC(=O)CCCCCCOCCCC1CCCC1 34a_100011215328_100009815986 [0,1,0,1,0,0|1,0,1]=4 933 B19R1.62988 COC(=O)CCCCCCOCCCC1CCCC1 7a_100009863599_100011713738 [0,1,0,1,0,0|1,0,1]=4 934 B19R1.62988 COC(=O)CCCCCCOCCCC1CCCC1 7a_100011215328_100009815986 [0,1,0,1,0,0|1,0,1]=4 935 B19R1.62988 COC(=O)CCCCCCSCCCC1CCCC1 62a_100009815986_100011713738 [0,1,0,1,0,0|1,0,1]=4 936 B19R1.62988 COC(=O)CCCCCCSCCCC1CCCC1 62a_100011713738_100009815986 [0,1,0,1,0,0|1,0,1]=4 937 B19R1.407479 COC(=O)CCCCCCNCC1CCCCCC1 2230a_100015204231_100009815986 [0,1,0,1,0,0|1,0,1]=4 938 B19R1.407479 COC(=O)CCCCCCNCC1CCCCCC1 34a_100015204231_100009815986 [0,1,0,1,0,0|1,0,1]=4 939 B19R1.407479 COC(=O)CCCCCCOCC1CCCCCC1 34a_100000699130_100009815986 [0,1,0,1,0,0|1,0,1]=4 940 B19R1.407479 COC(=O)CCCCCCOCC1CCCCCC1 34a_100009863599_200000696569 [0,1,0,1,0,0|1,0,1]=4 941 B19R1.407479 COC(=O)CCCCCCOCC1CCCCCC1 7a_100000699130_100009815986 [0,1,0,1,0,0|1,0,1]=4 942 B19R1.407479 COC(=O)CCCCCCOCC1CCCCCC1 7a_100009863599_200000696569 [0,1,0,1,0,0|1,0,1]=4 943 B19R1.407479 COC(=O)CCCCCCSCC1CCCCCC1 62a_100009815986_200000696569 [0,1,0,1,0,0|1,0,1]=4 944 B19R1.407479 COC(=O)CCCCCCSCC1CCCCCC1 62a_200000696569_100009815986 [0,1,0,1,0,0|1,0,1]=4 945 B19R1.407479 COC(=O)CCCCCNCCC1CCCCCC1 2230a_100011532351_100009816466 [0,1,0,1,0,0|1,0,1]=4 946 B19R1.407479 COC(=O)CCCCCNCCC1CCCCCC1 34a_100011532351_100009816466 [0,1,0,1,0,0|1,0,1]=4 947 B19R1.27386 CCCCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210670 [0,1,0,1,0,0|1,0,1]=4 948 B19R1.88865 CCCCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210670 [0,1,0,1,0,0|1,0,1]=4 949 B19R1.5152 CCCCCCCCC/C=C/COCC1CC(=O)C1 7a_100015232335_100009874392 [0,1,0,1,0,0|2,0,0]=4 950 B19R1.8985 CCCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210759 [0,1,0,1,0,0|0,0,2]=4 951 B19R1.27390 CCCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210320 [0,1,0,1,0,0|0,0,2]=4 952 B19R1.27390 CCCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210670 [0,1,0,1,0,0|0,0,2]=4 953 B19R1.27390 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCCCO 269956a_100009816435_100000033203 [0,1,0,1,0,0|1,0,1]=4 954 B19R1.27390 O=C(O)[C@H]1CCCCN1CCCCCCCCCO 269956a_100000763471_100009813782 [0,1,0,1,0,0|1,0,1]=4 955 B19R1.46531 CCCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215454 [0,1,0,1,0,0|0,0,2]=4 956 B19R1.47245 CCCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210670 [0,1,0,1,0,0|0,0,2]=4 957 B19R1.47245 O=C(O)C1CCCCCN1CCCCCCCCO 269956a_100000758484_100000033203 [0,1,0,1,0,0|1,0,1]=4 958 B19R1.54339 CCCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210614 [0,1,0,1,0,0|0,0,2]=4 959 B19R1.68071 CCCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000759014 [0,1,0,1,0,0|0,0,2]=4 960 B19R1.15976 CCCCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210670 [0,1,0,1,0,0|1,0,1]=4 961 B19R1.5144 CCCCCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210670 [0,1,0,1,0,0|1,0,1]=4 962 B19R1.29656 CCCCCCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011218727 [0,1,0,1,0,0|1,0,1]=4 963 B19R1.160512 CCCCCCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_200011218727 [0,1,0,1,0,0|1,0,1]=4 964 B19R1.25747 NC(=O)CCCCCC(=O)CCCC1CCCCC1 1458a_100000211478_100009817443 [0,1,0,1,0,0|1,0,1]=4 965 B19R1.325 CCCCCCCCC=CC(=O)CC1CNC(=O)O1 1458a_100015345288_100000181169 [0,1,0,1,0,0|1,0,1]=4 966 B19R1.325 CCCCCCCCC=CC(=O)CC1COC(=O)O1 1458a_100015345288_100000073702 [0,1,0,1,0,0|1,0,1]=4 967 B19R1.325 CCCCCCCCC=CC(=O)C[C@@H]1CCC(=O)N1 1458a_100015345288_100015189358 [0,1,0,1,0,0|1,0,1]=4 968 B19R1.15208 CCCCCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210670 [0,1,0,1,0,0|1,0,1]=4 969 B19R1.3774 CCCCCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210670 [0,1,0,1,0,0|1,0,1]=4 970 B19R2.8826 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CCCCC2 269956a_100009816435_100011273959 [0,0,0,2,0,0|1,0,1]=4 971 B19R2.8826 O=C(O)[C@H]1CCCCN1CCCC2CCCCC2 269956a_100000763471_100011713725 [0,0,0,2,0,0|1,0,1]=4 972 B19R2.8835 O=C(O)[C@@H]1CCCC[C@H]1NCCCC2CCCC2 269956a_100009816435_100011713738 [0,0,0,2,0,0|1,0,1]=4 973 B19R2.113084 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCCCCC2 269956a_100009816435_200000696569 [0,0,0,2,0,0|1,0,1]=4 974 B19R2.8803 O=C(O)C1CCCCCN1CCC2CCCCC2 269956a_100000758484_100011273959 [0,0,0,2,0,0|1,0,1]=4 975 B19R2.112842 O=C(O)C1CCCCCN1CCCC2CCCC2 269956a_100000758484_100011713738 [0,0,0,2,0,0|1,0,1]=4 976 B19R2.1023373 O=C(O)C1CCCCCN1CC2CCCCCC2 269956a_100000758484_200000696569 [0,0,0,2,0,0|1,0,1]=4