0 B9R0.55 C=C(Br)CCOCC(=O)N 34a_100009813270_100000187820 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.55 C=C(Br)CCOCC(=O)[O-] 34a_100009813270_100020667443 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,0,0,0,0,0|4,0,0]=4 16 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.55 C=C(F)CNOCC(=O)O 269956a_100000106656_100000042424 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.55 C=C(F)COCCC(=O)N 34a_100000757172_100009893438 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.55 C=C(F)COCCC(=O)N 34a_200010262243_100000731001 [0,0,0,0,0,0|4,0,0]=4 26 B9R0.55 C=C(F)COCCC(=O)N 7a_100000757172_100000042424 [0,0,0,0,0,0|4,0,0]=4 27 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,0,0,0,0,0|2,0,1]=3 33 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,0,0,0,0,0|3,1,0]=4 41 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,0,0|3,0,0]=3 42 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,0,0|3,0,0]=3 44 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,0,0|3,0,0]=3 45 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,0,0|3,0,0]=3 46 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,0,0|2,0,1]=3 47 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.55 CC(=O)CCOC[N+](=O)[O-] 34a_100000759926_100000761209 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,0,0|3,0,0]=3 54 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.55 CC(=O)CCSC[N+](=O)[O-] 62a_100000053229_100000761209 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,0,0,0,0,0|4,0,0]=4 65 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,0,0|3,0,0]=3 66 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,0,0|3,0,0]=3 67 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,0,0,0,0,0|4,0,0]=4 69 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,0,0,0,0,0|4,0,0]=4 70 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,0,0,0,0,0|4,0,0]=4 71 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,0,0,0,0,0|4,0,0]=4 72 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,0,0,0,0,0|4,0,0]=4 73 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [0,0,0,0,0,0|4,0,0]=4 74 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [0,0,0,0,0,0|4,0,0]=4 75 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,0,0,0,0|4,0,0]=4 76 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,0,0,0,0|4,0,0]=4 77 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,0,0,0,0|4,0,0]=4 78 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,0,0,0,0,0|4,0,0]=4 79 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,0,0,0,0,0|4,0,0]=4 80 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,0,0,0,0,0|4,0,0]=4 81 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,0|3,0,0]=3 82 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,0,0,0,0|4,0,0]=4 83 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,0,0,0,0|4,0,0]=4 84 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,0|2,0,1]=3 91 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,0|4,0,0]=4 103 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,0|3,0,1]=4 104 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,0,0|2,0,0]=2 110 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,0,0,0,0|3,0,0]=3 111 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,0,0,0,0|3,0,0]=3 112 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,0,0,0,0|2,0,1]=3 113 B9R0.55 NC(=O)CCOC[N+](=O)[O-] 34a_100000757172_100000761209 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,0,0,0,0|3,0,0]=3 115 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,0,0,0,0|3,0,0]=3 116 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,0,0,0,0|2,0,1]=3 117 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,0,0,0,0|2,0,1]=3 118 B9R0.55 NC(=O)CCSC[N+](=O)[O-] 62a_100000744528_100000761209 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,0,0|3,0,0]=3 120 B9R0.55 O=C(O)CONC[N+](=O)[O-] 269956a_100000106656_100000761209 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,0,0|2,0,1]=3 122 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,0,0,0,0,0|4,0,0]=4 123 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|2,0,1]=4 125 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,0,0,0,0,0|3,0,0]=4 131 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [1,0,0,0,0,0|3,0,0]=4 132 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [1,0,0,0,0,0|3,0,0]=4 133 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|2,0,0]=3 134 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|2,0,0]=3 136 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|3,0,0]=4 140 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [1,0,0,0,0,0|3,0,0]=4 141 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [1,0,0,0,0,0|3,0,0]=4 142 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,0,0,0,0,0|2,0,0]=3 143 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [1,0,0,0,0,0|3,0,0]=4 145 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [1,0,0,0,0,0|2,0,1]=4 146 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [1,0,0,0,0,0|3,0,0]=4 147 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [1,0,0,0,0,0|3,0,0]=4 148 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [1,0,0,0,0,0|2,0,1]=4 150 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [1,0,0,0,0,0|3,0,0]=4 151 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,0,0,0,0,0|3,0,0]=4 152 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,0,0,0,0|3,0,0]=4 154 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,0,0,0,0|3,0,0]=4 155 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [1,0,0,0,0,0|3,0,0]=4 156 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [1,0,0,0,0,0|3,0,0]=4 157 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [1,0,0,0,0,0|3,0,0]=4 158 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,0,0,0,0|3,0,0]=4 159 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|3,0,0]=4 160 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|3,0,0]=4 161 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,0,0,0,0,0|3,0,0]=4 162 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,0,0,0,0,0|3,0,0]=4 163 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,1]=4 165 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,1]=3 166 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,1]=3 167 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|3,0,0]=4 169 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,0,0]=3 170 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,0,0]=3 171 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,0,1]=4 172 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,0,1]=4 174 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,0,1]=4 175 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,0]=3 176 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,0]=3 177 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,1]=4 178 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,1]=4 179 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|2,0,1]=4 180 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|3,0,0]=4 183 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|3,0,0]=4 184 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,0,0,0,0,0|2,0,1]=4 186 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,0,0,0,0,0|2,0,1]=4 187 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|2,0,1]=4 188 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|2,0,1]=4 189 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|2,0,1]=4 190 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,1]=4 191 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,0,0,0,0,0|3,0,0]=4 192 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,0,0,0,0,0|3,0,0]=4 193 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|3,0,0]=4 194 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|3,0,0]=4 195 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|3,0,0]=4 198 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|3,0,0]=4 199 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 200 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|3,0,0]=4 202 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|3,0,0]=4 204 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|3,0,0]=4 205 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,0,0,0,0,0|2,0,1]=4 206 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|2,0,1]=4 207 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|2,0,1]=4 208 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,0,0,0,0,0|2,0,0]=3 209 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,0,0,0,0,0|2,0,0]=3 210 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|2,0,1]=4 211 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|2,0,1]=4 212 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,0,0,0,0,0|2,0,0]=3 213 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,0,0,0,0,0|2,0,0]=3 214 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|2,0,1]=4 215 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|2,0,1]=4 216 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|2,0,1]=4 217 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|2,0,1]=4 218 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|2,0,1]=4 219 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,1]=4 220 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|1,0,1]=3 221 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,0,0,0,0,0|2,0,1]=4 222 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|1,0,2]=4 223 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|1,0,2]=4 224 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,0,0,0,0,0|2,0,0]=3 225 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,1]=3 226 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,0,1]=4 227 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|3,0,0]=4 229 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|3,0,0]=4 231 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,1,0,0,0,0|2,0,1]=4 232 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [0,1,0,0,0,0|2,0,1]=4 233 B10R0.15 O=C(O)CNCCS(=O)(=O)[O-] 269956a_100016091260_100000762736 [0,1,0,0,0,0|2,0,1]=4 234 B10R0.55 C#CC(=O)CCCCB(O)O 1458a_100000211873_200009817182 [0,1,0,0,0,0|2,0,1]=4 235 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,1,0,0,0,0|2,0,0]=3 236 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,1,0,0,0,0|3,0,0]=4 237 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [0,1,0,0,0,0|3,0,0]=4 238 B10R0.55 C#CC(=O)CCOCC(=O)N 1458a_100000211873_100000076697 [0,1,0,0,0,0|3,0,0]=4 239 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [0,1,0,0,0,0|3,0,0]=4 240 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,1,0,0,0,0|3,0,0]=4 241 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,1,0,0,0,0|3,0,0]=4 244 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,1,0,0,0,0|3,0,0]=4 245 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,1,0,0,0,0|3,0,0]=4 246 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [0,1,0,0,0,0|3,0,0]=4 247 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [0,1,0,0,0,0|3,0,0]=4 248 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [0,1,0,0,0,0|3,0,0]=4 249 B10R0.55 C=CC(=O)CCCCB(O)O 1458a_100000185746_200009817182 [0,1,0,0,0,0|2,0,1]=4 250 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,1,0,0,0,0|2,0,0]=3 251 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,1,0,0,0,0|3,0,0]=4 252 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,1,0,0,0,0|3,0,0]=4 253 B10R0.55 C=CC(=O)CCOCC(=O)N 1458a_100000185746_100000076697 [0,1,0,0,0,0|3,0,0]=4 254 B10R0.55 C=CC(=O)NCCCC(=O)N 240690a_100000739312_200121576911 [0,1,0,0,0,0|3,0,0]=4 255 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|1,0,0]=2 256 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,1,0,0,0,0|3,0,0]=4 257 B10R0.55 CC(=O)NCCNC(=O)CO 240690a_100000209853_100000210174 [0,1,0,0,0,0|3,0,0]=4 258 B10R0.55 CC(=O)NCCNC(=O)CO 527a_100000209853_100000210174 [0,1,0,0,0,0|3,0,0]=4 259 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,0,0,0,0|2,0,0]=3 260 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,1,0,0,0,0|3,0,0]=4 262 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,0,0,0,0|2,0,0]=3 263 B10R0.55 CC(=O)SCCNC(=O)CO 240690a_100020647217_100000210174 [0,1,0,0,0,0|3,0,0]=4 264 B10R0.55 CC(=O)SCCNC(=O)CO 527a_100020647217_100000210174 [0,1,0,0,0,0|3,0,0]=4 265 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,1,0,0,0,0|2,1,0]=4 266 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,0,0,0,0|2,0,1]=4 267 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,1,0,0,0,0|2,0,1]=4 268 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,0,0,0,0|2,0,0]=3 269 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,1,0,0,0,0|3,0,0]=4 270 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,0|3,0,0]=4 271 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,1,0,0,0,0|3,0,0]=4 272 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,1,0,0,0,0|3,0,0]=4 273 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,1,0,0,0,0|3,0,0]=4 274 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,1,0,0,0,0|3,0,0]=4 275 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,1,0,0,0,0|3,0,0]=4 276 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,1,0,0,0,0|3,0,0]=4 277 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,1,0,0,0,0|3,0,0]=4 278 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,1,0,0,0,0|3,0,0]=4 279 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,1,0,0,0,0|3,0,0]=4 280 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,1,0,0,0,0|3,0,0]=4 281 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,1,0,0,0,0|3,0,0]=4 282 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,1,0,0,0,0|3,0,0]=4 283 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,1,0,0,0,0|3,0,0]=4 284 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,1,0,0,0,0|3,0,0]=4 285 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,1,0,0,0,0|3,0,0]=4 286 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,1,0,0,0,0|3,0,0]=4 287 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,1,0,0,0,0|3,0,0]=4 288 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,1,0,0,0,0|3,0,0]=4 289 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,1,0,0,0,0|3,0,0]=4 290 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,1,0,0,0,0|3,0,0]=4 291 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [0,1,0,0,0,0|3,0,0]=4 292 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [0,1,0,0,0,0|3,0,0]=4 293 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [0,1,0,0,0,0|3,0,0]=4 294 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,1,0,0,0,0|2,0,0]=3 295 B10R0.55 CNC(=O)CCNCC(=O)[O-] 34a_100000738227_100020667443 [0,1,0,0,0,0|2,0,1]=4 296 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,1,0,0,0,0|3,0,0]=4 297 B10R0.55 CNC(=O)CCOCC(=O)N 34a_100000754576_100000187820 [0,1,0,0,0,0|3,0,0]=4 298 B10R0.55 CNC(=O)CCOCC(=O)[O-] 34a_100000754576_100020667443 [0,1,0,0,0,0|2,0,1]=4 299 B10R0.55 CNC(=O)CCSCC(=O)N 11a_106832991635_100000148550 [0,1,0,0,0,0|3,0,0]=4 300 B10R0.55 CNC(=O)CCSCC(=O)N 240690a_100102657272_100000148550 [0,1,0,0,0,0|3,0,0]=4 301 B10R0.55 CNC(=O)CCSCC(=O)N 527a_100102657272_100000148550 [0,1,0,0,0,0|3,0,0]=4 302 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000737683_100000747473 [0,1,0,0,0,0|3,0,0]=4 303 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000747473_100000737683 [0,1,0,0,0,0|3,0,0]=4 304 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100000737683_100020667443 [0,1,0,0,0,0|2,0,1]=4 305 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737683 [0,1,0,0,0,0|2,0,1]=4 306 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [0,1,0,0,0,0|3,0,0]=4 307 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [0,1,0,0,0,0|3,0,0]=4 308 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,1,0,0,0,0|3,0,0]=4 309 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,1,0,0,0,0|3,0,0]=4 310 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000750040_100000731001 [0,1,0,0,0,0|3,0,0]=4 311 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000757172_100000183359 [0,1,0,0,0,0|3,0,0]=4 312 B10R0.55 CNC(=O)COCCC(=O)N 7a_100000757172_100000183359 [0,1,0,0,0,0|3,0,0]=4 313 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,1,0,0,0,0|3,0,0]=4 314 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,1,0,0,0,0|3,0,0]=4 315 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000183359_100000744528 [0,1,0,0,0,0|3,0,0]=4 316 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000744528_100000183359 [0,1,0,0,0,0|3,0,0]=4 317 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100000739312_100102657272 [0,1,0,0,0,0|3,0,0]=4 318 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100102657272_100000739312 [0,1,0,0,0,0|3,0,0]=4 319 B10R0.55 CNC(=O)NCCCC(=O)N 512a_100000739312_100102657272 [0,1,0,0,0,0|3,0,0]=4 320 B10R0.55 CNC(=O)NCCCC(=O)N 512a_106832991638_100000739312 [0,1,0,0,0,0|3,0,0]=4 321 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,0|1,0,0]=2 322 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,0|1,0,0]=2 323 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,0|1,0,0]=2 324 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,1,0,0,0,0|3,0,0]=4 325 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,1,0,0,0,0|3,0,0]=4 326 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,1,0,0,0,0|2,0,0]=3 327 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [0,1,0,0,0,0|2,0,0]=3 328 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,1,0,0,0,0|1,0,0]=2 329 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,0|2,0,1]=4 330 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,0|2,0,1]=4 331 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,1,0,0,0,0|2,0,0]=3 332 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [0,1,0,0,0,0|2,0,0]=3 333 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [0,1,0,0,0,0|2,0,0]=3 334 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [0,1,0,0,0,0|1,0,1]=3 335 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [0,1,0,0,0,0|1,0,1]=3 336 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,1,0,0,0,0|2,0,1]=4 337 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,1,0,0,0,0|2,0,1]=4 339 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,1,0,0,0,0|2,0,1]=4 340 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [0,1,0,0,0,0|2,0,1]=4 341 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,0|2,0,1]=4 342 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,1,0,0,0,0|2,0,0]=3 343 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,1,0,0,0,0|2,0,0]=3 344 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,1,0,0,0,0|2,0,0]=3 345 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,1,0,0,0,0|2,0,0]=3 346 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [0,1,0,0,0,0|2,0,0]=3 347 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [0,1,0,0,0,0|2,0,0]=3 348 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,1,0,0,0,0|2,0,0]=3 349 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,1,0,0,0,0|2,0,0]=3 350 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [0,1,0,0,0,0|2,0,0]=3 351 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [0,1,0,0,0,0|2,0,0]=3 352 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,1,0,0,0,0|2,0,1]=4 353 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,1,0,0,0,0|2,0,1]=4 354 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,1,0,0,0,0|3,0,0]=4 355 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,1,0,0,0,0|3,0,0]=4 356 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,1,0,0,0,0|2,0,0]=3 357 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,1,0,0,0,0|2,0,0]=3 358 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [0,1,0,0,0,0|3,0,0]=4 359 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [0,1,0,0,0,0|2,0,1]=4 360 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,1,0,0,0,0|3,0,0]=4 361 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,1,0,0,0,0|3,0,0]=4 362 B10R0.55 NC(=NO)CCOCC(=O)[O-] 34a_100000749954_100020667443 [0,1,0,0,0,0|2,0,1]=4 363 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [0,1,0,0,0,0|2,0,0]=3 364 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [0,1,0,0,0,0|2,0,0]=3 365 B10R0.55 NC(=O)COCCC(=NO)N 34a_100000749954_100000187820 [0,1,0,0,0,0|3,0,0]=4 366 B10R0.55 NC(=O)COCCC(=O)CO 1458a_100000210174_100000076697 [0,1,0,0,0,0|2,0,0]=3 367 B10R0.55 NC(=O)CSCCC(=O)CF 1458a_100000148550_100015361967 [0,1,0,0,0,0|3,0,0]=4 368 B10R0.55 NC(=O)NCCNC(=O)CO 240690a_100020590234_100000210174 [0,1,0,0,0,0|3,0,0]=4 369 B10R0.55 NC(=O)NCCNC(=O)CO 527a_100020590234_100000210174 [0,1,0,0,0,0|3,0,0]=4 370 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [0,1,0,0,0,0|1,0,1]=3 371 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,1,0,0,0,0|3,0,0]=4 372 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,1,0,0,0,0|3,0,0]=4 373 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,0,0|2,0,0]=3 374 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,1,0,0,0,0|3,0,0]=4 375 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,1,0,0,0,0|3,0,0]=4 376 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,1,0,0,0,0|2,0,1]=4 377 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000730477_100000747473 [0,1,0,0,0,0|3,0,0]=4 378 B10R0.96 CN(CCC(=O)N)CC(=O)N 2230a_100000739694_100000744528 [0,1,0,0,0,0|3,0,0]=4 379 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,1,0,0,0,0|2,0,0]=3 380 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,1,0,0,0,0|2,0,1]=4 381 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,1,0,0,0,0|1,0,2]=4 382 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,1,0,0,0,0|3,0,0]=4 385 B10R0.98 C=C(F)CNCC(C)C(=O)O 269956a_100000749485_100000042424 [0,1,0,0,0,0|3,0,0]=4 386 B10R0.98 C=C(F)CNCC(F)C(=O)O 269956a_100000084737_100000042424 [0,1,0,0,0,0|3,0,0]=4 387 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,1,0,0,0,0|2,0,1]=4 388 B10R0.98 CC(=O)C(C)COCC(=O)N 34a_100000032740_100000187820 [0,1,0,0,0,0|3,0,0]=4 389 B10R0.98 CC(=O)C(C)COCC(=O)N 7a_100000032740_100000187820 [0,1,0,0,0,0|3,0,0]=4 390 B10R0.98 CC(=O)C(C)COCC(=O)[O-] 34a_100000032740_100020667443 [0,1,0,0,0,0|2,0,1]=4 391 B10R0.98 CC(=O)C(C)NOCC(=O)O 269956a_100000106656_100009814033 [0,1,0,0,0,0|3,0,0]=4 392 B10R0.98 CC(=O)C(C)OCCC(=O)N 34a_100000212229_100000731001 [0,1,0,0,0,0|3,0,0]=4 393 B10R0.98 CC(=O)C(C)OCCC(=O)N 7a_100000757172_100000179758 [0,1,0,0,0,0|3,0,0]=4 394 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [0,1,0,0,0,0|3,0,0]=4 395 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [0,1,0,0,0,0|3,0,0]=4 396 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,0,0|2,0,0]=3 397 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,1,0,0,0,0|3,0,0]=4 398 B10R0.98 CC(=O)CCOC(C)C(=O)N 34a_100000759926_100000702099 [0,1,0,0,0,0|3,0,0]=4 399 B10R0.98 CC(=O)CCOC(C)C(=O)N 7a_100000759926_100000702099 [0,1,0,0,0,0|3,0,0]=4 400 B10R0.98 CC(=O)CCOC(F)C(=O)N 34a_100000759926_100009813875 [0,1,0,0,0,0|3,0,0]=4 401 B10R0.98 CC(=O)CCOC(F)C(=O)N 7a_100000759926_100009813875 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.98 CC(=O)CCOC(F)C(=O)[O-] 34a_100000759926_100020610796 [0,1,0,0,0,0|2,0,1]=4 403 B10R0.98 CC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000053229 [0,1,0,0,0,0|2,0,1]=4 404 B10R0.98 CC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000053229 [0,1,0,0,0,0|3,0,0]=4 405 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,0,0,0,0|3,0,0]=4 406 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,0,0,0,0|3,0,0]=4 407 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,1,0,0,0,0|3,0,0]=4 408 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,1,0,0,0,0|3,0,0]=4 409 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100000053229_100009813875 [0,1,0,0,0,0|3,0,0]=4 410 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100009813875_100000053229 [0,1,0,0,0,0|3,0,0]=4 411 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100000053229_100020610796 [0,1,0,0,0,0|2,0,1]=4 412 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000053229 [0,1,0,0,0,0|2,0,1]=4 413 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,1,0,0,0,0|3,0,0]=4 414 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,0,0|2,0,0]=3 415 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,0,0|1,0,1]=3 416 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,1,0,0,0,0|2,0,1]=4 417 B10R0.98 CC(CNC[N+](=O)[O-])C(=O)O 269956a_100000749485_100000761209 [0,1,0,0,0,0|2,0,1]=4 418 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,1,0,0,0,0|2,0,1]=4 419 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,1,0,0,0,0|2,0,1]=4 420 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,1,0,0,0,0|2,0,1]=4 421 B10R0.98 CC(OCCC(=O)N)C(=O)N 34a_100000757172_100000702099 [0,1,0,0,0,0|3,0,0]=4 422 B10R0.98 CC(OCCC(=O)N)C(=O)N 7a_100000757172_100000702099 [0,1,0,0,0,0|3,0,0]=4 423 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [0,1,0,0,0,0|3,0,0]=4 424 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [0,1,0,0,0,0|3,0,0]=4 425 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 2230a_100000119354_100000744528 [0,1,0,0,0,0|3,0,0]=4 426 B10R0.98 C[C@@H](NCCC(=O)N)C(=O)N 34a_100000119354_100000731001 [0,1,0,0,0,0|3,0,0]=4 427 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,1,0,0,0,0|2,0,1]=4 428 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 34a_100000731257_100000731001 [0,1,0,0,0,0|3,0,0]=4 429 B10R0.98 C[C@@H](OCCC(=O)N)C(=O)N 7a_100000731257_100000744528 [0,1,0,0,0,0|3,0,0]=4 430 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,0,0|2,0,0]=3 431 B10R0.98 C[C@H](OCCC(=O)N)C(=O)[O-] 7a_217856618621_100000744528 [0,1,0,0,0,0|2,0,1]=4 432 B10R0.98 NC(=O)CCOC(F)C(=O)N 34a_100000757172_100009813875 [0,1,0,0,0,0|3,0,0]=4 433 B10R0.98 NC(=O)CCOC(F)C(=O)N 7a_100000757172_100009813875 [0,1,0,0,0,0|3,0,0]=4 434 B10R0.98 NC(=O)CCOC(F)C(=O)[O-] 34a_100000757172_100020610796 [0,1,0,0,0,0|2,0,1]=4 435 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100000744528_100009813875 [0,1,0,0,0,0|3,0,0]=4 436 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100009813875_100000744528 [0,1,0,0,0,0|3,0,0]=4 437 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100000744528_100020610796 [0,1,0,0,0,0|2,0,1]=4 438 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000744528 [0,1,0,0,0,0|2,0,1]=4 439 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,0,0|2,0,0]=3 440 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,0|3,0,0]=4 441 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,1,0,0,0,0|2,0,1]=4 442 B10R0.98 O=C(O)C(F)CNC[N+](=O)[O-] 269956a_100000084737_100000761209 [0,1,0,0,0,0|2,0,1]=4 443 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,0,0|1,0,1]=3 444 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,0,0|2,0,0]=3 445 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,0,0|2,0,0]=3 446 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,0,0|2,0,0]=3 447 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,0,0|2,0,0]=3 448 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,0,0,1,0,0|3,0,0]=4 449 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,0|3,0,0]=4 450 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,0,0|2,0,0]=3 451 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,0|3,0,0]=4 452 B10R1.82 NC(=O)CSC1CC(=O)C1 62a_100009894365_100000747473 [0,0,0,1,0,0|3,0,0]=4 453 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,0,0,1,0,0|2,0,0]=3 454 B10R1.82 O=C([O-])CSC1CC(=O)C1 62a_100009894365_100020667443 [0,0,0,1,0,0|2,0,1]=4 455 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|2,0,1]=4 456 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,0|3,0,0]=4 457 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,0|3,0,0]=4 458 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|2,0,0]=3 459 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|2,0,1]=4 460 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,0|3,0,0]=4 461 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,0|3,0,0]=4 462 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|2,0,0]=3 463 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,0,1,0,0|2,0,1]=4 464 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,0,0,1,0,0|3,0,0]=4 465 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,0,0,1,0,0|3,0,0]=4 466 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,1,0|3,0,0]=4 467 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,1,0|3,0,0]=4 468 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,1,0|2,0,0]=3 469 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,1,0|2,0,0]=3 470 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,1,0|2,0,1]=4 471 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,0,0,0,1,0|2,0,1]=4 472 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,1,0|3,0,0]=4 473 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,1,0|3,0,0]=4 474 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,1,0|3,0,0]=4 475 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,1,0|3,0,0]=4 476 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,1,0|3,0,0]=4 477 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,1,0|3,0,0]=4 478 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,1,0|3,0,0]=4 479 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,1,0|3,0,0]=4 480 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,1,0|3,0,0]=4 481 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,1,0|2,0,1]=4 482 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,1,0|3,0,0]=4 483 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,1,0|3,0,0]=4 484 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,1,0|3,0,0]=4 485 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,1,0|3,0,0]=4 486 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,1,0|3,0,0]=4 487 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,1,0|2,0,1]=4 488 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,1,0|3,0,0]=4 489 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,1,0|3,0,0]=4 490 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,1,0|2,0,1]=4 491 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,0,0,1,0|3,0,0]=4 492 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,1,0|2,0,0]=3 493 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,0,0,1,0|3,0,0]=4 494 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,0,0,1,0|2,0,1]=4 495 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,0,0,1,0|2,0,1]=4 496 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,1,0|2,0,1]=4 497 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,1,0|1,0,1]=3 498 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,0,0,1,0|1,0,2]=4 499 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,0,0,0,1,0|2,0,1]=4 500 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,1,0|3,0,0]=4 501 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,1,0|3,0,0]=4 502 B10R0.97 C=C(Br)CCOCCC(=O)N 34a_100009813270_100000731001 [0,0,0,0,0,1|3,0,0]=4 503 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,0,0,0,0,1|3,0,0]=4 504 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,0,0,0,0,1|3,0,0]=4 505 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,0,0,0,0,1|3,0,0]=4 506 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,0,0,0,0,1|3,0,0]=4 507 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,0,0,0,0,1|3,0,0]=4 508 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,0,0,0,0,1|3,0,0]=4 509 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,0,0,0,0,1|3,0,0]=4 510 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,0,0,0,0,1|3,0,0]=4 511 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,0,0,0,0,1|3,0,0]=4 512 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,0,0,0,0,1|3,0,0]=4 513 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,0,0,0,0,1|3,0,0]=4 514 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,0,0,0,0,1|3,0,0]=4 515 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,0,0,0,0,1|3,0,0]=4 516 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,0,0,0,0,1|3,0,0]=4 517 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,0,0,0,0,1|3,0,0]=4 518 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,0,0,0,0,1|3,0,0]=4 519 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,0,0,0,0,1|3,0,0]=4 520 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,0,0,0,0,1|3,0,0]=4 521 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,0,0,0,0,1|3,0,0]=4 522 B10R0.97 C=C(F)CNCCCC(=O)N 34a_100000739312_100009893438 [0,0,0,0,0,1|3,0,0]=4 523 B10R0.97 C=C(F)COCCCC(=O)C 34a_100000759063_100009893438 [0,0,0,0,0,1|3,0,0]=4 524 B10R0.97 C=C(F)COCCCC(=O)C 34a_200010262243_100000685027 [0,0,0,0,0,1|3,0,0]=4 525 B10R0.97 C=C(F)COCCCC(=O)C 7a_100000759063_100000042424 [0,0,0,0,0,1|3,0,0]=4 526 B10R0.97 C=C(F)COCCCC(=O)N 34a_200010262243_100102525003 [0,0,0,0,0,1|3,0,0]=4 527 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100000042424_100011215641 [0,0,0,0,0,1|3,0,0]=4 528 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100011215641_100000042424 [0,0,0,0,0,1|3,0,0]=4 529 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100000042424_100102525003 [0,0,0,0,0,1|3,0,0]=4 530 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100102525003_100000042424 [0,0,0,0,0,1|3,0,0]=4 531 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,0,1|2,0,1]=4 532 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,0,0,0,0,1|2,0,1]=4 533 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,0,1|2,0,0]=3 534 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,0,0,0,0,1|2,0,1]=4 535 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,0,0,0,0,1|2,0,0]=3 536 B10R0.97 CC(=O)CCCCO[N+](=O)[O-] 1458a_100000070787_100015694321 [0,0,0,0,0,1|2,0,1]=4 537 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,0,0,0,1|2,0,0]=3 538 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,0,1|1,0,0]=2 539 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,0,0,0,0,1|2,0,1]=4 540 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,0,0,0,0,1|2,0,0]=3 541 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,0,0,0,0,1|2,0,0]=3 542 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,0,0,0,0,1|2,0,0]=3 543 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,0,0,0,0,1|1,0,1]=3 544 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,0,0,0,0,1|2,0,1]=4 545 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,0,0,0,0,1|2,0,1]=4 546 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,0,0,0,0,1|2,0,1]=4 547 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,0,0,0,0,1|2,0,1]=4 548 B10R0.97 CC(=O)CCCOC[N+](=O)[O-] 34a_100000759063_100000761209 [0,0,0,0,0,1|2,0,1]=4 549 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,0,0,0,0,1|2,0,0]=3 550 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,0,0,0,0,1|2,0,0]=3 551 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,0,0,0,0,1|1,0,1]=3 552 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,0,0,0,0,1|1,0,1]=3 553 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,0,0,0,0,1|2,0,1]=4 554 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,0,0,0,0,1|2,0,1]=4 555 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,0,0,0,0,1|2,0,1]=4 556 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,0,0,0,0,1|2,0,1]=4 557 B10R0.97 CC(=O)CCCSC[N+](=O)[O-] 62a_100011215641_100000761209 [0,0,0,0,0,1|2,0,1]=4 558 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,0,1|2,0,0]=3 559 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,0,0,0,0,1|2,0,0]=3 560 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,0,0,0,0,1|2,0,0]=3 561 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,0,0,0,0,1|2,0,0]=3 562 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,0,0,0,0,1|2,0,0]=3 563 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,0,0,0,0,1|2,0,1]=4 564 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,0,0,0,0,1|2,0,1]=4 565 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,0,0,0,0,1|3,0,0]=4 566 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,0,0,0,0,1|2,0,0]=3 567 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,0,0,0,0,1|2,0,0]=3 568 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,0,0,0,0,1|2,0,0]=3 569 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,0,0,0,0,1|2,0,1]=4 570 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,0,0,0,0,1|2,0,1]=4 571 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,0,0,0,0,1|3,0,0]=4 572 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,0,0,0,0,1|3,0,0]=4 573 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,0,0,0,0,1|2,0,0]=3 574 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,0,0,0,0,1|2,0,1]=4 575 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,0,0,0,0,1|3,0,0]=4 576 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,0,0,0,0,1|3,0,0]=4 577 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,0,0,0,0,1|2,0,0]=3 578 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,0,0,0,0,1|2,0,0]=3 579 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,0,0,0,0,1|2,0,0]=3 580 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,0,0,0,0,1|2,0,0]=3 581 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,0,0,0,0,1|3,0,0]=4 582 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,0,0,0,0,1|3,0,0]=4 583 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,0,0,0,0,1|3,0,0]=4 584 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,0,0,0,0,1|3,0,0]=4 585 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,0,0,0,0,1|3,0,0]=4 586 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,0,1|2,0,0]=3 587 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [0,0,0,0,0,1|3,0,0]=4 588 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [0,0,0,0,0,1|2,0,1]=4 589 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [0,0,0,0,0,1|3,0,0]=4 590 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [0,0,0,0,0,1|3,0,0]=4 591 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [0,0,0,0,0,1|2,0,1]=4 592 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [0,0,0,0,0,1|2,0,1]=4 593 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,0,1|2,0,0]=3 594 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [0,0,0,0,0,1|3,0,0]=4 595 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [0,0,0,0,0,1|3,0,0]=4 596 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [0,0,0,0,0,1|2,0,1]=4 597 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [0,0,0,0,0,1|2,0,1]=4 598 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,0,0,0,0,1|3,0,0]=4 599 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,0,0,0,0,1|3,0,0]=4 600 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,0,0,0,0,1|3,0,0]=4 601 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,0,0,0,0,1|3,0,0]=4 602 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,0,0,0,0,1|2,0,1]=4 603 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,0,0,0,0,1|2,0,1]=4 604 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,0,0,0,0,1|1,0,1]=3 605 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,0,0,0,0,1|2,0,1]=4 606 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,0,0,0,0,1|2,0,1]=4 607 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,0,0,0,0,1|1,0,2]=4 608 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,0,0,0,0,1|1,0,2]=4 609 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,0,0,0,0,1|2,0,1]=4 610 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,0,0,0,0,1|2,0,1]=4 611 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,0,0,0,0,1|2,0,1]=4 612 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,0,0,0,0,1|2,0,1]=4 613 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,0,0,0,0,1|2,0,1]=4 614 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,0,0,0,0,1|2,0,1]=4 615 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,0,0,0,0,1|2,0,1]=4 616 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,0,0,0,0,1|2,0,1]=4 617 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,0,0,0,0,1|2,0,1]=4 618 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,0,0,0,0,1|2,0,1]=4 619 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,0,0,0,0,1|3,0,0]=4 620 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,0,0,0,0,1|3,0,0]=4 621 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,0,0,0,0,1|2,0,1]=4 622 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,0,0,0,0,1|2,0,1]=4 623 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,0,0,0,0,1|2,0,1]=4 624 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [0,0,0,0,0,1|2,0,0]=3 625 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,0,1|1,0,0]=2 626 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [0,0,0,0,0,1|1,0,1]=3 627 B10R0.97 NC(=O)CCCNC[N+](=O)[O-] 34a_100000739312_100000761209 [0,0,0,0,0,1|2,0,1]=4 628 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [0,0,0,0,0,1|2,0,0]=3 629 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [0,0,0,0,0,1|2,0,0]=3 630 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [0,0,0,0,0,1|1,0,1]=3 631 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [0,0,0,0,0,1|1,0,1]=3 632 B10R0.97 NC(=O)CCCSC[N+](=O)[O-] 62a_100102525003_100000761209 [0,0,0,0,0,1|2,0,1]=4 633 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,0,0,0,0,1|2,0,0]=3 634 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [0,0,0,0,0,1|2,0,0]=3 635 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [0,0,0,0,0,1|2,0,0]=3 636 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [0,0,0,0,0,1|2,0,0]=3 637 B10R0.97 NC(=O)CNCCNC(=O)N 2230a_100000711301_200000034859 [0,0,0,0,0,1|3,0,0]=4 638 B10R0.97 NC(=O)CNCCNC(=O)N 34a_100020590234_100000187820 [0,0,0,0,0,1|3,0,0]=4 639 B10R0.97 NC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000187820 [0,0,0,0,0,1|2,0,1]=4 640 B10R0.97 NC(=O)COCCNC(=O)N 34a_100000181757_100000187820 [0,0,0,0,0,1|3,0,0]=4 641 B10R0.97 NC(=O)COCCOC(=O)N 7a_100000766696_100000187820 [0,0,0,0,0,1|3,0,0]=4 642 B10R0.97 NC(=O)CSCCNC(=O)N 62a_100000747473_200000034859 [0,0,0,0,0,1|3,0,0]=4 643 B10R0.97 NC(=O)CSCCNC(=O)N 62a_200000034859_100000747473 [0,0,0,0,0,1|3,0,0]=4 644 B10R0.97 NC(=O)CSCCOC(=O)N 62a_100000747473_200011214921 [0,0,0,0,0,1|3,0,0]=4 645 B10R0.97 NC(=O)CSCCOC(=O)N 62a_200011214921_100000747473 [0,0,0,0,0,1|3,0,0]=4 646 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,0,0,0,1|2,0,0]=3 647 B10R0.97 NC(=O)NCCNCC(=O)[O-] 34a_100020590234_100020667443 [0,0,0,0,0,1|2,0,1]=4 648 B10R0.97 NC(=O)NCCOCC(=O)[O-] 34a_100000181757_100020667443 [0,0,0,0,0,1|2,0,1]=4 649 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_100020667443_200000034859 [0,0,0,0,0,1|2,0,1]=4 650 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_200000034859_100020667443 [0,0,0,0,0,1|2,0,1]=4 651 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_100020667443_200011214921 [0,0,0,0,0,1|2,0,1]=4 652 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_200011214921_100020667443 [0,0,0,0,0,1|2,0,1]=4 653 B10R0.97 O=C(O)CNCCC=C(F)F 269956a_100016091260_200009816681 [0,0,0,0,0,1|2,0,1]=4 654 B10R0.97 O=C([O-])COCCC[N+](=O)[O-] 34a_200000037920_100020667443 [0,0,0,0,0,1|1,0,2]=4 655 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,0,0,0,0,1|2,0,1]=4 656 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [2,0,0,0,0,0|2,0,0]=4 657 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [2,0,0,0,0,0|2,0,0]=4 658 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [2,0,0,0,0,0|2,0,0]=4 659 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [2,0,0,0,0,0|2,0,0]=4 660 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 661 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|2,0,0]=4 662 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|2,0,0]=4 663 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|2,0,0]=4 664 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|1,0,1]=4 665 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|1,0,1]=4 666 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|2,0,0]=4 667 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|2,0,0]=4 668 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|1,0,1]=4 669 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|1,0,1]=4 670 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|1,0,1]=4 671 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [2,0,0,0,0,0|1,0,1]=4 672 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 673 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,0]=3 674 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,0]=3 675 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [2,0,0,0,0,0|2,0,0]=4 676 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 677 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 678 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 679 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 680 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,1]=4 681 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,1]=4 682 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,1]=4 683 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,1]=4 684 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [2,0,0,0,0,0|2,0,0]=4 685 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [2,0,0,0,0,0|2,0,0]=4 686 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [2,0,0,0,0,0|2,0,0]=4 687 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [2,0,0,0,0,0|2,0,0]=4 688 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [2,0,0,0,0,0|2,0,0]=4 689 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [2,0,0,0,0,0|2,0,0]=4 690 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [2,0,0,0,0,0|2,0,0]=4 691 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [2,0,0,0,0,0|2,0,0]=4 692 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 693 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|1,0,0]=3 694 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [2,0,0,0,0,0|1,0,1]=4 695 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [2,0,0,0,0,0|1,0,1]=4 696 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [2,0,0,0,0,0|1,0,1]=4 697 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [2,0,0,0,0,0|1,0,0]=3 698 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [2,0,0,0,0,0|1,0,1]=4 699 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [2,0,0,0,0,0|1,0,1]=4 700 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,0]=3 701 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 702 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [1,1,0,0,0,0|2,0,0]=4 703 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [1,1,0,0,0,0|1,0,1]=4 704 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [1,1,0,0,0,0|1,0,1]=4 705 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [1,1,0,0,0,0|1,0,1]=4 706 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,1,0,0,0,0|1,0,1]=4 707 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,1,0,0,0,0|2,0,0]=4 708 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,1,0,0,0,0|2,0,0]=4 709 B9R0.2 C=C(F)CSCCCC=O 62a_100000042424_200011292268 [1,1,0,0,0,0|2,0,0]=4 710 B9R0.2 C=C(F)CSCCCC=O 62a_200011292268_100000042424 [1,1,0,0,0,0|2,0,0]=4 711 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|2,0,0]=4 712 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|2,0,0]=4 714 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 715 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 716 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 717 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,1,0,0,0,0|2,0,0]=4 718 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [1,1,0,0,0,0|2,0,0]=4 719 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [1,1,0,0,0,0|2,0,0]=4 720 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [1,1,0,0,0,0|2,0,0]=4 721 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,1,0,0,0,0|1,0,0]=3 722 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [1,1,0,0,0,0|1,0,1]=4 723 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,1,0,0,0,0|2,0,0]=4 724 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [1,1,0,0,0,0|2,0,0]=4 725 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [1,1,0,0,0,0|2,0,0]=4 726 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [1,1,0,0,0,0|1,0,1]=4 727 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [1,1,0,0,0,0|2,0,0]=4 728 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [1,1,0,0,0,0|2,0,0]=4 729 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [1,1,0,0,0,0|1,0,1]=4 730 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [1,1,0,0,0,0|1,0,1]=4 731 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [1,1,0,0,0,0|2,0,0]=4 732 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [1,1,0,0,0,0|2,0,0]=4 733 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,1,0,0,0,0|2,0,0]=4 734 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,1,0,0,0,0|2,0,0]=4 735 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [1,1,0,0,0,0|2,0,0]=4 736 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [1,1,0,0,0,0|2,0,0]=4 737 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [1,1,0,0,0,0|2,0,0]=4 738 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,1,0,0,0,0|2,0,0]=4 739 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,1,0,0,0,0|2,0,0]=4 740 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,1,0,0,0,0|2,0,0]=4 741 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,1,0,0,0,0|2,0,0]=4 742 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [1,1,0,0,0,0|2,0,0]=4 743 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,1,0,0,0,0|2,0,0]=4 744 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,1,0,0,0,0|2,0,0]=4 748 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,1,0,0,0,0|2,0,0]=4 749 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [1,1,0,0,0,0|2,0,0]=4 750 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [1,1,0,0,0,0|2,0,0]=4 751 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,1]=4 753 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,1]=4 754 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,1]=4 755 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|1,0,0]=3 756 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|1,0,0]=3 757 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 758 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 759 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|1,0,0]=3 760 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|1,0,0]=3 761 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|1,0,1]=4 762 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|1,0,1]=4 763 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,1,0,0,0,0|1,0,1]=4 764 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,1,0,0,0,0|1,0,1]=4 765 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,1,0,0,0,0|1,0,1]=4 766 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,1,0,0,0,0|1,0,1]=4 767 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|1,0,1]=4 768 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,1,0,0,0,0|1,0,1]=4 769 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,1,0,0,0,0|2,0,0]=4 770 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,1,0,0,0,0|2,0,0]=4 771 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,1,0,0,0,0|2,0,0]=4 772 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,1,0,0,0,0|2,0,0]=4 773 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,1,0,0,0,0|2,0,0]=4 774 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,1,0,0,0,0|1,0,1]=4 776 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,1,0,0,0,0|1,0,1]=4 777 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,1,0,0,0,0|1,0,1]=4 778 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,1,0,0,0,0|1,0,1]=4 779 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,1,0,0,0,0|1,0,1]=4 780 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 781 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,1]=4 782 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,1]=4 783 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,1]=4 784 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,1]=4 785 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,1]=4 786 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|0,0,2]=4 787 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,1,0,0,0,0|1,0,1]=4 788 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [1,1,0,0,0,0|2,0,0]=4 789 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,1,0,0,0,0|1,0,1]=4 790 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,1,0,0,0,0|1,0,1]=4 791 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,1,0,0,0,0|1,0,1]=4 792 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [1,1,0,0,0,0|1,0,0]=3 793 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,1,0,0,0,0|1,0,1]=4 794 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,1,0,0,0,0|1,0,1]=4 795 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,1,0,0,0,0|1,0,0]=3 796 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,1,0,0,0,0|1,0,0]=3 797 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,1,0,0,0,0|1,0,1]=4 798 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,1,0,0,0,0|1,0,1]=4 799 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,1,0,0,0,0|1,0,1]=4 800 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,1,0,0,0,0|1,0,1]=4 801 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,1,0,0,0,0|1,0,1]=4 802 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,1,0,0,0,0|1,0,1]=4 803 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [1,1,0,0,0,0|1,0,0]=3 804 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,1,0,0,0,0|1,0,1]=4 805 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,1,0,0,0,0|1,0,1]=4 806 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,1,0,0,0,0|1,0,1]=4 807 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [1,1,0,0,0,0|1,0,0]=3 808 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [1,1,0,0,0,0|1,0,0]=3 809 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,1,0,0,0,0|1,0,1]=4 810 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,1,0,0,0,0|1,0,1]=4 811 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [1,1,0,0,0,0|2,0,0]=4 812 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [1,1,0,0,0,0|2,0,0]=4 813 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [1,1,0,0,0,0|2,0,0]=4 816 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [1,1,0,0,0,0|2,0,0]=4 817 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [1,1,0,0,0,0|2,0,0]=4 818 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,1,0,0,0,0|1,0,1]=4 819 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|0,0,1]=3 820 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,1,0,0,0,0|1,0,1]=4 821 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,1,0,0,0,0|0,0,2]=4 822 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,1,0,0,0,0|0,0,2]=4 823 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,1,0,0,0,0|0,0,2]=4 824 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,1,0,0,0,0|0,0,0]=2 825 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [1,1,0,0,0,0|0,0,1]=3 826 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [1,1,0,0,0,0|0,0,1]=3 827 B9R0.2 O=CCCCSC[N+](=O)[O-] 62a_200011292268_100000761209 [1,1,0,0,0,0|1,0,1]=4 828 B9R0.2 O=CCOCCC[N+](=O)[O-] 34a_200000037920_200009817547 [1,1,0,0,0,0|1,0,1]=4 829 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,1]=4 830 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,1]=4 831 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,1]=4 832 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|0,0,2]=4 833 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,1,0,0,0,0|1,0,1]=4 835 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [1,1,0,0,0,0|2,0,0]=4 836 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,1,0,0,0,0|1,0,1]=4 837 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [1,1,0,0,0,0|1,0,1]=4 838 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,1,0,0,0,0|1,0,1]=4 839 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [1,1,0,0,0,0|2,0,0]=4 840 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|2,0,0]=4 841 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|2,0,0]=4 842 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [1,1,0,0,0,0|2,0,0]=4 843 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [1,1,0,0,0,0|1,0,0]=3 844 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,1,0,0,0,0|2,0,0]=4 845 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 846 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 847 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [1,1,0,0,0,0|2,0,0]=4 850 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [1,1,0,0,0,0|2,0,0]=4 852 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [1,1,0,0,0,0|2,0,0]=4 853 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [1,1,0,0,0,0|2,0,0]=4 854 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [1,1,0,0,0,0|2,0,0]=4 855 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [1,1,0,0,0,0|2,0,0]=4 856 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [1,1,0,0,0,0|2,0,0]=4 857 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [1,1,0,0,0,0|2,0,0]=4 858 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|1,0,1]=4 859 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|1,0,1]=4 860 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|1,0,1]=4 861 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,1,0,0,0,0|1,0,1]=4 862 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [1,1,0,0,0,0|2,0,0]=4 863 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [1,1,0,0,0,0|2,0,0]=4 864 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [1,1,0,0,0,0|2,0,0]=4 865 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [1,1,0,0,0,0|2,0,0]=4 866 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [1,1,0,0,0,0|2,0,0]=4 867 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,1,0,0,0,0|2,0,0]=4 868 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,1,0,0,0,0|2,0,0]=4 869 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,1,0,0,0,0|2,0,0]=4 870 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,1,0,0,0,0|2,0,0]=4 871 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,1,0,0,0,0|2,0,0]=4 872 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,1,0,0,0,0|2,0,0]=4 873 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,1,0,0,0,0|2,0,0]=4 874 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,1,0,0,0,0|2,0,0]=4 875 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,1,0,0,0,0|2,0,0]=4 876 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,1,0,0,0,0|1,0,1]=4 877 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,1,0,0,0,0|1,0,1]=4 878 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [1,1,0,0,0,0|1,0,0]=3 879 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [1,1,0,0,0,0|1,0,0]=3 880 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,1,0,0,0,0|1,0,1]=4 881 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,1,0,0,0,0|1,0,1]=4 882 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,1,0,0,0,0|1,0,1]=4 883 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,1,0,0,0,0|1,0,1]=4 884 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [1,1,0,0,0,0|2,0,0]=4 885 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,1,0,0,0,0|2,0,0]=4 886 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,1,0,0,0,0|2,0,0]=4 888 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,1,0,0,0,0|2,0,0]=4 889 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [1,1,0,0,0,0|1,0,1]=4 890 B9R0.46 NC(=NO)CCOCC=O 34a_100000749954_200009817547 [1,1,0,0,0,0|2,0,0]=4 891 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,1,0,0,0,0|1,0,1]=4 892 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|1,0,1]=4 893 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|0,0,1]=3 894 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,1,0,0,0,0|1,0,1]=4 895 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,1,0,0,0,0|1,0,1]=4 896 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,1,0,0,0,0|1,0,1]=4 897 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [1,1,0,0,0,0|2,0,0]=4 898 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [1,1,0,0,0,0|2,0,0]=4 899 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [1,1,0,0,0,0|2,0,0]=4 900 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [1,1,0,0,0,0|2,0,0]=4 901 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [1,1,0,0,0,0|2,0,0]=4 902 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [1,1,0,0,0,0|1,0,0]=3 903 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [1,1,0,0,0,0|1,0,1]=4 904 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [1,1,0,0,0,0|1,0,1]=4 905 B9R0.47 NC(=O)[C@@H](N)COCC=O 34a_100000729942_200009817547 [1,1,0,0,0,0|2,0,0]=4 906 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [1,1,0,0,0,0|1,0,1]=4 907 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [1,1,0,0,0,0|1,0,0]=3 908 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [1,1,0,0,0,0|1,0,1]=4 909 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [1,1,0,0,0,0|2,0,0]=4 910 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,1,0|2,0,0]=4 911 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,1,0|2,0,0]=4 912 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,1,0|1,0,1]=4 913 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,1,0,0,1,0|2,0,0]=4 914 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,1,0,0,1,0|1,0,1]=4 915 B11R0.6 C=C(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748629 [0,1,0,0,0,1|2,0,0]=4 916 B11R0.6 C=C(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748629 [0,1,0,0,0,1|2,0,0]=4 917 B11R0.6 C=C(F)CN(C)CCCC(=O)O 269956a_100000719178_100000042424 [0,1,0,0,0,1|2,0,0]=4 918 B11R0.6 C=C(F)CNCC(O)CC(=O)O 269956a_100011218706_100000042424 [0,1,0,0,0,1|2,0,0]=4 919 B11R0.6 CC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011215641 [0,1,0,0,0,1|2,0,0]=4 920 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,0,0,0,1|1,0,0]=3 921 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,1,0,0,0,1|2,0,0]=4 922 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,1,0,0,0,1|2,0,0]=4 923 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,1,0,0,0,1|1,0,1]=4 924 B11R0.6 CC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218427 [0,1,0,0,0,1|1,0,1]=4 925 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,1,0,0,0,1|1,0,1]=4 926 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,1,0,0,0,1|1,0,0]=3 927 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [0,1,0,0,0,1|1,0,0]=3 928 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [0,1,0,0,0,1|0,0,1]=3 929 B11R0.6 CN(CCCC(=O)O)C[N+](=O)[O-] 269956a_100000719178_100000761209 [0,1,0,0,0,1|1,0,1]=4 930 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,1,0,0,0,1|2,0,0]=4 931 B11R0.6 C[C@@H](O)CN(C)CCCC(=O)O 269956a_100000719178_100009817552 [0,1,0,0,0,1|1,0,1]=4 932 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,1,0,0,0,1|1,0,1]=4 933 B11R0.6 NC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100102525003 [0,1,0,0,0,1|2,0,0]=4 934 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,1,0,0,0,1|1,0,0]=3 935 B11R0.6 O=C(O)CC(O)CNC[N+](=O)[O-] 269956a_100011218706_100000761209 [0,1,0,0,0,1|1,0,1]=4 936 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,1,0,0,0,1|0,0,1]=3 937 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,1,0,0,0,1|2,0,0]=4 938 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,1,0,0,0,1|2,0,0]=4 939 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,1,0,0,0,1|2,0,0]=4 940 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,1,0,0,0,1|2,0,0]=4 941 B11R0.29 CC(=O)C(C)OCCCC(=O)N 34a_100000212229_100102525003 [0,1,0,0,0,1|2,0,0]=4 942 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100009814033_100102525003 [0,1,0,0,0,1|2,0,0]=4 943 B11R0.29 CC(=O)C(C)SCCCC(=O)N 62a_100102525003_100009814033 [0,1,0,0,0,1|2,0,0]=4 944 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,1,0,0,0,1|1,0,0]=3 945 B11R0.29 CC(=O)CCCN[C@H](C)C(=O)N 34a_100000119354_100000685027 [0,1,0,0,0,1|2,0,0]=4 946 B11R0.29 CC(=O)CCCOC(C)C(=O)C 34a_100000212229_100000685027 [0,1,0,0,0,1|2,0,0]=4 947 B11R0.29 CC(=O)CCCOC(C)C(=O)C 7a_100000759063_100000179758 [0,1,0,0,0,1|2,0,0]=4 948 B11R0.29 CC(=O)CCCOC(C)C(=O)N 34a_100000759063_100000702099 [0,1,0,0,0,1|2,0,0]=4 949 B11R0.29 CC(=O)CCCOC(C)C(=O)N 7a_100000759063_100000702099 [0,1,0,0,0,1|2,0,0]=4 950 B11R0.29 CC(=O)CCCOC(F)C(=O)N 34a_100000759063_100009813875 [0,1,0,0,0,1|2,0,0]=4 951 B11R0.29 CC(=O)CCCOC(F)C(=O)N 7a_100000759063_100009813875 [0,1,0,0,0,1|2,0,0]=4 952 B11R0.29 CC(=O)CCCOC(F)C(=O)[O-] 34a_100000759063_100020610796 [0,1,0,0,0,1|1,0,1]=4 953 B11R0.29 CC(=O)CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215641 [0,1,0,0,0,1|1,0,1]=4 954 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 34a_100000731257_100000685027 [0,1,0,0,0,1|2,0,0]=4 955 B11R0.29 CC(=O)CCCO[C@H](C)C(=O)N 7a_100000731257_100011215641 [0,1,0,0,0,1|2,0,0]=4 956 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100009814033_100011215641 [0,1,0,0,0,1|2,0,0]=4 957 B11R0.29 CC(=O)CCCSC(C)C(=O)C 62a_100011215641_100009814033 [0,1,0,0,0,1|2,0,0]=4 958 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100000702099_100011215641 [0,1,0,0,0,1|2,0,0]=4 959 B11R0.29 CC(=O)CCCSC(C)C(=O)N 62a_100011215641_100000702099 [0,1,0,0,0,1|2,0,0]=4 960 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100009813875_100011215641 [0,1,0,0,0,1|2,0,0]=4 961 B11R0.29 CC(=O)CCCSC(F)C(=O)N 62a_100011215641_100009813875 [0,1,0,0,0,1|2,0,0]=4 962 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100011215641_100020610796 [0,1,0,0,0,1|1,0,1]=4 963 B11R0.29 CC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100011215641 [0,1,0,0,0,1|1,0,1]=4 964 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,0,0,0,1|1,0,0]=3 965 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,1,0,0,0,1|1,0,0]=3 966 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,1,0,0,0,1|2,0,0]=4 967 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,1,0,0,0,1|2,0,0]=4 968 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,1,0,0,0,1|2,0,0]=4 969 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,1,0,0,0,1|2,0,0]=4 970 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,1,0,0,0,1|2,0,0]=4 971 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,1,0,0,0,1|1,0,0]=3 972 B11R0.29 CC(NCCCC(=O)N)C(=O)N 34a_100000739312_100000702099 [0,1,0,0,0,1|2,0,0]=4 973 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,1,0,0,0,1|1,0,1]=4 974 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,1,0,0,0,1|1,0,1]=4 975 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,1,0,0,0,1|1,0,1]=4 976 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100000702099_100102525003 [0,1,0,0,0,1|2,0,0]=4 977 B11R0.29 CC(SCCCC(=O)N)C(=O)N 62a_100102525003_100000702099 [0,1,0,0,0,1|2,0,0]=4 978 B11R0.29 C[C@@H](NCCCC(=O)N)C(=O)N 34a_100000119354_100102525003 [0,1,0,0,0,1|2,0,0]=4 979 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 34a_100000731257_100102525003 [0,1,0,0,0,1|2,0,0]=4 980 B11R0.29 C[C@@H](OCCCC(=O)N)C(=O)N 7a_100000731257_100102525003 [0,1,0,0,0,1|2,0,0]=4 981 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,1,0,0,0,1|1,0,0]=3 982 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,1,0,0,0,1|2,0,0]=4 983 B11R0.29 C[C@H](OCCCC(=O)N)C(=O)[O-] 7a_217856618621_100102525003 [0,1,0,0,0,1|1,0,1]=4 984 B11R0.29 NC(=O)CCCNC(F)C(=O)N 34a_100000739312_100009813875 [0,1,0,0,0,1|2,0,0]=4 985 B11R0.29 NC(=O)CCCNC(F)C(=O)[O-] 34a_100000739312_100020610796 [0,1,0,0,0,1|1,0,1]=4 986 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100009813875_100102525003 [0,1,0,0,0,1|2,0,0]=4 987 B11R0.29 NC(=O)CCCSC(F)C(=O)N 62a_100102525003_100009813875 [0,1,0,0,0,1|2,0,0]=4 988 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100020610796_100102525003 [0,1,0,0,0,1|1,0,1]=4 989 B11R0.29 NC(=O)CCCSC(F)C(=O)[O-] 62a_100102525003_100020610796 [0,1,0,0,0,1|1,0,1]=4 990 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,1,0,0,0,1|1,0,0]=3 991 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,1,0,0,0,1|2,0,0]=4 992 B11R0.31 CC(C)(O)CCCNCC(=O)O 269956a_100016091260_100009888830 [0,1,0,0,0,1|1,0,1]=4 993 B11R0.31 CS(=O)(=O)CCCNCC(=O)O 269956a_100016091260_100000754308 [0,1,0,0,0,1|1,0,1]=4 994 B11R0.31 NS(=O)(=O)CCCNCC(=O)O 269956a_100016091260_100000750626 [0,1,0,0,0,1|1,0,1]=4 995 B11R0.31 O=C(O)CNCCCS(=O)(=O)[O-] 269956a_100016091260_100009813499 [0,1,0,0,0,1|1,0,1]=4 996 B11R0.85 CN(CCC(=O)N)CCC(=O)N 2230a_100000730477_100000744528 [0,1,0,0,0,1|2,0,0]=4 997 B11R0.111 C#CC(=O)CCCCCC(=O)N 1458a_100000211873_100009817443 [0,1,0,0,0,1|2,0,0]=4 998 B11R0.111 C#CC(=O)CCCCOC(=O)C 1458a_100000211873_100000033659 [0,1,0,0,0,1|2,0,0]=4 999 B11R0.111 C#CC(=O)CCCCSC(=O)C 1458a_100000211873_200010402107 [0,1,0,0,0,1|2,0,0]=4 1000 B11R0.111 C=C(Br)CCOCCC(=O)OC 34a_100009813270_100000742370 [0,1,0,0,0,1|2,0,0]=4 1001 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,1,0,0,0,1|2,0,0]=4 1002 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,1,0,0,0,1|2,0,0]=4 1003 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,1,0,0,0,1|2,0,0]=4 1004 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,1,0,0,0,1|2,0,0]=4 1005 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,1,0,0,0,1|2,0,0]=4 1006 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,1,0,0,0,1|2,0,0]=4 1007 B11R0.111 C=C(F)COCCCC(=O)OC 34a_200010262243_100000742333 [0,1,0,0,0,1|2,0,0]=4 1008 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100000042424_100011218270 [0,1,0,0,0,1|2,0,0]=4 1009 B11R0.111 C=C(F)CSCCCC(=O)OC 62a_100011218270_100000042424 [0,1,0,0,0,1|2,0,0]=4 1010 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [0,1,0,0,0,1|2,0,0]=4 1011 B11R0.111 C=CC(=O)CCCCOC(=O)C 1458a_100000185746_100000033659 [0,1,0,0,0,1|2,0,0]=4 1012 B11R0.111 C=CC(=O)CCCCSC(=O)C 1458a_100000185746_200010402107 [0,1,0,0,0,1|2,0,0]=4 1013 B11R0.111 C=CC(=O)NCCCCC(=O)N 1626a_100000696515_100000185746 [0,1,0,0,0,1|2,0,0]=4 1014 B11R0.111 C=CC(=O)NCCCCC(=O)N 240690a_100000696515_200121576911 [0,1,0,0,0,1|2,0,0]=4 1015 B11R0.111 CC(=O)NCCCNC(=O)CO 240690a_100000736810_100000210174 [0,1,0,0,0,1|2,0,0]=4 1016 B11R0.111 CC(=O)NCCCNC(=O)CO 527a_100000736810_100000210174 [0,1,0,0,0,1|2,0,0]=4 1017 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,0,0,0,1|1,0,0]=3 1018 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,0,0,0,1|1,0,0]=3 1019 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,1|2,0,0]=4 1020 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,1|2,0,0]=4 1021 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,1|2,0,0]=4 1022 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,1,0,0,0,1|2,0,0]=4 1023 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,1,0,0,0,1|2,0,0]=4 1024 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,1,0,0,0,1|2,0,0]=4 1025 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,1,0,0,0,1|2,0,0]=4 1026 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,1,0,0,0,1|2,0,0]=4 1027 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,1,0,0,0,1|2,0,0]=4 1028 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,1,0,0,0,1|2,0,0]=4 1029 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,1,0,0,0,1|2,0,0]=4 1030 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,1,0,0,0,1|2,0,0]=4 1031 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,1,0,0,0,1|2,0,0]=4 1032 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,1,0,0,0,1|2,0,0]=4 1033 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000711301_100000741757 [0,1,0,0,0,1|2,0,0]=4 1034 B11R0.111 CNC(=O)CCCNCC(=O)N 2230a_100000740002_100000747473 [0,1,0,0,0,1|2,0,0]=4 1035 B11R0.111 CNC(=O)CCCNCC(=O)N 34a_100000740002_100000187820 [0,1,0,0,0,1|2,0,0]=4 1036 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,1,0,0,0,1|1,0,0]=3 1037 B11R0.111 CNC(=O)CCCNCC(=O)[O-] 34a_100000740002_100020667443 [0,1,0,0,0,1|1,0,1]=4 1038 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,1,0,0,0,1|2,0,0]=4 1039 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000741757_100000747473 [0,1,0,0,0,1|2,0,0]=4 1040 B11R0.111 CNC(=O)CCCSCC(=O)N 62a_100000747473_100000741757 [0,1,0,0,0,1|2,0,0]=4 1041 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100000741757_100020667443 [0,1,0,0,0,1|1,0,1]=4 1042 B11R0.111 CNC(=O)CCCSCC(=O)[O-] 62a_100020667443_100000741757 [0,1,0,0,0,1|1,0,1]=4 1043 B11R0.111 CNC(=O)CCNCCC(=O)N 2230a_100000738227_100000744528 [0,1,0,0,0,1|2,0,0]=4 1044 B11R0.111 CNC(=O)CCNCCC(=O)N 34a_100000738227_100000731001 [0,1,0,0,0,1|2,0,0]=4 1045 B11R0.111 CNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737683 [0,1,0,0,0,1|2,0,0]=4 1046 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,1,0,0,0,1|2,0,0]=4 1047 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,1,0,0,0,1|2,0,0]=4 1048 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000754576_100000731001 [0,1,0,0,0,1|2,0,0]=4 1049 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000757172_100012179268 [0,1,0,0,0,1|2,0,0]=4 1050 B11R0.111 CNC(=O)CCOCCC(=O)N 7a_100000757172_100000737683 [0,1,0,0,0,1|2,0,0]=4 1051 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,1,0,0,0,1|2,0,0]=4 1052 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,1,0,0,0,1|2,0,0]=4 1053 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000737683_100000744528 [0,1,0,0,0,1|2,0,0]=4 1054 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000744528_100000737683 [0,1,0,0,0,1|2,0,0]=4 1055 B11R0.111 CNC(=O)CNCCCC(=O)N 34a_100000739312_100000183359 [0,1,0,0,0,1|2,0,0]=4 1056 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,1,0,0,0,1|2,0,0]=4 1057 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,1,0,0,0,1|2,0,0]=4 1058 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,1,0,0,0,1|2,0,0]=4 1059 B11R0.111 CNC(=O)COCCCC(=O)N 34a_100000750040_100102525003 [0,1,0,0,0,1|2,0,0]=4 1060 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,1,0,0,0,1|2,0,0]=4 1061 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,1,0,0,0,1|2,0,0]=4 1062 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100000183359_100102525003 [0,1,0,0,0,1|2,0,0]=4 1063 B11R0.111 CNC(=O)CSCCCC(=O)N 62a_100102525003_100000183359 [0,1,0,0,0,1|2,0,0]=4 1064 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [0,1,0,0,0,1|2,0,0]=4 1065 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [0,1,0,0,0,1|2,0,0]=4 1066 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [0,1,0,0,0,1|2,0,0]=4 1067 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [0,1,0,0,0,1|2,0,0]=4 1068 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,1|1,0,0]=3 1069 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,1|1,0,0]=3 1070 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,1|1,0,0]=3 1071 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,0,0,0,1|1,0,0]=3 1072 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,1,0,0,0,1|1,0,0]=3 1073 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,0,0,0,1|0,0,0]=2 1074 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,1,0,0,0,1|1,0,1]=4 1075 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,1,0,0,0,1|1,0,1]=4 1076 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,1,0,0,0,1|1,0,0]=3 1077 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [0,1,0,0,0,1|1,0,0]=3 1078 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [0,1,0,0,0,1|1,0,0]=3 1079 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [0,1,0,0,0,1|0,0,1]=3 1080 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [0,1,0,0,0,1|0,0,1]=3 1081 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,1,0,0,0,1|1,0,1]=4 1082 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,1,0,0,0,1|1,0,1]=4 1083 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,1,0,0,0,1|1,0,1]=4 1084 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,1,0,0,0,1|1,0,1]=4 1085 B11R0.111 COC(=O)CCCSC[N+](=O)[O-] 62a_100011218270_100000761209 [0,1,0,0,0,1|1,0,1]=4 1086 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,1|1,0,1]=4 1087 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [0,1,0,0,0,1|1,0,0]=3 1088 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,1,0,0,0,1|1,0,0]=3 1089 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,1,0,0,0,1|1,0,0]=3 1090 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [0,1,0,0,0,1|1,0,0]=3 1091 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [0,1,0,0,0,1|1,0,0]=3 1092 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,1,0,0,0,1|1,0,0]=3 1093 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,1,0,0,0,1|1,0,0]=3 1094 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [0,1,0,0,0,1|1,0,0]=3 1095 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [0,1,0,0,0,1|1,0,0]=3 1096 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,1|1,0,1]=4 1097 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,1|1,0,1]=4 1098 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,1,0,0,0,1|2,0,0]=4 1099 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,1,0,0,0,1|2,0,0]=4 1100 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [0,1,0,0,0,1|1,0,0]=3 1101 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,1,0,0,0,1|2,0,0]=4 1102 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [0,1,0,0,0,1|2,0,0]=4 1103 B11R0.111 COC(=O)CNCCNC(=O)N 34a_100020590234_100000747449 [0,1,0,0,0,1|2,0,0]=4 1104 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,0,0,0,1|1,0,0]=3 1105 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,0,0,0,1|1,0,0]=3 1106 B11R0.111 COC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000747449 [0,1,0,0,0,1|1,0,1]=4 1107 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [0,1,0,0,0,1|2,0,0]=4 1108 B11R0.111 COC(=O)COCCNC(=O)N 34a_100000181757_100000747449 [0,1,0,0,0,1|2,0,0]=4 1109 B11R0.111 COC(=O)COCCOC(=O)N 7a_100000766696_100000747449 [0,1,0,0,0,1|2,0,0]=4 1110 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,0,0,0,1|1,0,0]=3 1111 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,0,0,0,1|1,0,0]=3 1112 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [0,1,0,0,0,1|1,0,0]=3 1113 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [0,1,0,0,0,1|1,0,0]=3 1114 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,1,0,0,0,1|1,0,1]=4 1115 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,1,0,0,0,1|1,0,1]=4 1116 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [0,1,0,0,0,1|2,0,0]=4 1117 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [0,1,0,0,0,1|2,0,0]=4 1118 B11R0.111 COC(=O)CSCCNC(=O)N 62a_100000747449_200000034859 [0,1,0,0,0,1|2,0,0]=4 1119 B11R0.111 COC(=O)CSCCNC(=O)N 62a_200000034859_100000747449 [0,1,0,0,0,1|2,0,0]=4 1120 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,1,0,0,0,1|2,0,0]=4 1121 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,1,0,0,0,1|2,0,0]=4 1122 B11R0.111 COC(=O)CSCCOC(=O)N 62a_100000747449_200011214921 [0,1,0,0,0,1|2,0,0]=4 1123 B11R0.111 COC(=O)CSCCOC(=O)N 62a_200011214921_100000747449 [0,1,0,0,0,1|2,0,0]=4 1124 B11R0.111 COC(=O)NCCOCC(=O)N 34a_100000757965_100000187820 [0,1,0,0,0,1|2,0,0]=4 1125 B11R0.111 COC(=O)NCCOCC(=O)[O-] 34a_100000757965_100020667443 [0,1,0,0,0,1|1,0,1]=4 1126 B11R0.111 COC(=O)OCCOCC(=O)N 34a_100010262106_100000187820 [0,1,0,0,0,1|2,0,0]=4 1127 B11R0.111 COC(=O)OCCOCC(=O)[O-] 34a_100010262106_100020667443 [0,1,0,0,0,1|1,0,1]=4 1128 B11R0.111 COC(=O)OCSCCC(=O)C 62a_100000053229_100000139417 [0,1,0,0,0,1|2,0,0]=4 1129 B11R0.111 COC(=O)OCSCCC(=O)N 62a_100000744528_100000139417 [0,1,0,0,0,1|2,0,0]=4 1130 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,0,0,0,1|1,0,0]=3 1131 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [0,1,0,0,0,1|1,0,0]=3 1132 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [0,1,0,0,0,1|1,0,0]=3 1133 B11R0.111 NC(=O)CCOCCC(=NO)N 34a_100000749954_100000731001 [0,1,0,0,0,1|2,0,0]=4 1134 B11R0.111 NNC(=O)CCCOCC(=O)N 34a_100000211488_100000187820 [0,1,0,0,0,1|2,0,0]=4 1135 B11R0.111 NNC(=O)CCCOCC(=O)[O-] 34a_100000211488_100020667443 [0,1,0,0,0,1|1,0,1]=4 1136 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,1,0,0,0,1|1,0,1]=4 1137 B11R0.111 O=C(CO)CCCCO[N+](=O)[O-] 1458a_100000210174_100015694321 [0,1,0,0,0,1|1,0,1]=4 1138 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,2,0,0,0,0|2,0,0]=4 1139 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [0,2,0,0,0,0|1,0,1]=4 1140 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [0,2,0,0,0,0|2,0,0]=4 1141 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [0,2,0,0,0,0|1,0,0]=3 1142 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,2,0,0,0,0|2,0,0]=4 1143 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [0,2,0,0,0,0|2,0,0]=4 1144 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [0,2,0,0,0,0|2,0,0]=4 1145 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [0,2,0,0,0,0|1,0,1]=4 1146 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [0,2,0,0,0,0|1,0,1]=4 1147 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [0,2,0,0,0,0|2,0,0]=4 1148 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [0,2,0,0,0,0|2,0,0]=4 1149 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [0,2,0,0,0,0|2,0,0]=4 1150 B11R0.106 C#CC(=O)CCCCC(=O)OC 1458a_100000211873_100000204269 [0,2,0,0,0,0|1,0,0]=3 1151 B11R0.106 C#CC(=O)CCOCC(=O)OC 1458a_100000211873_100000090808 [0,2,0,0,0,0|2,0,0]=4 1152 B11R0.106 C=CC(=O)CCCCC(=O)OC 1458a_100000185746_100000204269 [0,2,0,0,0,0|1,0,0]=3 1153 B11R0.106 C=CC(=O)CCOCC(=O)OC 1458a_100000185746_100000090808 [0,2,0,0,0,0|2,0,0]=4 1154 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,2,0,0,0,0|1,0,0]=3 1155 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,2,0,0,0,0|1,0,0]=3 1156 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,2,0,0,0,0|2,0,0]=4 1157 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,2,0,0,0,0|2,0,0]=4 1158 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,2,0,0,0,0|2,0,0]=4 1159 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,2,0,0,0,0|2,0,0]=4 1160 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,2,0,0,0,0|2,0,0]=4 1161 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,2,0,0,0,0|2,0,0]=4 1162 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,2,0,0,0,0|1,0,0]=3 1163 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,2,0,0,0,0|1,0,0]=3 1164 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,2,0,0,0,0|1,0,0]=3 1165 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,2,0,0,0,0|1,0,0]=3 1166 B11R0.106 CNC(=O)CCCNC(=O)CO 240690a_100000740002_100000210174 [0,2,0,0,0,0|2,0,0]=4 1167 B11R0.106 CNC(=O)CCCNC(=O)CO 527a_100000740002_100000210174 [0,2,0,0,0,0|2,0,0]=4 1168 B11R0.106 CNC(=O)CCCNC(=O)OC 11a_106832991635_100000753017 [0,2,0,0,0,0|2,0,0]=4 1169 B11R0.106 CNC(=O)CCCNC(=O)OC 1626a_100102657272_100000753017 [0,2,0,0,0,0|2,0,0]=4 1170 B11R0.106 CNC(=O)CCCNC(=O)OC 240690a_100102657272_100000753017 [0,2,0,0,0,0|2,0,0]=4 1171 B11R0.106 CNC(=O)CCCNC(=O)OC 527a_100102657272_100000753017 [0,2,0,0,0,0|2,0,0]=4 1172 B11R0.106 CNC(=O)CCNCC(=O)OC 2230a_100000738227_100000747449 [0,2,0,0,0,0|2,0,0]=4 1173 B11R0.106 CNC(=O)CCNCC(=O)OC 34a_100000738227_100000747449 [0,2,0,0,0,0|2,0,0]=4 1174 B11R0.106 CNC(=O)CCOCC(=O)OC 34a_100000754576_100000747449 [0,2,0,0,0,0|2,0,0]=4 1175 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000737683_100000747449 [0,2,0,0,0,0|2,0,0]=4 1176 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000747449_100000737683 [0,2,0,0,0,0|2,0,0]=4 1177 B11R0.106 CNC(=O)CNCCC(=O)OC 2230a_100000693194_100000204255 [0,2,0,0,0,0|2,0,0]=4 1178 B11R0.106 CNC(=O)COCCC(=O)OC 34a_100000750040_100000742370 [0,2,0,0,0,0|2,0,0]=4 1179 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000183359_100000204255 [0,2,0,0,0,0|2,0,0]=4 1180 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000204255_100000183359 [0,2,0,0,0,0|2,0,0]=4 1181 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,2,0,0,0,0|1,0,0]=3 1182 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,2,0,0,0,0|0,0,0]=2 1183 B11R0.106 COC(=O)CCCNC(=O)CO 188690a_100000184769_100000210174 [0,2,0,0,0,0|1,0,0]=3 1184 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000204255_100000747449 [0,2,0,0,0,0|1,0,0]=3 1185 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000747449_100000204255 [0,2,0,0,0,0|1,0,0]=3 1186 B11R0.106 COC(=O)COCCC(=NO)N 34a_100000749954_100000747449 [0,2,0,0,0,0|2,0,0]=4 1187 B11R0.106 COC(=O)COCCC(=O)CO 1458a_100000210174_100000090808 [0,2,0,0,0,0|1,0,0]=3 1188 B11R0.106 COC(=O)CSCOC(=O)OC 62a_100000747449_100000139417 [0,2,0,0,0,0|2,0,0]=4 1189 B11R0.106 COC(=O)NCCCC(=O)CF 1458a_100000753017_100015361967 [0,2,0,0,0,0|2,0,0]=4 1190 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [0,2,0,0,0,0|2,0,0]=4 1191 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [0,2,0,0,0,0|1,0,1]=4 1192 B11R0.107 COC(=O)CCC(=O)CC(=O)N 1458a_100000187943_100000187820 [0,2,0,0,0,0|1,0,1]=4 1193 B11R0.107 COC(=O)CCC(=O)CC(=O)[O-] 1458a_100000187943_100020667443 [0,2,0,0,0,0|0,0,2]=4 1194 B11R0.107 COC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000204255 [0,2,0,0,0,0|2,0,0]=4 1195 B11R0.107 COC(=O)CCN(C)CC(=O)N 269982a_100025711912_100000187820 [0,2,0,0,0,0|2,0,0]=4 1196 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [0,2,0,0,0,0|1,0,0]=3 1197 B11R0.107 COC(=O)CCN(C)CC(=O)[O-] 269982a_100025711912_100020667443 [0,2,0,0,0,0|1,0,1]=4 1198 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [0,2,0,0,0,0|2,0,0]=4 1199 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [0,2,0,0,0,0|2,0,0]=4 1200 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [0,2,0,0,0,0|2,0,0]=4 1201 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [0,2,0,0,0,0|2,0,0]=4 1202 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [0,2,0,0,0,0|2,0,0]=4 1203 B11R0.109 COC(=O)CCCN(C)C(=O)C 240690a_100000739225_100015343762 [0,2,0,0,0,0|2,0,0]=4 1204 B11R0.109 COC(=O)CCCN(C)C(=O)C 527a_100000739225_100103153847 [0,2,0,0,0,0|2,0,0]=4 1205 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [0,2,0,0,0,0|1,0,0]=3 1206 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000204255 [0,2,0,0,0,0|2,0,0]=4 1207 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000742370 [0,2,0,0,0,0|2,0,0]=4 1208 B11R0.109 COC(=O)CCOC(C)C(=O)C 34a_100000212229_100000742370 [0,2,0,0,0,0|2,0,0]=4 1209 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204255 [0,2,0,0,0,0|1,0,1]=4 1210 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000742370 [0,2,0,0,0,0|2,0,0]=4 1211 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000204255 [0,2,0,0,0,0|2,0,0]=4 1212 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100000204255_100009814033 [0,2,0,0,0,0|2,0,0]=4 1213 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100009814033_100000204255 [0,2,0,0,0,0|2,0,0]=4 1214 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000204255_100000702099 [0,2,0,0,0,0|2,0,0]=4 1215 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000702099_100000204255 [0,2,0,0,0,0|2,0,0]=4 1216 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100000204255_100009813875 [0,2,0,0,0,0|2,0,0]=4 1217 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100009813875_100000204255 [0,2,0,0,0,0|2,0,0]=4 1218 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100000204255_100020610796 [0,2,0,0,0,0|1,0,1]=4 1219 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000204255 [0,2,0,0,0,0|1,0,1]=4 1220 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [0,2,0,0,0,0|1,0,0]=3 1221 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [0,2,0,0,0,0|1,0,0]=3 1222 B11R0.109 COC(=O)COCC(C)C(=O)C 34a_100000032740_100000747449 [0,2,0,0,0,0|2,0,0]=4 1223 B11R0.109 COC(=O)COCC(C)C(=O)C 7a_100000032740_100000747449 [0,2,0,0,0,0|2,0,0]=4 1224 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [0,2,0,0,0,0|2,0,0]=4 1225 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [0,2,0,0,0,0|2,0,0]=4 1226 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [0,2,0,0,0,0|2,0,0]=4 1227 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [0,2,0,0,0,0|2,0,0]=4 1228 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [0,2,0,0,0,0|1,0,1]=4 1229 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [0,2,0,0,0,0|2,0,0]=4 1230 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [0,2,0,0,0,0|2,0,0]=4 1231 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [0,2,0,0,0,0|1,0,1]=4 1232 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [0,2,0,0,0,0|1,0,1]=4 1233 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [0,2,0,0,0,0|2,0,0]=4 1234 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [0,2,0,0,0,0|2,0,0]=4 1235 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [0,2,0,0,0,0|2,0,0]=4 1236 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [0,2,0,0,0,0|2,0,0]=4 1237 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [0,2,0,0,0,0|2,0,0]=4 1238 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [0,2,0,0,0,0|2,0,0]=4 1239 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [0,2,0,0,0,0|2,0,0]=4 1240 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [0,2,0,0,0,0|2,0,0]=4 1241 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [0,2,0,0,0,0|2,0,0]=4 1242 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [0,2,0,0,0,0|2,0,0]=4 1243 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [0,2,0,0,0,0|1,0,1]=4 1244 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [0,2,0,0,0,0|2,0,0]=4 1245 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [0,2,0,0,0,0|2,0,0]=4 1246 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [0,2,0,0,0,0|2,0,0]=4 1247 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [0,2,0,0,0,0|1,0,1]=4 1248 B11R0.176 C#CCC(=O)CCCCC(=O)C 1458a_100011220946_100000735457 [0,2,0,0,0,0|2,0,0]=4 1249 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [0,2,0,0,0,0|2,0,0]=4 1250 B11R0.176 C=COC(=O)CNOCC(=O)O 269956a_100000106656_100000036128 [0,2,0,0,0,0|2,0,0]=4 1251 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [0,2,0,0,0,0|2,0,0]=4 1252 B11R0.176 C=COC(=O)COCCC(=O)N 34a_100000757172_100000036128 [0,2,0,0,0,0|2,0,0]=4 1253 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [0,2,0,0,0,0|2,0,0]=4 1254 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [0,2,0,0,0,0|2,0,0]=4 1255 B11R0.176 C=COC(=O)CSCCC(=O)N 62a_100000036128_100000744528 [0,2,0,0,0,0|2,0,0]=4 1256 B11R0.176 C=COC(=O)CSCCC(=O)N 62a_100000744528_100000036128 [0,2,0,0,0,0|2,0,0]=4 1257 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,2,0,0,0,0|2,0,0]=4 1258 B11R0.176 CC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000735457 [0,2,0,0,0,0|2,0,0]=4 1259 B11R0.176 CC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000735457 [0,2,0,0,0,0|2,0,0]=4 1260 B11R0.176 CC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000735457 [0,2,0,0,0,0|2,0,0]=4 1261 B11R0.176 CC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000735457 [0,2,0,0,0,0|2,0,0]=4 1262 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|1,0,0]=3 1263 B11R0.176 CC(=O)CCOCC(=O)NCO 34a_100000759926_100000185155 [0,2,0,0,0,0|2,0,0]=4 1264 B11R0.176 CC(=O)CCOCC(=O)NCO 7a_100000759926_100000185155 [0,2,0,0,0,0|2,0,0]=4 1265 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000053229_100000185155 [0,2,0,0,0,0|2,0,0]=4 1266 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000185155_100000053229 [0,2,0,0,0,0|2,0,0]=4 1267 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,2,0,0,0,0|2,0,0]=4 1268 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,2,0,0,0,0|2,0,0]=4 1269 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,2,0,0,0,0|2,0,0]=4 1270 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|2,0,0]=4 1271 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|2,0,0]=4 1272 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,2,0,0,0,0|2,0,0]=4 1273 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|1,0,0]=3 1274 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|1,0,0]=3 1275 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|1,0,0]=3 1276 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|2,0,0]=4 1277 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,2,0,0,0,0|2,0,0]=4 1278 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,2,0,0,0,0|1,0,0]=3 1279 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|2,0,0]=4 1280 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,2,0,0,0,0|2,0,0]=4 1281 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,2,0,0,0,0|2,0,0]=4 1282 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,2,0,0,0,0|1,0,1]=4 1283 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,2,0,0,0,0|1,0,1]=4 1284 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,2,0,0,0,0|2,0,0]=4 1285 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|2,0,0]=4 1286 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|2,0,0]=4 1287 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|2,0,0]=4 1288 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,2,0,0,0,0|2,0,0]=4 1289 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,2,0,0,0,0|2,0,0]=4 1290 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|2,0,0]=4 1291 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|2,0,0]=4 1292 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,2,0,0,0,0|2,0,0]=4 1293 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,2,0,0,0,0|2,0,0]=4 1294 B11R0.176 COCC(=O)CCCCB(O)O 1458a_100000210968_200009817182 [0,2,0,0,0,0|1,0,1]=4 1295 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|1,0,0]=3 1296 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,2,0,0,0,0|2,0,0]=4 1297 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,2,0,0,0,0|2,0,0]=4 1298 B11R0.176 COCC(=O)CCOCC(=O)N 1458a_100000210968_100000076697 [0,2,0,0,0,0|2,0,0]=4 1299 B11R0.176 COCC(=O)NCCCC(=O)N 240690a_100000739312_100000210968 [0,2,0,0,0,0|2,0,0]=4 1300 B11R0.176 COCC(=O)NCCCC(=O)N 527a_100000739312_100000210968 [0,2,0,0,0,0|2,0,0]=4 1301 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|1,1,0]=4 1302 B11R0.176 NC(=O)CCCNC(=O)CCO 240690a_100000739312_100011216618 [0,2,0,0,0,0|2,0,0]=4 1303 B11R0.176 NC(=O)CCOCC(=O)NCO 34a_100000757172_100000185155 [0,2,0,0,0,0|2,0,0]=4 1304 B11R0.176 NC(=O)CCOCC(=O)NCO 7a_100000757172_100000185155 [0,2,0,0,0,0|2,0,0]=4 1305 B11R0.176 NC(=O)CCSCC(=O)NCO 62a_100000185155_100000744528 [0,2,0,0,0,0|2,0,0]=4 1306 B11R0.176 NC(=O)CCSCC(=O)NCO 62a_100000744528_100000185155 [0,2,0,0,0,0|2,0,0]=4 1307 B11R0.176 NC(=O)COCCC(=O)CCO 1458a_100011216618_100000076697 [0,2,0,0,0,0|2,0,0]=4 1308 B11R0.176 NC(=O)CSCCC(=O)CCO 1458a_100000148550_100000211926 [0,2,0,0,0,0|2,0,0]=4 1309 B11R0.176 O=C(CCO)CCCCB(O)O 1458a_100011216618_200009817182 [0,2,0,0,0,0|1,0,1]=4 1310 B11R0.176 O=C(O)CONCC(=O)NCO 269956a_100000106656_100000185155 [0,2,0,0,0,0|2,0,0]=4 1311 B11R0.143 CCN(CCC(=O)C)CC(=O)O 269956a_100000746405_100000053229 [0,2,0,0,0,0|2,0,0]=4 1312 B11R0.143 CCN(CCC(=O)N)CC(=O)O 269956a_100000746405_100000744528 [0,2,0,0,0,0|2,0,0]=4 1313 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,2,0,0,0,0|2,0,0]=4 1314 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,2,0,0,0,0|1,0,1]=4 1315 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,2,0,0,0,0|2,0,0]=4 1316 B11R0.143 O=C([O-])CN[C@H](CO)CC(=O)O 269956a_100009816507_100020667443 [0,2,0,0,0,0|1,0,1]=4 1317 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,2,0,0,0,0|2,0,0]=4 1318 B11R0.173 CC(C(=O)O)N(C)CCC(=O)N 269956a_100000749554_100000744528 [0,2,0,0,0,0|2,0,0]=4 1319 B11R0.232 CC(C)(CC(=O)O)NCC(=O)N 269956a_100000755897_100000187820 [0,2,0,0,0,0|2,0,0]=4 1320 B11R0.232 CC(C)(CC(=O)O)NCC(=O)[O-] 269956a_100000755897_100020667443 [0,2,0,0,0,0|1,0,1]=4 1321 B11R0.150 CC(=O)C(C)NCC(C)C(=O)O 269956a_100000749485_100009814033 [0,2,0,0,0,0|2,0,0]=4 1322 B11R0.150 CC(=O)C(C)NCC(F)C(=O)O 269956a_100000084737_100009814033 [0,2,0,0,0,0|2,0,0]=4 1323 B11R0.202 CC(C)(CNCC(=O)N)C(=O)O 269956a_100000693527_100000187820 [0,2,0,0,0,0|2,0,0]=4 1324 B11R0.202 CC(C)(CNCC(=O)[O-])C(=O)O 269956a_100000693527_100020667443 [0,2,0,0,0,0|1,0,1]=4 1325 B11R0.202 NC(=O)CNCC(F)(F)C(=O)O 269956a_100000734215_100000187820 [0,2,0,0,0,0|2,0,0]=4 1326 B11R0.202 O=C([O-])CNCC(F)(F)C(=O)O 269956a_100000734215_100020667443 [0,2,0,0,0,0|1,0,1]=4 1327 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,2,0,0,0,0|2,0,0]=4 1328 B11R0.273 C=C[C@H](NCCC(=O)N)C(=O)O 269956a_100016992060_100000744528 [0,2,0,0,0,0|2,0,0]=4 1329 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,2,0,0,0,0|2,0,0]=4 1330 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,2,0,0,0,0|2,0,0]=4 1331 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,2,0,0,0,0|2,0,0]=4 1332 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,2,0,0,0,0|2,0,0]=4 1333 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|2,0,0]=4 1334 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|1,0,1]=4 1335 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|1,0,1]=4 1336 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [1,0,0,1,0,0|2,0,0]=4 1337 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|2,0,0]=4 1338 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,1]=4 1339 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|2,0,0]=4 1340 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|1,0,0]=3 1341 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [1,0,0,1,0,0|2,0,0]=4 1342 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|2,0,0]=4 1343 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|2,0,0]=4 1344 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|1,0,1]=4 1345 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [1,0,0,1,0,0|1,0,1]=4 1346 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [1,0,0,1,0,0|1,0,1]=4 1347 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,1,0|2,0,0]=4 1348 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,1,0|1,0,0]=3 1349 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,1,0|2,0,0]=4 1350 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,1,0|1,0,0]=3 1351 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,1,1,0|2,0,0]=4 1352 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [0,0,0,1,0,1|2,0,0]=4 1353 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [0,0,0,1,0,1|2,0,0]=4 1354 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,0,0,1,0,1|2,0,0]=4 1355 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,0,0,1,0,1|2,0,0]=4 1356 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,0,0,1,0,1|2,0,0]=4 1357 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,0,0,1,0,1|2,0,0]=4 1358 B11R1.75 NC(=O)COC1CCC(=O)C1 34a_100012614533_100000187820 [0,0,0,1,0,1|2,0,0]=4 1359 B11R1.75 NC(=O)CSC1COC(=O)O1 62a_100000747473_100000032252 [0,0,0,1,0,1|2,0,0]=4 1360 B11R1.75 O=C([O-])COC1CCC(=O)C1 34a_100012614533_100020667443 [0,0,0,1,0,1|1,0,1]=4 1361 B11R1.75 O=C([O-])CSC1COC(=O)O1 62a_100020667443_100000032252 [0,0,0,1,0,1|1,0,1]=4 1362 B11R1.154 CC(=O)CCSC1CC(=O)C1 62a_100009894365_100000053229 [0,0,0,1,0,1|2,0,0]=4 1363 B11R1.154 NC(=O)CCSC1CC(=O)C1 62a_100009894365_100000744528 [0,0,0,1,0,1|2,0,0]=4 1364 B11R1.154 NC(=O)CNCC1CC(=O)C1 2230a_100000711301_100009874392 [0,0,0,1,0,1|2,0,0]=4 1365 B11R1.154 NC(=O)COCC1CC(=O)C1 34a_100000101936_100000187820 [0,0,0,1,0,1|2,0,0]=4 1366 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100000747473_100009874392 [0,0,0,1,0,1|2,0,0]=4 1367 B11R1.154 NC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747473 [0,0,0,1,0,1|2,0,0]=4 1368 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,0,0,1,0,1|1,0,0]=3 1369 B11R1.154 O=C(O)CONC1CC(=O)C1 269956a_100000106656_100009894365 [0,0,0,1,0,1|2,0,0]=4 1370 B11R1.154 O=C([O-])COCC1CC(=O)C1 34a_100000101936_100020667443 [0,0,0,1,0,1|1,0,1]=4 1371 B11R1.154 O=C([O-])CSCC1CC(=O)C1 62a_100009874392_100020667443 [0,0,0,1,0,1|1,0,1]=4 1372 B11R1.154 O=C([O-])CSCC1CC(=O)C1 62a_100020667443_100009874392 [0,0,0,1,0,1|1,0,1]=4 1373 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,0,0,1,0,1|1,0,1]=4 1374 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [0,0,0,1,0,1|2,0,0]=4 1375 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [0,0,0,1,0,1|2,0,0]=4 1376 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [0,0,0,1,0,1|2,0,0]=4 1377 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [0,0,0,1,0,1|2,0,0]=4 1378 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [0,0,0,1,0,1|2,0,0]=4 1379 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [0,0,0,1,0,1|2,0,0]=4 1380 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [0,0,0,1,0,1|2,0,0]=4 1381 B11R1.708 C=C(C)CN1CCC1C(=O)O 269956a_100000021838_100000748629 [0,0,0,1,0,1|2,0,0]=4 1382 B11R1.708 C=C(F)CN1CCC1C(=O)O 269956a_100000021838_100000042424 [0,0,0,1,0,1|2,0,0]=4 1383 B11R1.708 CC(O)CN1CCC1C(=O)O 269956a_100000021838_100011218427 [0,0,0,1,0,1|1,0,1]=4 1384 B11R1.708 C[C@@H](O)CN1CCC1C(=O)O 269956a_100000021838_100009817552 [0,0,0,1,0,1|1,0,1]=4 1385 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,0,0,1,0,1|1,0,0]=3 1386 B11R1.708 O=C(O)C1CCN1C[N+](=O)[O-] 269956a_100000021838_100000761209 [0,0,0,1,0,1|1,0,1]=4 1387 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [0,0,0,1,0,1|0,0,1]=3 1388 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,1,0,0|2,0,0]=4 1389 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,1,0,1,0,0|2,0,0]=4 1390 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,1,0,1,0,0|2,0,0]=4 1391 B11R1.23 O=C1CCC[C@@H](N1)C(=O)CF 1458a_100000705292_100015361967 [0,1,0,1,0,0|2,0,0]=4 1392 B11R1.39 C#CC(=O)CC1CNC(=O)O1 1458a_100000211873_100000181169 [0,1,0,1,0,0|2,0,0]=4 1393 B11R1.39 C#CC(=O)CC1COC(=O)O1 1458a_100000211873_100000073702 [0,1,0,1,0,0|2,0,0]=4 1394 B11R1.39 C#CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211873_100015189358 [0,1,0,1,0,0|2,0,0]=4 1395 B11R1.39 C=CC(=O)CC1CNC(=O)O1 1458a_100000185746_100000181169 [0,1,0,1,0,0|2,0,0]=4 1396 B11R1.39 C=CC(=O)CC1COC(=O)O1 1458a_100000185746_100000073702 [0,1,0,1,0,0|2,0,0]=4 1397 B11R1.39 C=CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000185746_100015189358 [0,1,0,1,0,0|2,0,0]=4 1398 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,1,0,0|2,0,0]=4 1399 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [0,1,0,1,0,0|2,0,0]=4 1400 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [0,1,0,1,0,0|2,0,0]=4 1401 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,1,0,0|2,0,0]=4 1402 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [0,1,0,1,0,0|2,0,0]=4 1403 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [0,1,0,1,0,0|2,0,0]=4 1404 B11R1.39 O=C(CF)CC1CCC(=O)N1 1458a_100000026770_100015361967 [0,1,0,1,0,0|2,0,0]=4 1405 B11R1.39 O=C(CO)CC1CNC(=O)O1 1458a_100000210174_100000181169 [0,1,0,1,0,0|1,0,0]=3 1406 B11R1.39 O=C(CO)CC1COC(=O)O1 1458a_100000210174_100000073702 [0,1,0,1,0,0|1,0,0]=3 1407 B11R1.39 O=C(CO)C[C@@H]1CCC(=O)N1 1458a_100000210174_100015189358 [0,1,0,1,0,0|1,0,0]=3 1408 B11R1.39 O=C(CO)C[C@H]1COC(=O)N1 1458a_100000210174_100015307671 [0,1,0,1,0,0|2,0,0]=4 1409 B11R1.224 COC(=O)CSC1CC(=O)C1 62a_100009894365_100000747449 [0,1,0,1,0,0|2,0,0]=4 1410 B11R1.849 COC(=O)C1CN1CC(=O)N 2230a_200009830135_100000747473 [0,1,0,1,0,0|2,0,0]=4 1411 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 11a_102516456887_100015343762 [0,1,0,1,0,0|2,0,0]=4 1412 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 1626a_102516456887_100015343762 [0,1,0,1,0,0|2,0,0]=4 1413 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 240690a_102516456887_100015343762 [0,1,0,1,0,0|2,0,0]=4 1414 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 527a_102516456887_100103153847 [0,1,0,1,0,0|2,0,0]=4 1415 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [0,1,0,1,0,0|1,0,0]=3 1416 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [0,1,0,1,0,0|1,0,0]=3 1417 B11R1.152 CN(CC(=O)O)C1CC(=O)C1 269956a_100000746989_100009894365 [0,1,0,1,0,0|2,0,0]=4 1418 B11R1.153 C[C@H](NC1CC(=O)C1)C(=O)O 269956a_100000743915_100009894365 [0,1,0,1,0,0|2,0,0]=4 1419 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,2,0|2,0,0]=4 1420 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,2,0|2,0,0]=4 1421 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [0,0,0,0,0,2|2,0,0]=4 1422 B11R0.30 C=C(F)CNCCOCC(=O)O 269956a_100000700818_100000042424 [0,0,0,0,0,2|2,0,0]=4 1423 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,0,0,0,0,2|2,0,0]=4 1424 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,0,0,0,0,2|2,0,0]=4 1425 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,0,2|1,0,0]=3 1426 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,0,0,0,0,2|2,0,0]=4 1427 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,0,0,0,2|2,0,0]=4 1428 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,0,0,0,2|2,0,0]=4 1429 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,0,0,0,0,2|1,0,1]=4 1430 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,0,0,0,0,2|1,0,1]=4 1431 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,0,0,0,2|1,0,0]=3 1432 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,0,0,0,0,2|2,0,0]=4 1433 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,0,0,0,0,2|2,0,0]=4 1434 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,0,0,0,0,2|2,0,0]=4 1435 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,0,0,0,0,2|2,0,0]=4 1436 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,0,0,0,0,2|2,0,0]=4 1437 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,0,0,0,0,2|2,0,0]=4 1438 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,0,0,0,0,2|2,0,0]=4 1439 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [0,0,0,0,0,2|2,0,0]=4 1440 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,0,0,0,0,2|2,0,0]=4 1441 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,0,0,0,0,2|2,0,0]=4 1442 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,0,0,0,0,2|2,0,0]=4 1443 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,0,0,0,0,2|2,0,0]=4 1444 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,0,0,0,0,2|2,0,0]=4 1445 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,0,0,0,0,2|2,0,0]=4 1446 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,0,0,0,0,2|2,0,0]=4 1447 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,0,0,0,0,2|2,0,0]=4 1448 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,0,0,0,0,2|2,0,0]=4 1449 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [0,0,0,0,0,2|2,0,0]=4 1450 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,0,0,0,0,2|2,0,0]=4 1451 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,0,0,0,0,2|2,0,0]=4 1452 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,0,0,0,0,2|2,0,0]=4 1453 B11R0.30 CC(=O)CCOCCOC(=O)N 34a_100000759926_200011214921 [0,0,0,0,0,2|2,0,0]=4 1454 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000759926_200011214921 [0,0,0,0,0,2|2,0,0]=4 1455 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000766696_100000053229 [0,0,0,0,0,2|2,0,0]=4 1456 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,0,0,0,0,2|2,0,0]=4 1457 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,0,0,0,0,2|2,0,0]=4 1458 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,0,0,0,0,2|2,0,0]=4 1459 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,0,0,0,0,2|2,0,0]=4 1460 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [0,0,0,0,0,2|2,0,0]=4 1461 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [0,0,0,0,0,2|2,0,0]=4 1462 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,0,0,0,0,2|2,0,0]=4 1463 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,0,0,0,0,2|2,0,0]=4 1464 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_100000053229_200011214921 [0,0,0,0,0,2|2,0,0]=4 1465 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_200011214921_100000053229 [0,0,0,0,0,2|2,0,0]=4 1466 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [0,0,0,0,0,2|2,0,0]=4 1467 B11R0.30 CC(=O)COCCCSC(=O)C 34a_100000211253_100000038929 [0,0,0,0,0,2|2,0,0]=4 1468 B11R0.30 CC(=O)COCCOCC(=O)N 34a_100000211253_100000076697 [0,0,0,0,0,2|2,0,0]=4 1469 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,0,0,0,0,2|2,0,0]=4 1470 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [0,0,0,0,0,2|2,0,0]=4 1471 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [0,0,0,0,0,2|2,0,0]=4 1472 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [0,0,0,0,0,2|2,0,0]=4 1473 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [0,0,0,0,0,2|2,0,0]=4 1474 B11R0.30 CC(=O)NCCCNCC(=O)N 34a_100000736810_100000187820 [0,0,0,0,0,2|2,0,0]=4 1475 B11R0.30 CC(=O)NCCCNCC(=O)[O-] 34a_100000736810_100020667443 [0,0,0,0,0,2|1,0,1]=4 1476 B11R0.30 CC(=O)NCCCOCC(=O)N 34a_100000752032_100000187820 [0,0,0,0,0,2|2,0,0]=4 1477 B11R0.30 CC(=O)NCCCOCC(=O)[O-] 34a_100000752032_100020667443 [0,0,0,0,0,2|1,0,1]=4 1478 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [0,0,0,0,0,2|2,0,0]=4 1479 B11R0.30 CC(=O)NCCNOCC(=O)O 269956a_100000106656_100000189650 [0,0,0,0,0,2|2,0,0]=4 1480 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [0,0,0,0,0,2|2,0,0]=4 1481 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [0,0,0,0,0,2|2,0,0]=4 1482 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [0,0,0,0,0,2|2,0,0]=4 1483 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [0,0,0,0,0,2|2,0,0]=4 1484 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,0,0,0,0,2|1,0,0]=3 1485 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000042594_100000747473 [0,0,0,0,0,2|2,0,0]=4 1486 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000747473_100000042594 [0,0,0,0,0,2|2,0,0]=4 1487 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100000042594_100020667443 [0,0,0,0,0,2|1,0,1]=4 1488 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100020667443_100000042594 [0,0,0,0,0,2|1,0,1]=4 1489 B11R0.30 CC(=O)OCCNOCC(=O)O 269956a_100000106656_100009814007 [0,0,0,0,0,2|2,0,0]=4 1490 B11R0.30 CC(=O)OCCOCCC(=O)N 34a_100000757172_100009814007 [0,0,0,0,0,2|2,0,0]=4 1491 B11R0.30 CC(=O)OCCOCCC(=O)N 7a_100000757172_100009814007 [0,0,0,0,0,2|2,0,0]=4 1492 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100000744528_100009814007 [0,0,0,0,0,2|2,0,0]=4 1493 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100009814007_100000744528 [0,0,0,0,0,2|2,0,0]=4 1494 B11R0.30 CC(=O)OCNCCCC(=O)N 34a_100000739312_100009813279 [0,0,0,0,0,2|2,0,0]=4 1495 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100000076356_100102525003 [0,0,0,0,0,2|2,0,0]=4 1496 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100102525003_100000076356 [0,0,0,0,0,2|2,0,0]=4 1497 B11R0.30 CC(=O)SCCCNCC(=O)N 2230a_100000711301_100000038929 [0,0,0,0,0,2|2,0,0]=4 1498 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,0,0,0,0,2|1,0,0]=3 1499 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000038929_100000747473 [0,0,0,0,0,2|2,0,0]=4 1500 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000747473_100000038929 [0,0,0,0,0,2|2,0,0]=4 1501 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100000038929_100020667443 [0,0,0,0,0,2|1,0,1]=4 1502 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100020667443_100000038929 [0,0,0,0,0,2|1,0,1]=4 1503 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [0,0,0,0,0,2|1,1,0]=4 1504 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,0,0,0,0,2|1,0,1]=4 1505 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,0,0,0,0,2|1,0,1]=4 1506 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,0,0,0,0,2|1,0,1]=4 1507 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,0,0,0,0,2|2,0,0]=4 1508 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,0,0,0,0,2|1,0,1]=4 1509 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [0,0,0,0,0,2|2,0,0]=4 1510 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [0,0,0,0,0,2|2,0,0]=4 1511 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [0,0,0,0,0,2|1,0,1]=4 1512 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [0,0,0,0,0,2|2,0,0]=4 1513 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [0,0,0,0,0,2|1,0,0]=3 1514 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [0,0,0,0,0,2|2,0,0]=4 1515 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [0,0,0,0,0,2|2,0,0]=4 1516 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [0,0,0,0,0,2|2,0,0]=4 1517 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [0,0,0,0,0,2|2,0,0]=4 1518 B11R0.30 NC(=O)CCNCCNC(=O)N 34a_100020590234_100000731001 [0,0,0,0,0,2|2,0,0]=4 1519 B11R0.30 NC(=O)CCOCCNC(=O)N 34a_100000181757_100000731001 [0,0,0,0,0,2|2,0,0]=4 1520 B11R0.30 NC(=O)CCOCCNC(=O)N 7a_100000757172_200000034859 [0,0,0,0,0,2|2,0,0]=4 1521 B11R0.30 NC(=O)CCOCCOC(=O)N 34a_100000757172_200011214921 [0,0,0,0,0,2|2,0,0]=4 1522 B11R0.30 NC(=O)CCOCCOC(=O)N 7a_100000757172_200011214921 [0,0,0,0,0,2|2,0,0]=4 1523 B11R0.30 NC(=O)CCOCCOC(=O)N 7a_100000766696_100000744528 [0,0,0,0,0,2|2,0,0]=4 1524 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_100000744528_200000034859 [0,0,0,0,0,2|2,0,0]=4 1525 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_200000034859_100000744528 [0,0,0,0,0,2|2,0,0]=4 1526 B11R0.30 NC(=O)CCSCCOC(=O)N 62a_100000744528_200011214921 [0,0,0,0,0,2|2,0,0]=4 1527 B11R0.30 NC(=O)CCSCCOC(=O)N 62a_200011214921_100000744528 [0,0,0,0,0,2|2,0,0]=4 1528 B11R0.30 NC(=O)CNCCOCC(=O)N 2230a_100000711301_100000076697 [0,0,0,0,0,2|2,0,0]=4 1529 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [0,0,0,0,0,2|1,0,0]=3 1530 B11R0.30 NC(=O)COCCNCC(=O)O 269956a_100016091260_100000076697 [0,0,0,0,0,2|1,0,0]=3 1531 B11R0.30 NC(=O)COCCSCC(=O)N 62a_100000076697_100000747473 [0,0,0,0,0,2|2,0,0]=4 1532 B11R0.30 NC(=O)COCCSCC(=O)N 62a_100000747473_100000076697 [0,0,0,0,0,2|2,0,0]=4 1533 B11R0.30 NC(=O)COCCSCC(=O)[O-] 62a_100000076697_100020667443 [0,0,0,0,0,2|1,0,1]=4 1534 B11R0.30 NC(=O)COCCSCC(=O)[O-] 62a_100020667443_100000076697 [0,0,0,0,0,2|1,0,1]=4 1535 B11R0.30 NC(=O)NCCNOCC(=O)O 269956a_100000106656_200000034859 [0,0,0,0,0,2|2,0,0]=4 1536 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,0,0,0,0,2|1,0,1]=4 1537 B11R0.30 O=C(O)COCCNC[N+](=O)[O-] 269956a_100000700818_100000761209 [0,0,0,0,0,2|1,0,1]=4 1538 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [0,0,0,0,0,2|0,0,1]=3