0 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.30 CC(=O)CCOC/C=C/B(O)O 34a_100000759926_100016262062 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.30 CC(=O)CCOC/C=C/B(O)O 7a_100000759926_100016262062 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.30 CC(=O)CCSC/C=C/B(O)O 62a_100000053229_100016262062 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.30 CC(=O)CCSC/C=C/B(O)O 62a_100016262062_100000053229 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.30 NC(=O)CCOC/C=C/B(O)O 34a_100000757172_100016262062 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.30 NC(=O)CCOC/C=C/B(O)O 7a_100000757172_100016262062 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.30 NC(=O)CCSC/C=C/B(O)O 62a_100000744528_100016262062 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.30 NC(=O)CCSC/C=C/B(O)O 62a_100016262062_100000744528 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.30 NC(=O)COCCNCC(=O)O 269956a_100016091260_100000076697 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.30 O=C(O)CONC/C=C/B(O)O 269956a_100000106656_100016262062 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|2,0,1]=4 39 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [1,0,0,0,0,0|2,0,1]=4 40 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [1,0,0,0,0,0|2,0,1]=4 44 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [1,0,0,0,0,0|2,0,1]=4 51 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,1,0,0,0,0|2,0,1]=4 52 B12R0.42 CC(CNC/C=C/B(O)O)C(=O)O 269956a_100000749485_100016262062 [0,1,0,0,0,0|2,0,1]=4 53 B12R0.42 NC(=O)CCCCNC(=O)C(=O)N 240690a_100000696515_100011215815 [0,1,0,0,0,0|3,0,0]=4 54 B12R0.42 O=C(O)C(F)CNC/C=C/B(O)O 269956a_100000084737_100016262062 [0,1,0,0,0,0|2,0,1]=4 55 B12R0.184 C=C(Br)CCOC/C=C/C(=O)OC 34a_100009813270_100000742655 [0,1,0,0,0,0|3,0,0]=4 56 B12R0.184 C=C(C)CCOC/C=C/C(=O)OC 34a_100000764851_100000742655 [0,1,0,0,0,0|3,0,0]=4 57 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000730704_100000742655 [0,1,0,0,0,0|3,0,0]=4 58 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000742655_100000730704 [0,1,0,0,0,0|3,0,0]=4 59 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,1,0,0,0,0|2,0,1]=4 60 B12R0.184 COC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100000742655 [0,1,0,0,0,0|2,0,1]=4 61 B12R0.184 COC(=O)/C=C/COCCC(=O)C 34a_100000759926_100000742655 [0,1,0,0,0,0|2,0,0]=3 62 B12R0.184 COC(=O)/C=C/COCCC(=O)C 7a_100000759926_100000742655 [0,1,0,0,0,0|2,0,0]=3 63 B12R0.184 COC(=O)/C=C/COCCC(=O)N 34a_100000757172_100000742655 [0,1,0,0,0,0|2,0,0]=3 64 B12R0.184 COC(=O)/C=C/COCCC(=O)N 7a_100000757172_100000742655 [0,1,0,0,0,0|2,0,0]=3 65 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100000742655 [0,1,0,0,0,0|2,0,0]=3 66 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000742655_100000053229 [0,1,0,0,0,0|2,0,0]=3 67 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000742655_100000744528 [0,1,0,0,0,0|2,0,0]=3 68 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000744528_100000742655 [0,1,0,0,0,0|2,0,0]=3 69 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100000742655_100012276601 [0,1,0,0,0,0|2,0,1]=4 70 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100012276601_100000742655 [0,1,0,0,0,0|2,0,1]=4 71 B12R0.184 COC(=O)/C=C/CSCOC(=O)C 62a_100000076356_100000742655 [0,1,0,0,0,0|3,0,0]=4 72 B12R0.184 COC(=O)/C=C/CSCOC(=O)C 62a_100000742655_100000076356 [0,1,0,0,0,0|3,0,0]=4 73 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|1,0,2]=4 74 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|1,0,2]=4 75 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|1,0,2]=4 76 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,1,0,0,0,0|2,0,1]=4 77 B12R0.184 COC(=O)CCCCNCC(=O)N 2230a_100000711301_100000204269 [0,1,0,0,0,0|2,0,1]=4 78 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,1,0,0,0,0|1,0,1]=3 79 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,1,0,0,0,0|2,0,1]=4 80 B12R0.184 COC(=O)CCCCOCC(=O)N 34a_100000059025_100000187820 [0,1,0,0,0,0|2,0,1]=4 81 B12R0.184 COC(=O)CCCCOCC(=O)N 7a_100000059025_100000187820 [0,1,0,0,0,0|2,0,1]=4 82 B12R0.184 COC(=O)CCCCOCC(=O)[O-] 34a_100000059025_100020667443 [0,1,0,0,0,0|1,0,2]=4 83 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000204269_100000747473 [0,1,0,0,0,0|2,0,1]=4 84 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000747473_100000204269 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100000204269_100020667443 [0,1,0,0,0,0|1,0,2]=4 86 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000204269 [0,1,0,0,0,0|1,0,2]=4 87 B12R0.184 COC(=O)CCCNOCC(=O)O 269956a_100000106656_100011218270 [0,1,0,0,0,0|2,0,1]=4 88 B12R0.184 COC(=O)CCSC/C=C/B(O)O 62a_100000204255_100016262062 [0,1,0,0,0,0|2,0,1]=4 89 B12R0.184 COC(=O)CCSC/C=C/B(O)O 62a_100016262062_100000204255 [0,1,0,0,0,0|2,0,1]=4 90 B12R0.184 COC(=O)CNCCCCC(=O)N 34a_100000696515_100000747449 [0,1,0,0,0,0|2,0,1]=4 91 B12R0.184 COC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747449 [0,1,0,0,0,0|2,0,1]=4 92 B12R0.184 COC(=O)COCCCCC(=O)N 34a_100012022536_100000747449 [0,1,0,0,0,0|2,0,1]=4 93 B12R0.184 COC(=O)COCCCCC(=O)N 7a_100012022536_100000747449 [0,1,0,0,0,0|2,0,1]=4 94 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,1,0,0,0,0|2,0,1]=4 95 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,1,0,0,0,0|2,0,1]=4 96 B12R0.270 CC(=O)CCCCC(=O)C=C(C)C 1458a_100000211388_100000735457 [0,1,0,0,0,0|3,0,0]=4 97 B12R0.270 CC(=O)CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000735457 [0,1,0,0,0,0|3,0,0]=4 98 B12R0.270 CC(=O)CCCCC(=O)C=C(C)I 1458a_100025716642_100000735457 [0,1,0,0,0,0|3,0,0]=4 99 B12R0.270 CC(=O)CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000735457 [0,1,0,0,0,0|3,0,0]=4 100 B12R0.270 CC(=O)CCCCC(=O)CC(=O)N 1458a_100134613110_100000735457 [0,1,0,0,0,0|2,0,1]=4 101 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,1,0,0,0,0|2,0,1]=4 102 B12R0.270 NC(=O)NC(=O)CCNCC(=O)O 269956a_100016091260_100000237605 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.105 O=C(O)CNCC1CNC(=O)O1 269956a_100016091260_100000181169 [0,0,0,1,0,0|2,0,1]=4 104 B12R1.105 O=C(O)CNC[C@@H]1CCC(=O)N1 269956a_100016091260_100015189358 [0,0,0,1,0,0|2,0,1]=4 105 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [0,0,0,1,0,0|2,0,1]=4 106 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [0,0,0,1,0,0|1,0,2]=4 107 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,1,0|3,0,0]=4 108 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,1,0|2,0,1]=4 109 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,0,0,0,1,0|3,0,0]=4 110 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,0,0,1,0|3,0,0]=4 111 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,1,0|2,0,1]=4 112 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,0,0,0,1,0|3,0,0]=4 113 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,0,0,0,1,0|3,0,0]=4 114 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,0,0,0,1,0|3,0,0]=4 115 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,0,0,0,1,0|3,0,0]=4 116 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,1,0|3,0,0]=4 117 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,1,0|3,0,0]=4 118 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,1,0|2,0,1]=4 119 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,0,0,1,0|3,0,0]=4 120 B10R0.97 O=C(O)CNC/C=C/B(O)O 269956a_100016091260_100016262062 [0,0,0,0,1,0|2,0,1]=4 121 B10R0.97 O=C(O)CNCCC=C(F)F 269956a_100016091260_200009816681 [0,0,0,0,1,0|3,0,0]=4 122 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,0,0,0,0,1|2,0,1]=4 123 B12R0.268 CC(=O)CCCOC/C=C/B(O)O 34a_100000759063_100016262062 [0,0,0,0,0,1|2,0,1]=4 124 B12R0.268 CC(=O)CCCOC/C=C/B(O)O 7a_100000759063_100016262062 [0,0,0,0,0,1|2,0,1]=4 125 B12R0.268 CC(=O)CCCSC/C=C/B(O)O 62a_100011215641_100016262062 [0,0,0,0,0,1|2,0,1]=4 126 B12R0.268 CC(=O)CCCSC/C=C/B(O)O 62a_100016262062_100011215641 [0,0,0,0,0,1|2,0,1]=4 127 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,0,0,0,0,1|2,0,1]=4 128 B12R0.268 CC(=O)COCCC/C=C/B(O)O 34a_100000211253_200016261450 [0,0,0,0,0,1|2,0,1]=4 129 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,0,0,0,0,1|2,0,1]=4 130 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,0,0,0,0,1|2,0,1]=4 131 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,0,0,0,0,1|1,0,2]=4 132 B12R0.268 NC(=O)CCCNC/C=C/B(O)O 34a_100000739312_100016262062 [0,0,0,0,0,1|2,0,1]=4 133 B12R0.268 NC(=O)CCCSC/C=C/B(O)O 62a_100016262062_100102525003 [0,0,0,0,0,1|2,0,1]=4 134 B12R0.268 NC(=O)CCCSC/C=C/B(O)O 62a_100102525003_100016262062 [0,0,0,0,0,1|2,0,1]=4 135 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,0,0,0,0,1|2,0,1]=4 136 B12R0.268 NC(=O)CNCCC/C=C/B(O)O 2230a_100000711301_200016261450 [0,0,0,0,0,1|2,0,1]=4 137 B12R0.268 NC(=O)CSCCC/C=C/B(O)O 62a_100000747473_200016261450 [0,0,0,0,0,1|2,0,1]=4 138 B12R0.268 NC(=O)CSCCC/C=C/B(O)O 62a_200016261450_100000747473 [0,0,0,0,0,1|2,0,1]=4 139 B12R0.268 O=C(O)CNCCC/C=C/B(O)O 269956a_100016091260_200016261450 [0,0,0,0,0,1|1,0,1]=3 140 B12R0.268 O=C([O-])CSCCC/C=C/B(O)O 62a_100020667443_200016261450 [0,0,0,0,0,1|1,0,2]=4 141 B12R0.268 O=C([O-])CSCCC/C=C/B(O)O 62a_200016261450_100020667443 [0,0,0,0,0,1|1,0,2]=4 142 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|1,0,1]=4 143 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|1,0,1]=4 144 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|1,0,1]=4 145 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [2,0,0,0,0,0|1,0,1]=4 146 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [2,0,0,0,0,0|2,0,0]=4 147 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|1,0,1]=4 148 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|1,0,1]=4 149 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|1,0,1]=4 150 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [2,0,0,0,0,0|1,0,1]=4 151 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [2,0,0,0,0,0|1,0,1]=4 152 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [2,0,0,0,0,0|1,0,1]=4 153 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [1,1,0,0,0,0|1,0,1]=4 154 B11R0.40 C=CCCNC/C=C/C(=O)OC 2230a_100015191253_100000742655 [1,1,0,0,0,0|2,0,0]=4 155 B11R0.40 C=CCCOC/C=C/C(=O)OC 34a_100011205117_100000742655 [1,1,0,0,0,0|2,0,0]=4 156 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000742655_100000754431 [1,1,0,0,0,0|2,0,0]=4 157 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000754431_100000742655 [1,1,0,0,0,0|2,0,0]=4 158 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [1,1,0,0,0,0|1,0,1]=4 159 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [1,1,0,0,0,0|1,0,1]=4 160 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [1,1,0,0,0,0|1,0,1]=4 161 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [1,1,0,0,0,0|1,0,1]=4 162 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [1,1,0,0,0,0|1,0,1]=4 163 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [1,1,0,0,0,0|1,0,1]=4 164 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [1,1,0,0,0,0|1,0,1]=4 165 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [1,1,0,0,0,0|1,0,1]=4 166 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [1,1,0,0,0,0|1,0,1]=4 167 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,1,0,0,0,0|0,0,2]=4 168 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [1,1,0,0,0,0|1,0,1]=4 169 B11R0.148 O=CCCCSC/C=C/B(O)O 62a_100016262062_200011292268 [1,1,0,0,0,0|1,0,1]=4 170 B11R0.148 O=CCCCSC/C=C/B(O)O 62a_200011292268_100016262062 [1,1,0,0,0,0|1,0,1]=4 171 B11R0.148 O=CCSCCC/C=C/B(O)O 62a_200015260668_200016261450 [1,1,0,0,0,0|1,0,1]=4 172 B11R0.148 O=CCSCCC/C=C/B(O)O 62a_200016261450_200015260668 [1,1,0,0,0,0|1,0,1]=4 173 B11R0.176 CC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000735457 [1,1,0,0,0,0|2,0,0]=4 174 B11R0.176 CC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000735457 [1,1,0,0,0,0|2,0,0]=4 175 B11R0.176 CC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000735457 [1,1,0,0,0,0|2,0,0]=4 176 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [1,1,0,0,0,0|2,0,0]=4 177 B13R0.178 CN(CCC/C=C/B(O)O)CC(=O)O 269956a_100000746989_200016261450 [0,1,0,0,0,1|1,0,1]=4 178 B13R0.180 C[C@H](NCCC/C=C/B(O)O)C(=O)O 269956a_100000743915_200016261450 [0,1,0,0,0,1|1,0,1]=4 179 B13R0.202 COC(=O)/C=C/CNCCCC(=O)N 34a_100000739312_100000742655 [0,1,0,0,0,1|1,0,0]=3 180 B13R0.202 COC(=O)/C=C/CNCCCS(=O)C 2230a_200000753449_100000742655 [0,1,0,0,0,1|2,0,0]=4 181 B13R0.202 COC(=O)/C=C/CNCCNC(=O)C 2230a_100000209853_100000742655 [0,1,0,0,0,1|2,0,0]=4 182 B13R0.202 COC(=O)/C=C/CNCCNC(=O)N 34a_100020590234_100000742655 [0,1,0,0,0,1|2,0,0]=4 183 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 34a_100000759063_100000742655 [0,1,0,0,0,1|1,0,0]=3 184 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 7a_100000759063_100000742655 [0,1,0,0,0,1|1,0,0]=3 185 B13R0.202 COC(=O)/C=C/COCCC[N+](=O)[O-] 34a_200000037920_100000742655 [0,1,0,0,0,1|1,0,1]=4 186 B13R0.202 COC(=O)/C=C/COCCNC(=O)C 34a_100000158858_100000742655 [0,1,0,0,0,1|2,0,0]=4 187 B13R0.202 COC(=O)/C=C/COCCNC(=O)N 34a_100000181757_100000742655 [0,1,0,0,0,1|2,0,0]=4 188 B13R0.202 COC(=O)/C=C/COCCOC(=O)N 7a_100000766696_100000742655 [0,1,0,0,0,1|2,0,0]=4 189 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100000742655_100011215641 [0,1,0,0,0,1|1,0,0]=3 190 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100011215641_100000742655 [0,1,0,0,0,1|1,0,0]=3 191 B13R0.202 COC(=O)/C=C/CSCCCC(=O)N 62a_100000742655_100102525003 [0,1,0,0,0,1|1,0,0]=3 192 B13R0.202 COC(=O)/C=C/CSCCCC(=O)N 62a_100102525003_100000742655 [0,1,0,0,0,1|1,0,0]=3 193 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_100000742655_200000718107 [0,1,0,0,0,1|1,0,1]=4 194 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100000742655 [0,1,0,0,0,1|1,0,1]=4 195 B13R0.202 COC(=O)/C=C/CSCCNC(=O)C 62a_100000189650_100000742655 [0,1,0,0,0,1|2,0,0]=4 196 B13R0.202 COC(=O)/C=C/CSCCNC(=O)C 62a_100000742655_100000189650 [0,1,0,0,0,1|2,0,0]=4 197 B13R0.202 COC(=O)/C=C/CSCCNC(=O)N 62a_100000742655_200000034859 [0,1,0,0,0,1|2,0,0]=4 198 B13R0.202 COC(=O)/C=C/CSCCNC(=O)N 62a_200000034859_100000742655 [0,1,0,0,0,1|2,0,0]=4 199 B13R0.202 COC(=O)/C=C/CSCCOC(=O)C 62a_100000742655_100009814007 [0,1,0,0,0,1|2,0,0]=4 200 B13R0.202 COC(=O)/C=C/CSCCOC(=O)C 62a_100009814007_100000742655 [0,1,0,0,0,1|2,0,0]=4 201 B13R0.202 COC(=O)/C=C/CSCCOC(=O)N 62a_100000742655_200011214921 [0,1,0,0,0,1|2,0,0]=4 202 B13R0.202 COC(=O)/C=C/CSCCOC(=O)N 62a_200011214921_100000742655 [0,1,0,0,0,1|2,0,0]=4 203 B13R0.202 COC(=O)CCCCC=NNC(=O)C 4a_100000189765_100000052768 [0,1,0,0,0,1|2,0,0]=4 204 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,1,0,0,0,1|0,0,2]=4 205 B13R0.202 COC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000204269 [0,1,0,0,0,1|1,0,1]=4 206 B13R0.202 COC(=O)CCCSC/C=C/B(O)O 62a_100011218270_100016262062 [0,1,0,0,0,1|1,0,1]=4 207 B13R0.202 COC(=O)CCCSC/C=C/B(O)O 62a_100016262062_100011218270 [0,1,0,0,0,1|1,0,1]=4 208 B13R0.202 COC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000204255 [0,1,0,0,0,1|1,0,1]=4 209 B13R0.202 COC(=O)CSCCC/C=C/B(O)O 62a_100000747449_200016261450 [0,1,0,0,0,1|1,0,1]=4 210 B13R0.202 COC(=O)CSCCC/C=C/B(O)O 62a_200016261450_100000747449 [0,1,0,0,0,1|1,0,1]=4 211 B13R0.1398 CN(C/C=C/B(O)O)CCCC(=O)O 269956a_100000719178_100016262062 [0,1,0,0,0,1|1,0,1]=4 212 B13R0.101 COC(=O)C(=O)NCCCCC(=O)N 11a_100000696515_100000024059 [0,2,0,0,0,0|2,0,0]=4 213 B13R0.101 COC(=O)C(=O)NCCCCC(=O)N 1626a_100000696515_100000024059 [0,2,0,0,0,0|2,0,0]=4 214 B13R0.101 COC(=O)C(=O)NCCCCC(=O)N 240690a_100000696515_100000024059 [0,2,0,0,0,0|2,0,0]=4 215 B13R0.101 COC(=O)C(=O)NCCCCC(=O)N 527a_100000696515_100000024059 [0,2,0,0,0,0|2,0,0]=4 216 B13R0.204 COC(=O)/C=C/COCC(C)C(=O)C 34a_100000032740_100000742655 [0,2,0,0,0,0|2,0,0]=4 217 B13R0.204 COC(=O)/C=C/COCC(C)C(=O)C 7a_100000032740_100000742655 [0,2,0,0,0,0|2,0,0]=4 218 B13R0.204 COC(=O)/C=C/COC[C@H](N)C(=O)N 34a_100000729942_100000742655 [0,2,0,0,0,0|2,0,0]=4 219 B13R0.204 COC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000204269 [0,2,0,0,0,0|1,0,1]=4 220 B13R0.208 COC(=O)/C=C/CN(C)CCC(=O)N 2230a_100000730477_100000742655 [0,2,0,0,0,0|2,0,0]=4 221 B13R0.71 COC(=O)CC(=O)CCCCC(=O)C 1458a_100000211351_100000735457 [0,2,0,0,0,0|1,0,1]=4 222 B13R0.88 CCOC(=O)/C=C/CNOCC(=O)O 269956a_100000106656_100016267167 [0,2,0,0,0,0|2,0,0]=4 223 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 34a_100000759926_100016267167 [0,2,0,0,0,0|2,0,0]=4 224 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 7a_100000759926_100016267167 [0,2,0,0,0,0|2,0,0]=4 225 B13R0.88 CCOC(=O)/C=C/COCCC(=O)N 34a_100000757172_100016267167 [0,2,0,0,0,0|2,0,0]=4 226 B13R0.88 CCOC(=O)/C=C/COCCC(=O)N 7a_100000757172_100016267167 [0,2,0,0,0,0|2,0,0]=4 227 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100016267167 [0,2,0,0,0,0|2,0,0]=4 228 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100016267167_100000053229 [0,2,0,0,0,0|2,0,0]=4 229 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)N 62a_100000744528_100016267167 [0,2,0,0,0,0|2,0,0]=4 230 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)N 62a_100016267167_100000744528 [0,2,0,0,0,0|2,0,0]=4 231 B13R0.88 CCOC(=O)CCCCNCC(=O)O 269956a_100016091260_100000750268 [0,2,0,0,0,0|1,0,1]=4 232 B13R0.198 COC(=O)CCCCC(=O)C=C(C)C 1458a_100000211388_100000204269 [0,2,0,0,0,0|2,0,0]=4 233 B13R0.198 COC(=O)CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000204269 [0,2,0,0,0,0|2,0,0]=4 234 B13R0.198 COC(=O)CCCCC(=O)C=C(C)I 1458a_100025716642_100000204269 [0,2,0,0,0,0|2,0,0]=4 235 B13R0.198 COC(=O)CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000204269 [0,2,0,0,0,0|2,0,0]=4 236 B13R0.198 COC(=O)CCCCC(=O)CC(=O)N 1458a_100000695723_100000187820 [0,2,0,0,0,0|1,0,1]=4 237 B13R0.198 COC(=O)CCCCC(=O)CC(=O)N 1458a_100134613110_100000204269 [0,2,0,0,0,0|1,0,1]=4 238 B13R0.198 COC(=O)CCCCC(=O)CC(=O)[O-] 1458a_100000695723_100020667443 [0,2,0,0,0,0|0,0,2]=4 239 B13R0.198 COC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000204269 [0,2,0,0,0,0|1,0,1]=4 240 B13R0.201 CNC(=O)CCNC/C=C/C(=O)OC 2230a_100000738227_100000742655 [0,2,0,0,0,0|2,0,0]=4 241 B13R0.201 CNC(=O)CCNC/C=C/C(=O)OC 34a_100000738227_100000742655 [0,2,0,0,0,0|2,0,0]=4 242 B13R0.201 CNC(=O)CCOC/C=C/C(=O)OC 34a_100000754576_100000742655 [0,2,0,0,0,0|2,0,0]=4 243 B13R0.201 CNC(=O)CCSC/C=C/C(=O)OC 62a_100000737683_100000742655 [0,2,0,0,0,0|2,0,0]=4 244 B13R0.201 CNC(=O)CCSC/C=C/C(=O)OC 62a_100000742655_100000737683 [0,2,0,0,0,0|2,0,0]=4 245 B13R0.201 COC(=O)/C=C/COCCC(=NO)N 34a_100000749954_100000742655 [0,2,0,0,0,0|2,0,0]=4 246 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000204255_100000742655 [0,2,0,0,0,0|1,0,0]=3 247 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000742655_100000204255 [0,2,0,0,0,0|1,0,0]=3 248 B13R0.201 COC(=O)/C=C/CSCOC(=O)OC 62a_100000742655_100000139417 [0,2,0,0,0,0|2,0,0]=4 249 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [0,2,0,0,0,0|0,0,2]=4 250 B13R0.201 COC(=O)CCCCCNC(=O)CO 188690a_100000184999_100000210174 [0,2,0,0,0,0|1,0,1]=4 251 B13R0.201 COC(=O)CCCCOCC(=O)OC 34a_100000059025_100000747449 [0,2,0,0,0,0|1,0,1]=4 252 B13R0.201 COC(=O)CCCCOCC(=O)OC 7a_100000059025_100000747449 [0,2,0,0,0,0|1,0,1]=4 253 B13R0.201 COC(=O)CCCCSCC(=O)OC 62a_100000204269_100000747449 [0,2,0,0,0,0|1,0,1]=4 254 B13R0.201 COC(=O)CCCCSCC(=O)OC 62a_100000747449_100000204269 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [1,0,0,1,0,0|1,0,1]=4 256 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [1,0,0,1,0,0|1,0,1]=4 257 B13R1.1065 O=C(O)C1CCN1C/C=C/B(O)O 269956a_100000021838_100016262062 [0,0,0,1,0,1|1,0,1]=4 258 B13R1.3576 CC(=O)CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000053229 [0,0,0,1,0,1|2,0,0]=4 259 B13R1.3576 NC(=O)CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000744528 [0,0,0,1,0,1|2,0,0]=4 260 B13R1.3443 CC(=O)CCSC1C=C(C(=O)O1)C 62a_100000053229_200009893386 [0,1,0,1,0,0|2,0,0]=4 261 B13R1.3443 CC(=O)CCSC1C=C(C(=O)O1)C 62a_200009893386_100000053229 [0,1,0,1,0,0|2,0,0]=4 262 B13R1.3443 CC1=CC(OC1=O)SCCC(=O)N 62a_100000744528_200009893386 [0,1,0,1,0,0|2,0,0]=4 263 B13R1.3443 CC1=CC(OC1=O)SCCC(=O)N 62a_200009893386_100000744528 [0,1,0,1,0,0|2,0,0]=4 264 B13R1.60 O=Cc1ccc(o1)CNCC(=O)O 269956a_100016091260_200000079136 [0,1,0,1,0,0|1,0,1]=4 265 B13R1.530 COC(=O)/C=C/CSC1CC(=O)C1 62a_100009894365_100000742655 [0,1,0,1,0,0|2,0,0]=4 266 B13R1.2880 COC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747449 [0,1,0,1,0,0|1,0,1]=4 267 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,2,0|2,0,0]=4 268 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,2,0|2,0,0]=4 269 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,2,0|2,0,0]=4 270 B13R0.179 O=C(O)COCCNC/C=C/B(O)O 269956a_100000700818_100016262062 [0,0,0,0,0,2|1,0,1]=4 271 B13R0.179 O=C(O)CONCCC/C=C/B(O)O 269956a_100000106656_200016261450 [0,0,0,0,0,2|1,0,1]=4