0 B18R0.176 CCCCC/C=C\CCCOCCCCCB(O)O 34a_100020655193_200009817188 [1,0,0,0,0,0|2,0,1]=4 1 B18R0.176 CCCCC/C=C\CCCOCCCCCB(O)O 7a_100020655193_200009817188 [1,0,0,0,0,0|2,0,1]=4 2 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 34a_100020655193_100009817443 [1,0,0,0,0,0|2,0,0]=3 3 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 7a_100020655193_100009817443 [1,0,0,0,0,0|2,0,0]=3 4 B18R0.176 CCCCC/C=C\CCCOCCCCOC(=O)C 34a_100020655193_100000033659 [1,0,0,0,0,0|3,0,0]=4 5 B18R0.176 CCCCC/C=C\CCCOCCCCOC(=O)C 7a_100020655193_100000033659 [1,0,0,0,0,0|3,0,0]=4 6 B18R0.176 CCCCC/C=C\CCCOCCCCSC(=O)C 34a_100020655193_200010402107 [1,0,0,0,0,0|3,0,0]=4 7 B18R0.176 CCCCC/C=C\CCCOCCCCSC(=O)C 7a_100020655193_200010402107 [1,0,0,0,0,0|3,0,0]=4 8 B18R0.176 CCCCC/C=C\CCOCCCCCCB(O)O 34a_100016277358_100009817187 [1,0,0,0,0,0|2,0,1]=4 9 B18R0.176 CCCCC/C=C\CCOCCCCCCB(O)O 7a_100016277358_100009817187 [1,0,0,0,0,0|2,0,1]=4 10 B18R0.176 CCCCC/C=C\CCOCCCCCOC(=O)C 34a_100016277358_100000033007 [1,0,0,0,0,0|3,0,0]=4 11 B18R0.176 CCCCC/C=C\CCOCCCCCOC(=O)C 7a_100016277358_100000033007 [1,0,0,0,0,0|3,0,0]=4 12 B18R0.176 CCCCCC/C=C/COCCCCCCB(O)O 34a_200016276170_100009817187 [1,0,0,0,0,0|2,0,1]=4 13 B18R0.176 CCCCCC/C=C/COCCCCCCB(O)O 7a_200016276170_100009817187 [1,0,0,0,0,0|2,0,1]=4 14 B18R0.176 CCCCCC/C=C/COCCCCCOC(=O)C 34a_200016276170_100000033007 [1,0,0,0,0,0|3,0,0]=4 15 B18R0.176 CCCCCC/C=C/COCCCCCOC(=O)C 7a_200016276170_100000033007 [1,0,0,0,0,0|3,0,0]=4 16 B18R0.221 CCCCCC/C=C/C=C/COCCCCCC=O 7a_200028454808_100000139337 [1,0,0,0,0,0|1,0,2]=4 17 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [2,0,0,0,0,0|2,0,0]=4 18 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 34a_200020645093_100009817362 [2,0,0,0,0,0|2,0,0]=4 19 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 7a_200020645093_100000735457 [2,0,0,0,0,0|2,0,0]=4 20 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 34a_100020655193_100009817362 [2,0,0,0,0,0|2,0,0]=4 21 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 7a_100020655193_100000735457 [2,0,0,0,0,0|2,0,0]=4 22 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 34a_100016277358_100009817443 [2,0,0,0,0,0|2,0,0]=4 23 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 7a_100016277358_100009817443 [2,0,0,0,0,0|2,0,0]=4 24 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 34a_200016276170_100009817443 [2,0,0,0,0,0|2,0,0]=4 25 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 7a_200016276170_100009817443 [2,0,0,0,0,0|2,0,0]=4 26 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [2,0,0,0,0,0|2,0,0]=4 27 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [2,0,0,0,0,0|2,0,0]=4 28 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [2,0,0,0,0,0|2,0,0]=4 29 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [2,0,0,0,0,0|2,0,0]=4 30 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [2,0,0,0,0,0|2,0,0]=4 31 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [2,0,0,0,0,0|2,0,0]=4 32 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [2,0,0,0,0,0|2,0,0]=4 33 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [2,0,0,0,0,0|1,0,0]=3 34 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [2,0,0,0,0,0|1,0,1]=4 35 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [2,0,0,0,0,0|2,0,0]=4 36 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [2,0,0,0,0,0|2,0,0]=4 37 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [2,0,0,0,0,0|2,0,0]=4 38 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [2,0,0,0,0,0|1,0,1]=4 39 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [2,0,0,0,0,0|2,0,0]=4 40 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [2,0,0,0,0,0|1,0,1]=4 41 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [2,0,0,0,0,0|2,0,0]=4 42 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [2,0,0,0,0,0|2,0,0]=4 43 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [2,0,0,0,0,0|2,0,0]=4 44 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [2,0,0,0,0,0|2,0,0]=4 45 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [2,0,0,0,0,0|2,0,0]=4 46 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [2,0,0,0,0,0|2,0,0]=4 47 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [2,0,0,0,0,0|2,0,0]=4 48 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [2,0,0,0,0,0|2,0,0]=4 49 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [2,0,0,0,0,0|2,0,0]=4 50 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [2,0,0,0,0,0|2,0,0]=4 51 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [2,0,0,0,0,0|2,0,0]=4 52 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [2,0,0,0,0,0|2,0,0]=4 53 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [2,0,0,0,0,0|2,0,0]=4 54 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [2,0,0,0,0,0|2,0,0]=4 55 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [2,0,0,0,0,0|2,0,0]=4 56 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [2,0,0,0,0,0|2,0,0]=4 57 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [2,0,0,0,0,0|2,0,0]=4 58 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [2,0,0,0,0,0|2,0,0]=4 59 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [2,0,0,0,0,0|2,0,0]=4 60 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [2,0,0,0,0,0|2,0,0]=4 61 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [2,0,0,0,0,0|2,0,0]=4 62 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [2,0,0,0,0,0|2,0,0]=4 63 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [2,0,0,0,0,0|2,0,0]=4 64 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [2,0,0,0,0,0|2,0,0]=4 65 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [2,0,0,0,0,0|2,0,0]=4 66 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [2,0,0,0,0,0|2,0,0]=4 67 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [2,0,0,0,0,0|2,0,0]=4 68 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [2,0,0,0,0,0|2,0,0]=4 69 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [2,0,0,0,0,0|2,0,0]=4 70 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [2,0,0,0,0,0|2,0,0]=4 71 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [2,0,0,0,0,0|2,0,0]=4 72 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [2,0,0,0,0,0|2,0,0]=4 73 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [2,0,0,0,0,0|2,0,0]=4 74 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [2,0,0,0,0,0|2,0,0]=4 75 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [2,0,0,0,0,0|1,0,1]=4 76 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [2,0,0,0,0,0|2,0,0]=4 77 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [2,0,0,0,0,0|2,0,0]=4 78 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [2,0,0,0,0,0|2,0,0]=4 79 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [2,0,0,0,0,0|2,0,0]=4 80 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [2,0,0,0,0,0|2,0,0]=4 81 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [2,0,0,0,0,0|2,0,0]=4 82 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [2,0,0,0,0,0|2,0,0]=4 83 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [2,0,0,0,0,0|2,0,0]=4 84 B17R0.117 CCCCC/C=C/COCCCCCCCCO 34a_100016258190_100000033203 [2,0,0,0,0,0|1,0,1]=4 85 B17R0.117 CCCCC/C=C/COCCCCCCCCO 7a_100016258190_100000033203 [2,0,0,0,0,0|1,0,1]=4 86 B17R0.117 CCCCC/C=C\CCCOCCCCCC=O 7a_100020655193_100000139337 [2,0,0,0,0,0|1,0,0]=3 87 B17R0.117 CCCCC/C=C\CCCOCCCCCCO 34a_100020655193_100000766143 [2,0,0,0,0,0|1,0,1]=4 88 B17R0.117 CCCCC/C=C\CCCOCCCCCCO 7a_100020655193_100000766143 [2,0,0,0,0,0|1,0,1]=4 89 B17R0.117 CCCCC/C=C\CCOCCCCCCCO 34a_100016277358_100000760002 [2,0,0,0,0,0|1,0,1]=4 90 B17R0.117 CCCCC/C=C\CCOCCCCCCCO 7a_100016277358_100000760002 [2,0,0,0,0,0|1,0,1]=4 91 B17R0.117 CCCCCC/C=C/COCCCCCCCO 34a_200016276170_100000760002 [2,0,0,0,0,0|1,0,0]=3 92 B17R0.117 CCCCCC/C=C/COCCCCCCCO 7a_200016276170_100000760002 [2,0,0,0,0,0|1,0,0]=3 93 B19R1.8985 CCCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210759 [1,0,0,1,0,0|1,0,1]=4 94 B19R1.27390 CCCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210320 [1,0,0,1,0,0|1,0,1]=4 95 B19R1.27390 CCCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210670 [1,0,0,1,0,0|1,0,1]=4 96 B19R1.46531 CCCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215454 [1,0,0,1,0,0|1,0,1]=4 97 B19R1.47245 CCCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210670 [1,0,0,1,0,0|1,0,1]=4 98 B19R1.54339 CCCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210614 [1,0,0,1,0,0|1,0,1]=4 99 B19R1.68071 CCCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000759014 [1,0,0,1,0,0|1,0,1]=4