0 B16R0.302 C#CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100153394163 [0,0,0,0,0,0|1,0,2]=3 1 B16R0.302 C=CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100009814027 [0,0,0,0,0,0|2,0,2]=4 2 B16R0.302 C=CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012355270 [0,0,0,0,0,0|1,0,2]=3 3 B16R0.302 CCCCC#CCCCNCC(O)CC(=O)O 269956a_100011218706_200000047210 [0,0,0,0,0,0|1,0,2]=3 4 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,0,0,0,0,0|1,0,2]=3 5 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,0,0,0,0,0|1,0,2]=3 6 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,0,0,0,0,0|0,0,3]=3 7 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,0,0,0,0,0|1,0,3]=4 8 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,0,0,0,0,0|1,0,3]=4 9 B16R0.302 CCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210736_100000761209 [0,0,0,0,0,0|1,0,3]=4 10 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [0,0,0,0,0,0|3,0,0]=3 11 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,0,0,0,0,0|2,0,0]=2 12 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215454 [0,0,0,0,0,0|3,0,1]=4 13 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011215454 [0,0,0,0,0,0|3,0,1]=4 14 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 240690a_100000684558_100134613110 [0,0,0,0,0,0|2,0,2]=4 15 B16R0.302 CCCCCCCCCCNC(=O)CC(=O)N 527a_100000684558_100134613110 [0,0,0,0,0,0|2,0,2]=4 16 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C 1458a_100000070787_100000210668 [0,0,0,0,0,0|2,0,2]=4 17 B16R0.302 CCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210320 [0,0,0,0,0,0|4,0,0]=4 18 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,0,0,0,0,0|1,0,0]=1 19 B16R0.302 CN(CCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813290 [0,0,0,0,0,0|4,0,0]=4 20 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,0,0,0,0,0|3,0,0]=3 21 B16R0.302 NC(=O)CC(=O)CCCCCCCCCCO 1458a_100134613110_100009813290 [0,0,0,0,0,0|2,0,2]=4 22 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,0,0,0,0,0|2,0,0]=2 23 B16R0.302 O=C(O)CC(O)CNCCOCCOCCO 269956a_100011218706_100000032323 [0,0,0,0,0,0|4,0,0]=4 24 B15R0.69 C#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012276617 [1,0,0,0,0,0|1,0,2]=4 25 B15R0.69 C=CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215473 [1,0,0,0,0,0|1,0,2]=4 26 B15R0.69 CCCCCC#CCNCC(O)CC(=O)O 269956a_100011218706_100009816472 [1,0,0,0,0,0|1,0,2]=4 27 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [1,0,0,0,0,0|1,0,2]=4 28 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [1,0,0,0,0,0|1,0,2]=4 29 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [1,0,0,0,0,0|0,0,3]=4 30 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [1,0,0,0,0,0|3,0,0]=4 31 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [1,0,0,0,0,0|3,0,0]=4 32 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [1,0,0,0,0,0|3,0,0]=4 33 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [1,0,0,0,0,0|2,0,0]=3 34 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [1,0,0,0,0,0|2,0,1]=4 35 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [1,0,0,0,0,0|1,0,0]=2 36 B15R0.69 CCOCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011211534 [1,0,0,0,0,0|3,0,0]=4 37 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [1,0,0,0,0,0|3,0,0]=4 38 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [1,0,0,0,0,0|2,0,0]=3 39 B15R0.69 COCCOCCCNCC(O)CC(=O)O 269956a_100011218706_100011216529 [1,0,0,0,0,0|3,0,0]=4 40 B15R0.69 N#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813337 [1,0,0,0,0,0|2,0,1]=4 41 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [1,0,0,0,0,0|2,0,0]=3 42 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [1,0,0,0,0,0|3,0,0]=4 43 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [1,0,0,0,0,0|3,0,0]=4 44 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [1,0,0,0,0,0|3,0,0]=4 45 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [1,0,0,0,0,0|3,0,0]=4 46 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [1,0,0,0,0,0|3,0,0]=4 47 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [1,0,0,0,0,0|3,0,0]=4 48 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [1,0,0,0,0,0|1,0,2]=4 49 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [1,0,0,0,0,0|2,0,0]=3 50 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [1,0,0,0,0,0|3,0,0]=4 51 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [1,0,0,0,0,0|3,0,0]=4 52 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [1,0,0,0,0,0|3,0,0]=4 53 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [1,0,0,0,0,0|3,0,0]=4 54 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [1,0,0,0,0,0|3,0,0]=4 55 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [1,0,0,0,0,0|3,0,0]=4 56 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [1,0,0,0,0,0|3,0,0]=4 57 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [1,0,0,0,0,0|3,0,0]=4 58 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [1,0,0,0,0,0|3,0,0]=4 59 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [1,0,0,0,0,0|3,0,0]=4 60 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [1,0,0,0,0,0|3,0,0]=4 61 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [1,0,0,0,0,0|3,0,0]=4 62 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [1,0,0,0,0,0|3,0,0]=4 63 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [1,0,0,0,0,0|3,0,0]=4 64 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [1,0,0,0,0,0|3,0,0]=4 65 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [1,0,0,0,0,0|3,0,0]=4 66 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [1,0,0,0,0,0|3,0,0]=4 67 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [1,0,0,0,0,0|3,0,0]=4 68 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [1,0,0,0,0,0|3,0,0]=4 69 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [1,0,0,0,0,0|3,0,0]=4 70 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [1,0,0,0,0,0|3,0,0]=4 71 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [1,0,0,0,0,0|3,0,0]=4 72 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [1,0,0,0,0,0|3,0,0]=4 73 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [1,0,0,0,0,0|3,0,0]=4 74 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [1,0,0,0,0,0|3,0,0]=4 75 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [1,0,0,0,0,0|3,0,0]=4 76 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [1,0,0,0,0,0|3,0,0]=4 77 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 78 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 79 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 80 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [1,0,0,0,0,0|2,0,0]=3 81 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [1,0,0,0,0,0|2,0,0]=3 82 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [1,0,0,0,0,0|2,0,0]=3 83 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [1,0,0,0,0,0|2,0,0]=3 84 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [1,0,0,0,0,0|1,0,0]=2 85 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [1,0,0,0,0,0|1,0,1]=3 86 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [1,0,0,0,0,0|2,0,1]=4 87 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [1,0,0,0,0,0|2,0,1]=4 88 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [1,0,0,0,0,0|2,0,1]=4 89 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [1,0,0,0,0,0|2,0,1]=4 90 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [1,0,0,0,0,0|2,0,1]=4 91 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [1,0,0,0,0,0|2,0,1]=4 92 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [1,0,0,0,0,0|2,0,1]=4 93 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [1,0,0,0,0,0|2,0,0]=3 94 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [1,0,0,0,0,0|2,0,0]=3 95 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [1,0,0,0,0,0|2,0,0]=3 96 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [1,0,0,0,0,0|1,0,1]=3 97 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [1,0,0,0,0,0|2,0,1]=4 98 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [1,0,0,0,0,0|2,0,1]=4 99 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [1,0,0,0,0,0|2,0,1]=4 100 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [1,0,0,0,0,0|2,0,1]=4 101 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [1,0,0,0,0,0|2,0,1]=4 102 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [1,0,0,0,0,0|2,0,0]=3 103 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [1,0,0,0,0,0|1,0,1]=3 104 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [1,0,0,0,0,0|2,0,1]=4 105 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [1,0,0,0,0,0|2,0,1]=4 106 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [1,0,0,0,0,0|2,0,0]=3 107 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [1,0,0,0,0,0|2,0,0]=3 108 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [1,0,0,0,0,0|2,0,1]=4 109 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [1,0,0,0,0,0|2,0,1]=4 110 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [1,0,0,0,0,0|2,0,1]=4 111 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [1,0,0,0,0,0|3,0,0]=4 112 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [1,0,0,0,0,0|2,0,0]=3 113 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [1,0,0,0,0,0|2,0,0]=3 114 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [1,0,0,0,0,0|2,0,0]=3 115 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [1,0,0,0,0,0|2,0,0]=3 116 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [1,0,0,0,0,0|2,0,0]=3 117 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [1,0,0,0,0,0|2,0,0]=3 118 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [1,0,0,0,0,0|2,0,0]=3 119 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [1,0,0,0,0,0|2,0,0]=3 120 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [1,0,0,0,0,0|2,0,1]=4 121 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [1,0,0,0,0,0|2,0,1]=4 122 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [1,0,0,0,0,0|3,0,0]=4 123 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [1,0,0,0,0,0|2,0,0]=3 124 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [1,0,0,0,0,0|2,0,0]=3 125 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [1,0,0,0,0,0|2,0,1]=4 126 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [1,0,0,0,0,0|3,0,0]=4 127 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [1,0,0,0,0,0|2,0,0]=3 128 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [1,0,0,0,0,0|2,0,0]=3 129 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [1,0,0,0,0,0|2,0,0]=3 130 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [1,0,0,0,0,0|2,0,1]=4 131 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [1,0,0,0,0,0|2,0,1]=4 132 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [1,0,0,0,0,0|3,0,0]=4 133 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [1,0,0,0,0,0|3,0,0]=4 134 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [1,0,0,0,0,0|3,0,0]=4 135 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [1,0,0,0,0,0|3,0,0]=4 136 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [1,0,0,0,0,0|3,0,0]=4 137 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [1,0,0,0,0,0|3,0,0]=4 138 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [1,0,0,0,0,0|3,0,0]=4 139 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [1,0,0,0,0,0|2,0,0]=3 140 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [1,0,0,0,0,0|2,0,0]=3 141 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [1,0,0,0,0,0|2,0,0]=3 142 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [1,0,0,0,0,0|2,0,0]=3 143 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [1,0,0,0,0,0|2,0,0]=3 144 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [1,0,0,0,0,0|2,0,0]=3 145 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [1,0,0,0,0,0|2,0,1]=4 146 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [1,0,0,0,0,0|2,0,1]=4 147 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [1,0,0,0,0,0|2,0,1]=4 148 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [1,0,0,0,0,0|3,0,0]=4 149 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [1,0,0,0,0,0|3,0,0]=4 150 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [1,0,0,0,0,0|3,0,0]=4 151 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [1,0,0,0,0,0|3,0,0]=4 152 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [1,0,0,0,0,0|3,0,0]=4 153 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [1,0,0,0,0,0|3,0,0]=4 154 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [1,0,0,0,0,0|3,0,0]=4 155 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [1,0,0,0,0,0|3,0,0]=4 156 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [1,0,0,0,0,0|3,0,0]=4 157 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [1,0,0,0,0,0|2,0,0]=3 158 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [1,0,0,0,0,0|2,0,0]=3 159 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [1,0,0,0,0,0|2,0,1]=4 160 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [1,0,0,0,0,0|3,0,0]=4 161 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [1,0,0,0,0,0|3,0,0]=4 162 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [1,0,0,0,0,0|3,0,0]=4 163 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [1,0,0,0,0,0|3,0,0]=4 164 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [1,0,0,0,0,0|2,0,1]=4 165 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [1,0,0,0,0,0|2,0,1]=4 166 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [1,0,0,0,0,0|2,0,0]=3 167 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [1,0,0,0,0,0|2,0,0]=3 168 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [1,0,0,0,0,0|3,0,0]=4 169 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [1,0,0,0,0,0|3,0,0]=4 170 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [1,0,0,0,0,0|3,0,0]=4 171 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [1,0,0,0,0,0|3,0,0]=4 172 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [1,0,0,0,0,0|3,0,0]=4 173 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [1,0,0,0,0,0|3,0,0]=4 174 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [1,0,0,0,0,0|2,0,0]=3 175 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [1,0,0,0,0,0|2,0,1]=4 176 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [1,0,0,0,0,0|2,0,1]=4 177 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [1,0,0,0,0,0|2,0,0]=3 178 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [1,0,0,0,0,0|2,0,0]=3 179 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [1,0,0,0,0,0|2,0,0]=3 180 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [1,0,0,0,0,0|2,0,0]=3 181 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [1,0,0,0,0,0|2,0,1]=4 182 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [1,0,0,0,0,0|2,0,1]=4 183 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [1,0,0,0,0,0|3,0,0]=4 184 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [1,0,0,0,0,0|3,0,0]=4 185 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [1,0,0,0,0,0|3,0,0]=4 186 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [1,0,0,0,0,0|3,0,0]=4 187 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [1,0,0,0,0,0|3,0,0]=4 188 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [1,0,0,0,0,0|3,0,0]=4 189 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [1,0,0,0,0,0|3,0,0]=4 190 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [1,0,0,0,0,0|2,0,1]=4 191 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [1,0,0,0,0,0|2,0,1]=4 192 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [1,0,0,0,0,0|2,0,0]=3 193 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [1,0,0,0,0,0|2,0,0]=3 194 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [1,0,0,0,0,0|3,0,0]=4 195 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [1,0,0,0,0,0|3,0,0]=4 196 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [1,0,0,0,0,0|3,0,0]=4 197 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [1,0,0,0,0,0|3,0,0]=4 198 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [1,0,0,0,0,0|3,0,0]=4 199 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [1,0,0,0,0,0|3,0,0]=4 200 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [1,0,0,0,0,0|2,0,1]=4 201 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [1,0,0,0,0,0|2,0,0]=3 202 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [1,0,0,0,0,0|3,0,0]=4 203 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [1,0,0,0,0,0|3,0,0]=4 204 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [1,0,0,0,0,0|3,0,0]=4 205 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [1,0,0,0,0,0|2,0,1]=4 206 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [1,0,0,0,0,0|2,0,1]=4 207 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [1,0,0,0,0,0|2,0,0]=3 208 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [1,0,0,0,0,0|2,0,0]=3 209 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [1,0,0,0,0,0|2,0,0]=3 210 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [1,0,0,0,0,0|2,0,0]=3 211 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [1,0,0,0,0,0|1,0,1]=3 212 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [1,0,0,0,0,0|3,0,0]=4 213 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [1,0,0,0,0,0|3,0,0]=4 214 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [1,0,0,0,0,0|3,0,0]=4 215 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [1,0,0,0,0,0|3,0,0]=4 216 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [1,0,0,0,0,0|3,0,0]=4 217 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [1,0,0,0,0,0|3,0,0]=4 218 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [1,0,0,0,0,0|2,0,1]=4 219 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [1,0,0,0,0,0|2,0,1]=4 220 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [1,0,0,0,0,0|2,0,0]=3 221 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [1,0,0,0,0,0|2,0,0]=3 222 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [1,0,0,0,0,0|3,0,0]=4 223 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [1,0,0,0,0,0|3,0,0]=4 224 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [1,0,0,0,0,0|3,0,0]=4 225 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [1,0,0,0,0,0|3,0,0]=4 226 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [1,0,0,0,0,0|2,0,1]=4 227 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [1,0,0,0,0,0|3,0,0]=4 228 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [1,0,0,0,0,0|3,0,0]=4 229 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [1,0,0,0,0,0|3,0,0]=4 230 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [1,0,0,0,0,0|2,0,1]=4 231 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [1,0,0,0,0,0|2,0,1]=4 232 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [1,0,0,0,0,0|3,0,0]=4 233 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [1,0,0,0,0,0|3,0,0]=4 234 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [1,0,0,0,0,0|3,0,0]=4 235 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [1,0,0,0,0,0|3,0,0]=4 236 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [1,0,0,0,0,0|3,0,0]=4 237 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [1,0,0,0,0,0|3,0,0]=4 238 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [1,0,0,0,0,0|2,0,1]=4 239 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [1,0,0,0,0,0|2,0,1]=4 240 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [1,0,0,0,0,0|3,0,0]=4 241 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [1,0,0,0,0,0|3,0,0]=4 242 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [1,0,0,0,0,0|3,0,0]=4 243 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [1,0,0,0,0,0|3,0,0]=4 244 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [1,0,0,0,0,0|3,0,0]=4 245 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [1,0,0,0,0,0|3,0,0]=4 246 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [1,0,0,0,0,0|3,0,0]=4 247 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [1,0,0,0,0,0|3,0,0]=4 248 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [1,0,0,0,0,0|3,0,0]=4 249 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [1,0,0,0,0,0|3,0,0]=4 250 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [1,0,0,0,0,0|3,0,0]=4 251 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [1,0,0,0,0,0|3,0,0]=4 252 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [1,0,0,0,0,0|3,0,0]=4 253 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [1,0,0,0,0,0|3,0,0]=4 254 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [1,0,0,0,0,0|3,0,0]=4 255 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [1,0,0,0,0,0|3,0,0]=4 256 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [1,0,0,0,0,0|3,0,0]=4 257 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [1,0,0,0,0,0|3,0,0]=4 258 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [1,0,0,0,0,0|3,0,0]=4 259 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [1,0,0,0,0,0|3,0,0]=4 260 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [1,0,0,0,0,0|3,0,0]=4 261 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [1,0,0,0,0,0|2,0,1]=4 262 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [1,0,0,0,0,0|3,0,0]=4 263 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [1,0,0,0,0,0|3,0,0]=4 264 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [1,0,0,0,0,0|3,0,0]=4 265 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [1,0,0,0,0,0|3,0,0]=4 266 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [1,0,0,0,0,0|3,0,0]=4 267 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [1,0,0,0,0,0|3,0,0]=4 268 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [1,0,0,0,0,0|3,0,0]=4 269 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [1,0,0,0,0,0|2,0,0]=3 270 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [1,0,0,0,0,0|2,0,0]=3 271 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [1,0,0,0,0,0|2,0,0]=3 272 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [1,0,0,0,0,0|2,0,0]=3 273 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [1,0,0,0,0,0|3,0,0]=4 274 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [1,0,0,0,0,0|3,0,0]=4 275 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [1,0,0,0,0,0|3,0,0]=4 276 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [1,0,0,0,0,0|3,0,0]=4 277 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [1,0,0,0,0,0|3,0,0]=4 278 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [1,0,0,0,0,0|3,0,0]=4 279 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [1,0,0,0,0,0|3,0,0]=4 280 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [1,0,0,0,0,0|3,0,0]=4 281 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [1,0,0,0,0,0|3,0,0]=4 282 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [1,0,0,0,0,0|3,0,0]=4 283 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [1,0,0,0,0,0|3,0,0]=4 284 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [1,0,0,0,0,0|3,0,0]=4 285 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [1,0,0,0,0,0|3,0,0]=4 286 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 287 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 288 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [1,0,0,0,0,0|3,0,0]=4 289 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [1,0,0,0,0,0|3,0,0]=4 290 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 291 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 292 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [1,0,0,0,0,0|3,0,0]=4 293 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [1,0,0,0,0,0|3,0,0]=4 294 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [1,0,0,0,0,0|3,0,0]=4 295 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [1,0,0,0,0,0|3,0,0]=4 296 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [1,0,0,0,0,0|3,0,0]=4 297 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [1,0,0,0,0,0|3,0,0]=4 298 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [1,0,0,0,0,0|3,0,0]=4 299 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [1,0,0,0,0,0|3,0,0]=4 300 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 301 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [1,0,0,0,0,0|3,0,0]=4 302 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [1,0,0,0,0,0|3,0,0]=4 303 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [1,0,0,0,0,0|3,0,0]=4 304 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [1,0,0,0,0,0|3,0,0]=4 305 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [1,0,0,0,0,0|3,0,0]=4 306 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [1,0,0,0,0,0|3,0,0]=4 307 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [1,0,0,0,0,0|3,0,0]=4 308 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [1,0,0,0,0,0|3,0,0]=4 309 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 310 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 311 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 312 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [1,0,0,0,0,0|3,0,0]=4 313 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [1,0,0,0,0,0|3,0,0]=4 314 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [1,0,0,0,0,0|3,0,0]=4 315 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [1,0,0,0,0,0|3,0,0]=4 316 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [1,0,0,0,0,0|3,0,0]=4 317 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [1,0,0,0,0,0|3,0,0]=4 318 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [1,0,0,0,0,0|3,0,0]=4 319 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [1,0,0,0,0,0|3,0,0]=4 320 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [1,0,0,0,0,0|3,0,0]=4 321 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [1,0,0,0,0,0|3,0,0]=4 322 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [1,0,0,0,0,0|3,0,0]=4 323 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [1,0,0,0,0,0|3,0,0]=4 324 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [1,0,0,0,0,0|3,0,0]=4 325 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [1,0,0,0,0,0|3,0,0]=4 326 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [1,0,0,0,0,0|3,0,0]=4 327 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [1,0,0,0,0,0|3,0,0]=4 328 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [1,0,0,0,0,0|3,0,0]=4 329 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [1,0,0,0,0,0|3,0,0]=4 330 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [1,0,0,0,0,0|3,0,0]=4 331 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [1,0,0,0,0,0|3,0,0]=4 332 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [1,0,0,0,0,0|3,0,0]=4 333 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [1,0,0,0,0,0|2,0,1]=4 334 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [1,0,0,0,0,0|3,0,0]=4 335 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [1,0,0,0,0,0|3,0,0]=4 336 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 337 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [1,0,0,0,0,0|2,0,0]=3 338 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [1,0,0,0,0,0|3,0,0]=4 339 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [1,0,0,0,0,0|3,0,0]=4 340 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [1,0,0,0,0,0|2,0,1]=4 341 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [1,0,0,0,0,0|2,0,1]=4 342 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [1,0,0,0,0,0|2,0,1]=4 343 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [1,0,0,0,0,0|2,0,1]=4 344 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [1,0,0,0,0,0|2,0,1]=4 345 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [1,0,0,0,0,0|2,0,1]=4 346 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [1,0,0,0,0,0|2,0,1]=4 347 B15R0.366 C=CCC(C)COCCCCCCCCC 34a_100009832082_100011214924 [1,0,0,0,0,0|3,0,0]=4 348 B15R0.366 C=CCC(C)COCCCCCCCCC 7a_100009832082_100000210328 [1,0,0,0,0,0|3,0,0]=4 349 B15R0.366 C=CCN(C)CCCCCCCCCCC 2230a_100000225617_100011215454 [1,0,0,0,0,0|3,0,0]=4 350 B15R0.366 C=CCN(C)CCCCCCCCCCC 269982a_100000225617_100011215454 [1,0,0,0,0,0|3,0,0]=4 351 B15R0.366 C=CC[C@@H](N)COCCCCCCCCC 34a_100020615467_100011214924 [1,0,0,0,0,0|3,0,0]=4 352 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [1,0,0,0,0,0|0,0,3]=4 353 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [1,0,0,0,0,0|0,0,3]=4 354 B15R0.366 CCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215454 [1,0,0,0,0,0|2,0,1]=4 355 B15R0.366 CCCCCCCCCCCN(C)CCO 269982a_100000210263_100011215454 [1,0,0,0,0,0|2,0,1]=4 356 B15R0.366 CCCCCCCCCCNC(C)CCO 2230a_100000684558_100009893172 [1,0,0,0,0,0|2,0,1]=4 357 B15R0.366 CCCCCCCCCCNC(C)CCO 34a_100000684558_100009893172 [1,0,0,0,0,0|2,0,1]=4 358 B15R0.366 CCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210320 [1,0,0,0,0,0|2,0,1]=4 359 B15R0.366 CCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210320 [1,0,0,0,0,0|2,0,1]=4 360 B15R0.366 CCCCCCCCCCOC(C)CCO 34a_100000210711_100009893172 [1,0,0,0,0,0|2,0,1]=4 361 B15R0.366 CCCCCCCCCCOC(C)CCO 7a_100000210711_100009893172 [1,0,0,0,0,0|2,0,1]=4 362 B15R0.366 CCCCCCCCCCSC(C)CCO 62a_100009893172_100000210320 [1,0,0,0,0,0|2,0,1]=4 363 B15R0.366 CCCCCCCCCNCC(O)COC 2230a_100000756049_100011214924 [1,0,0,0,0,0|3,0,0]=4 364 B15R0.366 CCCCCCCCCNCC(O)COC 34a_100000212291_100011215053 [1,0,0,0,0,0|3,0,0]=4 365 B15R0.366 CCCCCCCCCNCC(O)COC 34a_100000756049_100011214924 [1,0,0,0,0,0|3,0,0]=4 366 B15R0.366 CCCCCCCCCNC[C@@H](O)CC#N 2230a_100000212291_100000001066 [1,0,0,0,0,0|2,0,1]=4 367 B15R0.366 CCCCCCCCCOCC(O)COC 34a_100000210712_100011215053 [1,0,0,0,0,0|3,0,0]=4 368 B15R0.366 CCCCCCCCCOCC(O)COC 7a_100000210712_100011215053 [1,0,0,0,0,0|3,0,0]=4 369 B15R0.366 CCCCCCCCCOC[C@@H](O)CC#N 7a_100000210712_100000001066 [1,0,0,0,0,0|2,0,1]=4 370 B15R0.366 CCCCCCCCCSCC(O)COC 62a_100011215053_100000210670 [1,0,0,0,0,0|3,0,0]=4 371 B15R0.366 CCCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210670 [1,0,0,0,0,0|2,0,1]=4 372 B17R0.67 CCOC(=O)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000755133 [0,1,0,0,0,0|2,0,1]=4 373 B17R0.114 CCCCCCCCCC(C)CN(C)CC(=O)N 270004a_100000739694_200011218516 [0,1,0,0,0,0|3,0,0]=4 374 B17R0.116 C=CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011093070 [0,1,0,0,0,0|2,0,1]=4 375 B17R0.116 C=CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011933949 [0,1,0,0,0,0|0,0,2]=3 376 B17R0.116 CCC#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_200000036426 [0,1,0,0,0,0|0,0,2]=3 377 B17R0.116 CCCCC#CCCCCCCN(C)CC(=O)O 269956a_100000746989_200000043322 [0,1,0,0,0,0|2,0,1]=4 378 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [0,1,0,0,0,0|1,0,2]=4 379 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [0,1,0,0,0,0|1,0,2]=4 380 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [0,1,0,0,0,0|0,0,3]=4 381 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000227908_100000747473 [0,1,0,0,0,0|3,0,0]=4 382 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215052 [0,1,0,0,0,0|3,0,0]=4 383 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 269982a_100000227908_100000187820 [0,1,0,0,0,0|3,0,0]=4 384 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_100011218549 [0,1,0,0,0,0|3,0,0]=4 385 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,1,0,0,0,0|2,0,0]=3 386 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000227908_100020667443 [0,1,0,0,0,0|2,0,1]=4 387 B17R0.116 CCCCCCCCCCCNC(=O)CC(=O)N 240690a_200011215754_100134613110 [0,1,0,0,0,0|1,0,2]=4 388 B17R0.116 CCCCCCCCCCCNC(=O)CC(=O)N 527a_200011215754_100134613110 [0,1,0,0,0,0|1,0,2]=4 389 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,1,0,0,0,0|0,0,0]=1 390 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009812471 [0,1,0,0,0,0|3,0,0]=4 391 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009812471 [0,1,0,0,0,0|2,0,0]=3 392 B17R0.116 COCCOCCOCCNCC(O)CC(=O)O 269956a_100011218706_100013367474 [0,1,0,0,0,0|3,0,0]=4 393 B17R0.116 NC(=O)CC(=O)CCCCCCCCCCCO 1458a_100134613110_100009812471 [0,1,0,0,0,0|1,0,2]=4 394 B17R0.116 O=C(O)CC(O)CNCCCCCCCCCO 269956a_100011218706_100009813782 [0,1,0,0,0,0|1,0,0]=2 395 B17R0.186 COC(=O)CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009815986 [0,1,0,0,0,0|2,0,1]=4 396 B17R0.189 C=CCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011933949 [0,1,0,0,0,0|1,0,2]=4 397 B17R0.189 CCC#CCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_200000036426 [0,1,0,0,0,0|1,0,2]=4 398 B17R0.189 CCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100011215454 [0,1,0,0,0,0|2,0,0]=3 399 B17R0.189 CCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100011215454 [0,1,0,0,0,0|1,0,1]=3 400 B17R0.189 CCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210320 [0,1,0,0,0,0|2,0,0]=3 401 B17R0.189 CCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210320 [0,1,0,0,0,0|1,0,0]=2 402 B17R0.189 CCN(CCCCCCCCCCO)CC(=O)O 269956a_100000746405_100009813290 [0,1,0,0,0,0|3,0,0]=4 403 B17R0.189 CC[C@H](CC(=O)O)NCCCCCCCCCO 269956a_100016995926_100009813782 [0,1,0,0,0,0|3,0,0]=4 404 B17R0.189 O=C(O)C[C@@H](CO)NCCCCCCCCCO 269956a_100009816507_100009813782 [0,1,0,0,0,0|2,0,0]=3 405 B17R0.189 O=C([O-])CN(CO)CCCCCCCCCCO 269956a_100016989150_100009813290 [0,1,0,0,0,0|2,0,1]=4 406 B17R0.191 CC(C(=O)O)N(C)CCCCCCCCCCO 269956a_100000749554_100009813290 [0,1,0,0,0,0|3,0,0]=4 407 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210736_100000179758 [0,1,0,0,0,0|1,0,2]=4 408 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210736_100000702099 [0,1,0,0,0,0|1,0,2]=4 409 B17R0.191 CCCCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210736_100009813875 [0,1,0,0,0,0|1,0,2]=4 410 B17R0.191 CCCCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210736_100020610796 [0,1,0,0,0,0|0,0,3]=4 411 B17R0.191 CCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100011215454 [0,1,0,0,0,0|2,0,0]=3 412 B17R0.191 CCCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210320 [0,1,0,0,0,0|3,0,0]=4 413 B17R0.233 CCCCCCNC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000230325 [0,1,0,0,0,0|2,0,1]=4 414 B17R0.6460 CC(C)(CC(=O)O)NCCCCCCCCCO 269956a_100000755897_100009813782 [0,1,0,0,0,0|3,0,0]=4 415 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210320 [0,1,0,0,0,0|3,0,0]=4 416 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210320 [0,1,0,0,0,0|2,0,0]=3 417 B17R0.6460 CCCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210320 [0,1,0,0,0,0|3,0,0]=4 418 B17R0.13601 C#CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000054614_100000754131 [0,1,0,0,0,0|1,0,2]=4 419 B17R0.13601 C#CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000054614_100000754131 [0,1,0,0,0,0|1,0,2]=4 420 B17R0.13601 C#CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100153394163 [0,1,0,0,0,0|1,0,2]=4 421 B17R0.13601 C#CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100153394163_100000754131 [0,1,0,0,0,0|1,0,2]=4 422 B17R0.13601 C=CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000730831_100000754131 [0,1,0,0,0,0|1,0,2]=4 423 B17R0.13601 C=CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000730831_100000754131 [0,1,0,0,0,0|1,0,2]=4 424 B17R0.13601 C=CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100012355270 [0,1,0,0,0,0|1,0,2]=4 425 B17R0.13601 C=CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100012355270_100000754131 [0,1,0,0,0,0|1,0,2]=4 426 B17R0.13601 CC/C=C\CCCCCOC[C@H](O)CC(=O)OC 34a_100016268722_100000754131 [0,1,0,0,0,0|1,0,2]=4 427 B17R0.13601 CC/C=C\CCCCCOC[C@H](O)CC(=O)OC 7a_100016268722_100000754131 [0,1,0,0,0,0|1,0,2]=4 428 B17R0.13601 CCCCC#CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_200000047210 [0,1,0,0,0,0|1,0,2]=4 429 B17R0.13601 CCCCC#CCCCSC[C@H](O)CC(=O)OC 62a_200000047210_100000754131 [0,1,0,0,0,0|1,0,2]=4 430 B17R0.13601 CCCCC/C=C\CCOC[C@H](O)CC(=O)OC 34a_100016277358_100000754131 [0,1,0,0,0,0|1,0,2]=4 431 B17R0.13601 CCCCC/C=C\CCOC[C@H](O)CC(=O)OC 7a_100016277358_100000754131 [0,1,0,0,0,0|1,0,2]=4 432 B17R0.13601 CCCCCC#CCCOC[C@H](O)CC(=O)OC 34a_200000042877_100000754131 [0,1,0,0,0,0|1,0,2]=4 433 B17R0.13601 CCCCCC#CCCOC[C@H](O)CC(=O)OC 7a_200000042877_100000754131 [0,1,0,0,0,0|1,0,2]=4 434 B17R0.13601 CCCCCC/C=C/COC[C@H](O)CC(=O)OC 34a_200016276170_100000754131 [0,1,0,0,0,0|1,0,2]=4 435 B17R0.13601 CCCCCC/C=C/COC[C@H](O)CC(=O)OC 7a_200016276170_100000754131 [0,1,0,0,0,0|1,0,2]=4 436 B17R0.13601 CCCCCCC#CCOC[C@H](O)CC(=O)OC 34a_200000037284_100000754131 [0,1,0,0,0,0|1,0,2]=4 437 B17R0.13601 CCCCCCC#CCOC[C@H](O)CC(=O)OC 7a_200000037284_100000754131 [0,1,0,0,0,0|1,0,2]=4 438 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [0,1,0,0,0,0|1,0,2]=4 439 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210736_100000183359 [0,1,0,0,0,0|1,0,2]=4 440 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210736_100000747449 [0,1,0,0,0,0|0,0,2]=3 441 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215454 [0,1,0,0,0,0|0,0,2]=3 442 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_100000082106 [0,1,0,0,0,0|1,0,0]=2 443 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_100000082106 [0,1,0,0,0,0|1,0,0]=2 444 B17R0.13601 CCCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215454 [0,1,0,0,0,0|3,0,0]=4 445 B17R0.13601 CCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215454 [0,1,0,0,0,0|2,0,0]=3 446 B17R0.13601 CCCCCCCCCCNC(=O)CC(=O)OC 240690a_100000684558_100000211351 [0,1,0,0,0,0|1,0,2]=4 447 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 2230a_100000684558_100009817358 [0,1,0,0,0,0|2,0,0]=3 448 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 34a_100000684558_100009817358 [0,1,0,0,0,0|2,0,0]=3 449 B17R0.13601 CCCCCCCCCCOC(=O)CC(=O)CO 1458a_100000210174_100000210668 [0,1,0,0,0,0|1,0,2]=4 450 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 34a_100000210711_100009817358 [0,1,0,0,0,0|2,0,0]=3 451 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 7a_100000210711_100009817358 [0,1,0,0,0,0|2,0,0]=3 452 B17R0.13601 CCCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210320 [0,1,0,0,0,0|2,0,0]=3 453 B17R0.13601 CCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000212291_100000754131 [0,1,0,0,0,0|1,0,0]=2 454 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210712_100000754131 [0,1,0,0,0,0|1,0,0]=2 455 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210712_100000754131 [0,1,0,0,0,0|1,0,0]=2 456 B17R0.13601 CCCCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210670 [0,1,0,0,0,0|1,0,2]=4 457 B17R0.13601 CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210670 [0,1,0,0,0,0|1,0,0]=2 458 B17R0.13601 CCCCCCOCCOC[C@H](O)CC(=O)OC 34a_100000691444_100000754131 [0,1,0,0,0,0|2,0,0]=3 459 B17R0.13601 CCCCCCOCCOC[C@H](O)CC(=O)OC 7a_100000691444_100000754131 [0,1,0,0,0,0|2,0,0]=3 460 B17R0.13601 CCCCNCCCCOC[C@H](O)CC(=O)OC 34a_200011216965_100000754131 [0,1,0,0,0,0|2,0,0]=3 461 B17R0.13601 CCCCOCCCCOC[C@H](O)CC(=O)OC 34a_200000760531_100000754131 [0,1,0,0,0,0|2,0,0]=3 462 B17R0.13601 CCCCOCCCCOC[C@H](O)CC(=O)OC 7a_200000760531_100000754131 [0,1,0,0,0,0|2,0,0]=3 463 B17R0.13601 CCCOCCOCCNC[C@H](O)CC(=O)OC 34a_200011904461_100000754131 [0,1,0,0,0,0|3,0,0]=4 464 B17R0.13601 COC(=O)CC(=O)CCCCCCCCCCO 1458a_100000211351_100009813290 [0,1,0,0,0,0|1,0,2]=4 465 B17R0.13601 COC(=O)CC(C)NCCCCCCCCCO 2230a_100000078944_100009817358 [0,1,0,0,0,0|3,0,0]=4 466 B17R0.13601 COC(=O)CC(C)NCCCCCCCCCO 34a_100000078944_100009817358 [0,1,0,0,0,0|3,0,0]=4 467 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCBr 34a_100009813782_100009817358 [0,1,0,0,0,0|3,0,0]=4 468 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCBr 7a_100009813782_100009817358 [0,1,0,0,0,0|3,0,0]=4 469 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCCl 34a_100009868337_100009817358 [0,1,0,0,0,0|3,0,0]=4 470 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCCl 7a_100009868337_100009817358 [0,1,0,0,0,0|3,0,0]=4 471 B17R0.13601 COC(=O)CC(C)OCCCCCCCCCN 34a_100000078944_100009817358 [0,1,0,0,0,0|3,0,0]=4 472 B17R0.13601 COC(=O)CC(C)SCCCCCCCCCO 62a_100009813782_100009817358 [0,1,0,0,0,0|3,0,0]=4 473 B17R0.13601 COC(=O)CC(C)SCCCCCCCCCO 62a_100009817358_100009813782 [0,1,0,0,0,0|3,0,0]=4 474 B17R0.13601 COC(=O)CN(C)CCCCCCCCCCO 2230a_100000198492_100009813290 [0,1,0,0,0,0|3,0,0]=4 475 B17R0.13601 COC(=O)C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100000754131 [0,1,0,0,0,0|2,0,0]=3 476 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100000754131 [0,1,0,0,0,0|2,0,0]=3 477 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100000754131 [0,1,0,0,0,0|2,0,0]=3 478 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100000754131 [0,1,0,0,0,0|2,0,0]=3 479 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100000754131 [0,1,0,0,0,0|2,0,0]=3 480 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCCCCN 34a_102515433106_100000754131 [0,1,0,0,0,0|2,0,0]=3 481 B17R0.13601 COC(=O)C[C@@H](O)COCCCCCNCCN 34a_103619048469_100000754131 [0,1,0,0,0,0|3,0,0]=4 482 B17R0.13601 COC(=O)C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100000754131 [0,1,0,0,0,0|2,0,0]=3 483 B17R0.13601 COC(=O)C[C@@H](O)CSCCCCCCCCO 62a_100000754131_100000033203 [0,1,0,0,0,0|2,0,0]=3 484 B17R0.13601 COCCCOCCCOC[C@H](O)CC(=O)OC 34a_200011215475_100000754131 [0,1,0,0,0,0|3,0,0]=4 485 B17R0.13601 COCCCOCCCOC[C@H](O)CC(=O)OC 7a_200011215475_100000754131 [0,1,0,0,0,0|3,0,0]=4 486 B17R0.13612 CCCCCCCCCNCC(O)CS(=O)(=O)[O-] 34a_100000212291_100016993520 [0,1,0,0,0,0|2,0,1]=4 487 B17R0.13612 CCCCCCCCCOCC(O)CS(=O)(=O)[O-] 34a_100000210712_100016993520 [0,1,0,0,0,0|2,0,1]=4 488 B17R0.13612 CCCCCCCCCOCC(O)CS(=O)(=O)[O-] 7a_100000210712_100016993520 [0,1,0,0,0,0|2,0,1]=4 489 B17R0.13612 CCCCCCCCCSCC(O)CS(=O)(=O)[O-] 62a_100016993520_100000210670 [0,1,0,0,0,0|2,0,1]=4 490 B17R0.13636 CCCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_200011219864 [0,1,0,0,0,0|3,0,0]=4 491 B17R1.450 CN1CCCCC1CCNCC(O)CC(=O)O 269956a_100011218706_100000211948 [0,0,0,1,0,0|2,0,0]=3 492 B17R1.1241 CCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215454 [0,0,0,1,0,0|3,0,0]=4 493 B17R1.1241 CCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210320 [0,0,0,1,0,0|3,0,0]=4 494 B17R1.1241 CCCCCCCCCCNC1COC(=O)O1 34a_100000684558_100000032252 [0,0,0,1,0,0|3,0,0]=4 495 B17R1.1241 CCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210320 [0,0,0,1,0,0|3,0,0]=4 496 B17R1.1241 CCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210320 [0,0,0,1,0,0|3,0,0]=4 497 B17R1.1241 CCCCCCCCCCOC1COC(=O)O1 34a_100000210711_100000032252 [0,0,0,1,0,0|3,0,0]=4 498 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100011214924 [0,0,0,1,0,0|3,0,0]=4 499 B17R1.1241 CCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100011214924 [0,0,0,1,0,0|3,0,0]=4 500 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [0,0,0,1,0,0|3,0,0]=4 501 B17R1.1241 CCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000212291_100015307671 [0,0,0,1,0,0|3,0,0]=4 502 B17R1.1241 CCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000212291_100015307671 [0,0,0,1,0,0|3,0,0]=4 503 B17R1.1241 CCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100011214924 [0,0,0,1,0,0|3,0,0]=4 504 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [0,0,0,1,0,0|3,0,0]=4 505 B17R1.1241 CCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210712_100015307671 [0,0,0,1,0,0|3,0,0]=4 506 B17R1.1241 CCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210712_100015307671 [0,0,0,1,0,0|3,0,0]=4 507 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [0,0,0,1,0,0|3,0,0]=4 508 B17R1.1241 CCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210670 [0,0,0,1,0,0|3,0,0]=4 509 B17R1.8307 O=C(O)CC(O)CNCCCC1CCCCC1 269956a_100011218706_100011713725 [0,0,0,1,0,0|1,0,0]=2 510 B17R1.8307 O=C(O)CC(O)CNCCCN1CCCCC1 269956a_100011218706_100000007876 [0,0,0,1,0,0|2,0,0]=3 511 B17R1.8307 O=C(O)CC(O)CNCCCN1CCOCC1 269956a_100011218706_100000760944 [0,0,0,1,0,0|3,0,0]=4 512 B17R1.8307 O=C(O)CC(O)CNCCOC1CCCCC1 269956a_100011218706_100011211530 [0,0,0,1,0,0|2,0,0]=3 513 B17R1.8307 O=C(O)CC(O)CNCCOC1CCCCO1 269956a_100011218706_100000744793 [0,0,0,1,0,0|3,0,0]=4 514 B17R1.8312 O=C(O)CC(O)CNCCCCC1OCCO1 269956a_100011218706_100000034956 [0,0,0,1,0,0|3,0,0]=4 515 B17R1.17307 CCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210759 [0,0,0,1,0,0|2,0,0]=3 516 B17R1.17307 COCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011998445 [0,0,0,1,0,0|3,0,0]=4 517 B17R1.17307 O=C(O)CC1CCN(C1)CCCCCCCO 269956a_100000719201_100000760002 [0,0,0,1,0,0|3,0,0]=4 518 B17R1.25094 CCCCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_100000189428 [0,0,0,1,0,0|3,0,0]=4 519 B17R1.25278 CCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210670 [0,0,0,1,0,0|2,0,0]=3 520 B17R1.25278 O=C(O)CC1CN(C1)CCCCCCCCO 269956a_100016993960_100000033203 [0,0,0,1,0,0|3,0,0]=4 521 B17R1.25717 CCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210614 [0,0,0,1,0,0|2,0,0]=3 522 B17R1.25717 CCCCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210614 [0,0,0,1,0,0|3,0,0]=4 523 B17R1.25717 CCCCOCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000743108 [0,0,0,1,0,0|3,0,0]=4 524 B17R1.25717 O=C(O)CC1CCCN(C1)CCCCCCF 269956a_100015207179_100015922095 [0,0,0,1,0,0|3,0,0]=4 525 B17R1.25717 O=C(O)CC1CCCN(C1)CCCCCCO 269956a_100015207179_100000766143 [0,0,0,1,0,0|3,0,0]=4 526 B17R1.151293 O=C(O)CC(O)CNCCN1CCCCCC1 269956a_100011218706_100000722644 [0,0,0,1,0,0|2,0,0]=3 527 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,0,0,0,1,0|3,0,0]=4 528 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,0,0,0,1,0|3,0,0]=4 529 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,0,0,0,1,0|3,0,0]=4 530 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,0,0,0,1,0|3,0,0]=4 531 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,0,0,0,1,0|3,0,0]=4 532 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,0,0,0,1,0|3,0,0]=4 533 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,0,0,0,1,0|2,0,1]=4 534 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,0,0,0,1,0|2,0,0]=3 535 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,0,0,0,1,0|3,0,0]=4 536 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,0,0,0,1,0|3,0,0]=4 537 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,0,0,0,1,0|3,0,0]=4 538 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,0,0,0,1,0|3,0,0]=4 539 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,0,0,0,1,0|3,0,0]=4 540 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,0,0,0,1,0|3,0,0]=4 541 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,0,0,0,1,0|3,0,0]=4 542 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,0,0,0,1,0|3,0,0]=4 543 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,0,0,0,1,0|2,0,1]=4 544 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,0,0,0,1,0|2,0,1]=4 545 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,0,0,0,1,0|3,0,0]=4 546 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,0,0,0,1,0|3,0,0]=4 547 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,0,0,0,1,0|3,0,0]=4 548 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,0,0,0,1,0|3,0,0]=4 549 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,0,0,0,1,0|3,0,0]=4 550 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,0,0,0,1,0|2,0,1]=4 551 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,0,0,0,1,0|2,0,0]=3 552 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,0,0,0,1,0|2,0,0]=3 553 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,0,0,0,1,0|3,0,0]=4 554 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,0,0,0,1,0|3,0,0]=4 555 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,0,0,0,1,0|3,0,0]=4 556 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,0,0,0,1,0|3,0,0]=4 557 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,0,0,0,1,0|3,0,0]=4 558 B17R0.192 CC(=O)OCC(O)CNCCCCCCCCO 34a_102515433106_200000139349 [0,0,0,0,0,1|3,0,0]=4 559 B17R0.192 CC(=O)OCC(O)COCCCCCCCCBr 34a_100009813846_200000139349 [0,0,0,0,0,1|3,0,0]=4 560 B17R0.192 CC(=O)OCC(O)COCCCCCCCCBr 7a_100009813846_200000139349 [0,0,0,0,0,1|3,0,0]=4 561 B17R0.192 CC(=O)OCC(O)COCCCCCCCCCl 34a_100000033203_200000139349 [0,0,0,0,0,1|3,0,0]=4 562 B17R0.192 CC(=O)OCC(O)COCCCCCCCCCl 7a_100000033203_200000139349 [0,0,0,0,0,1|3,0,0]=4 563 B17R0.192 CC(=O)OCC(O)COCCCCCCCCN 34a_102515433106_200000139349 [0,0,0,0,0,1|3,0,0]=4 564 B17R0.192 CC(=O)OCC(O)CSCCCCCCCCO 62a_100000033203_200000139349 [0,0,0,0,0,1|3,0,0]=4 565 B17R0.192 CC(=O)OCC(O)CSCCCCCCCCO 62a_200000139349_100000033203 [0,0,0,0,0,1|3,0,0]=4 566 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,0,0,0,0,1|1,0,2]=4 567 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,0,0,0,0,1|1,0,2]=4 568 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215454 [0,0,0,0,0,1|1,0,2]=4 569 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,0,0,0,0,1|1,0,2]=4 570 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,0,0,0,0,1|1,0,2]=4 571 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,0,0,0,0,1|1,0,2]=4 572 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210736 [0,0,0,0,0,1|1,0,2]=4 573 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210736 [0,0,0,0,0,1|1,0,2]=4 574 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,0,0,0,0,1|1,0,2]=4 575 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,0,0,0,0,1|1,0,2]=4 576 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [0,0,0,0,0,1|2,0,1]=4 577 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 34a_100011217895_100000187820 [0,0,0,0,0,1|2,0,0]=3 578 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)N 7a_100011217895_100000187820 [0,0,0,0,0,1|2,0,0]=3 579 B17R0.192 CCCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011217895_100020667443 [0,0,0,0,0,1|1,0,1]=3 580 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [0,0,0,0,0,1|2,0,1]=4 581 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [0,0,0,0,0,1|2,0,1]=4 582 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [0,0,0,0,0,1|2,0,1]=4 583 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [0,0,0,0,0,1|2,0,1]=4 584 B17R0.192 CCCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011217895_100000761209 [0,0,0,0,0,1|2,0,1]=4 585 B17R0.192 CCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215454 [0,0,0,0,0,1|3,0,0]=4 586 B17R0.192 CCCCCCCCCCNC(C)COC(=O)C 270004a_100000684558_100000000629 [0,0,0,0,0,1|3,0,0]=4 587 B17R0.192 CCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210670 [0,0,0,0,0,1|1,0,2]=4 588 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 2230a_100000212291_200000116872 [0,0,0,0,0,1|3,0,0]=4 589 B17R0.192 CCCCCCCCCNCC(C)CSC(=O)C 34a_100000212291_200000116872 [0,0,0,0,0,1|3,0,0]=4 590 B17R0.192 CCCCCCCCCNCC(O)COC(=O)C 34a_100000212291_200000139349 [0,0,0,0,0,1|2,0,0]=3 591 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 34a_100000210712_200000116872 [0,0,0,0,0,1|3,0,0]=4 592 B17R0.192 CCCCCCCCCOCC(C)CSC(=O)C 7a_100000210712_200000116872 [0,0,0,0,0,1|3,0,0]=4 593 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 34a_100000210712_200000139349 [0,0,0,0,0,1|2,0,0]=3 594 B17R0.192 CCCCCCCCCOCC(O)COC(=O)C 7a_100000210712_200000139349 [0,0,0,0,0,1|2,0,0]=3 595 B17R0.192 CCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210670 [0,0,0,0,0,1|2,0,0]=3 596 B17R0.192 CCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210759 [0,0,0,0,0,1|1,0,2]=4 597 B17R0.192 CCCCCCOCCOCC(O)COC(=O)C 34a_100000691444_200000139349 [0,0,0,0,0,1|3,0,0]=4 598 B17R0.192 CCCCCCOCCOCC(O)COC(=O)C 7a_100000691444_200000139349 [0,0,0,0,0,1|3,0,0]=4 599 B17R0.192 CCCCNCCCCOCC(O)COC(=O)C 34a_200011216965_200000139349 [0,0,0,0,0,1|3,0,0]=4 600 B17R0.192 CCCCOCCCCOCC(O)COC(=O)C 34a_200000760531_200000139349 [0,0,0,0,0,1|3,0,0]=4 601 B17R0.192 CCCCOCCCCOCC(O)COC(=O)C 7a_200000760531_200000139349 [0,0,0,0,0,1|3,0,0]=4 602 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [2,0,0,0,0,0|2,0,0]=4 603 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [2,0,0,0,0,0|1,0,0]=3 604 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [2,0,0,0,0,0|2,0,0]=4 605 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [2,0,0,0,0,0|2,0,0]=4 606 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [2,0,0,0,0,0|2,0,0]=4 607 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [2,0,0,0,0,0|2,0,0]=4 608 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [2,0,0,0,0,0|2,0,0]=4 609 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [2,0,0,0,0,0|2,0,0]=4 610 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [2,0,0,0,0,0|1,0,0]=3 611 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [2,0,0,0,0,0|1,0,0]=3 612 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [2,0,0,0,0,0|1,0,0]=3 613 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 614 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 615 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 616 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [2,0,0,0,0,0|2,0,0]=4 617 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [2,0,0,0,0,0|2,0,0]=4 618 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [2,0,0,0,0,0|2,0,0]=4 619 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [2,0,0,0,0,0|2,0,0]=4 620 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [2,0,0,0,0,0|1,0,0]=3 621 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [2,0,0,0,0,0|1,0,1]=4 622 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [2,0,0,0,0,0|2,0,0]=4 623 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [2,0,0,0,0,0|2,0,0]=4 624 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [2,0,0,0,0,0|2,0,0]=4 625 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [2,0,0,0,0,0|1,0,1]=4 626 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [2,0,0,0,0,0|2,0,0]=4 627 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [2,0,0,0,0,0|1,0,1]=4 628 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [2,0,0,0,0,0|2,0,0]=4 629 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [2,0,0,0,0,0|2,0,0]=4 630 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [2,0,0,0,0,0|2,0,0]=4 631 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [2,0,0,0,0,0|2,0,0]=4 632 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [2,0,0,0,0,0|2,0,0]=4 633 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [2,0,0,0,0,0|2,0,0]=4 634 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [2,0,0,0,0,0|2,0,0]=4 635 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [2,0,0,0,0,0|2,0,0]=4 636 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [2,0,0,0,0,0|2,0,0]=4 637 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [2,0,0,0,0,0|2,0,0]=4 638 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [2,0,0,0,0,0|2,0,0]=4 639 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [2,0,0,0,0,0|2,0,0]=4 640 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [2,0,0,0,0,0|2,0,0]=4 641 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [2,0,0,0,0,0|2,0,0]=4 642 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [2,0,0,0,0,0|2,0,0]=4 643 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [2,0,0,0,0,0|2,0,0]=4 644 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [2,0,0,0,0,0|2,0,0]=4 645 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [2,0,0,0,0,0|2,0,0]=4 646 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [2,0,0,0,0,0|2,0,0]=4 647 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [2,0,0,0,0,0|2,0,0]=4 648 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [2,0,0,0,0,0|2,0,0]=4 649 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [2,0,0,0,0,0|2,0,0]=4 650 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [2,0,0,0,0,0|2,0,0]=4 651 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [2,0,0,0,0,0|2,0,0]=4 652 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [2,0,0,0,0,0|2,0,0]=4 653 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [2,0,0,0,0,0|2,0,0]=4 654 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [2,0,0,0,0,0|2,0,0]=4 655 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [2,0,0,0,0,0|2,0,0]=4 656 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [2,0,0,0,0,0|2,0,0]=4 657 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [2,0,0,0,0,0|2,0,0]=4 658 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [2,0,0,0,0,0|2,0,0]=4 659 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [2,0,0,0,0,0|2,0,0]=4 660 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [2,0,0,0,0,0|2,0,0]=4 661 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [2,0,0,0,0,0|2,0,0]=4 662 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [2,0,0,0,0,0|2,0,0]=4 663 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [2,0,0,0,0,0|2,0,0]=4 664 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [2,0,0,0,0,0|2,0,0]=4 665 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [2,0,0,0,0,0|2,0,0]=4 666 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [2,0,0,0,0,0|1,0,1]=4 667 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [2,0,0,0,0,0|2,0,0]=4 668 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [2,0,0,0,0,0|2,0,0]=4 669 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [2,0,0,0,0,0|2,0,0]=4 670 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [2,0,0,0,0,0|2,0,0]=4 671 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [2,0,0,0,0,0|2,0,0]=4 672 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [2,0,0,0,0,0|2,0,0]=4 673 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [2,0,0,0,0,0|2,0,0]=4 674 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [2,0,0,0,0,0|2,0,0]=4 675 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [2,0,0,0,0,0|2,0,0]=4 676 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [2,0,0,0,0,0|2,0,0]=4 677 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [2,0,0,0,0,0|2,0,0]=4 678 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [2,0,0,0,0,0|2,0,0]=4 679 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [2,0,0,0,0,0|2,0,0]=4 680 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [2,0,0,0,0,0|2,0,0]=4 681 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [2,0,0,0,0,0|2,0,0]=4 682 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [2,0,0,0,0,0|2,0,0]=4 683 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [2,0,0,0,0,0|2,0,0]=4 684 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [2,0,0,0,0,0|2,0,0]=4 685 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [2,0,0,0,0,0|2,0,0]=4 686 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [2,0,0,0,0,0|2,0,0]=4 687 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [2,0,0,0,0,0|2,0,0]=4 688 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [2,0,0,0,0,0|2,0,0]=4 689 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [2,0,0,0,0,0|2,0,0]=4 690 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [2,0,0,0,0,0|2,0,0]=4 691 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [2,0,0,0,0,0|2,0,0]=4 692 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [2,0,0,0,0,0|2,0,0]=4 693 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [2,0,0,0,0,0|2,0,0]=4 694 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [2,0,0,0,0,0|2,0,0]=4 695 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [2,0,0,0,0,0|2,0,0]=4 696 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [2,0,0,0,0,0|2,0,0]=4 697 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [2,0,0,0,0,0|2,0,0]=4 698 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [2,0,0,0,0,0|2,0,0]=4 699 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [2,0,0,0,0,0|2,0,0]=4 700 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [2,0,0,0,0,0|2,0,0]=4 701 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [2,0,0,0,0,0|2,0,0]=4 702 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [2,0,0,0,0,0|2,0,0]=4 703 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [2,0,0,0,0,0|2,0,0]=4 704 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [2,0,0,0,0,0|2,0,0]=4 705 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [2,0,0,0,0,0|2,0,0]=4 706 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [2,0,0,0,0,0|2,0,0]=4 707 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [2,0,0,0,0,0|2,0,0]=4 708 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [2,0,0,0,0,0|2,0,0]=4 709 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [2,0,0,0,0,0|2,0,0]=4 710 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [2,0,0,0,0,0|2,0,0]=4 711 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [2,0,0,0,0,0|2,0,0]=4 712 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [2,0,0,0,0,0|2,0,0]=4 713 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [2,0,0,0,0,0|2,0,0]=4 714 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [2,0,0,0,0,0|2,0,0]=4 715 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [2,0,0,0,0,0|2,0,0]=4 716 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [2,0,0,0,0,0|2,0,0]=4 717 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [2,0,0,0,0,0|2,0,0]=4 718 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [2,0,0,0,0,0|2,0,0]=4 719 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [2,0,0,0,0,0|2,0,0]=4 720 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [2,0,0,0,0,0|2,0,0]=4 721 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [2,0,0,0,0,0|2,0,0]=4 722 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [2,0,0,0,0,0|2,0,0]=4 723 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [2,0,0,0,0,0|2,0,0]=4 724 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [2,0,0,0,0,0|2,0,0]=4 725 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [2,0,0,0,0,0|2,0,0]=4 726 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [2,0,0,0,0,0|2,0,0]=4 727 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [2,0,0,0,0,0|2,0,0]=4 728 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [2,0,0,0,0,0|2,0,0]=4 729 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [2,0,0,0,0,0|2,0,0]=4 730 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [2,0,0,0,0,0|2,0,0]=4 731 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [2,0,0,0,0,0|2,0,0]=4 732 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [2,0,0,0,0,0|2,0,0]=4 733 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [2,0,0,0,0,0|2,0,0]=4 734 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [2,0,0,0,0,0|2,0,0]=4 735 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [2,0,0,0,0,0|2,0,0]=4 736 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [2,0,0,0,0,0|2,0,0]=4 737 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [2,0,0,0,0,0|2,0,0]=4 738 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [2,0,0,0,0,0|2,0,0]=4 739 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [2,0,0,0,0,0|2,0,0]=4 740 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [2,0,0,0,0,0|2,0,0]=4 741 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [2,0,0,0,0,0|2,0,0]=4 742 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [2,0,0,0,0,0|2,0,0]=4 743 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [2,0,0,0,0,0|2,0,0]=4 744 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [2,0,0,0,0,0|2,0,0]=4 745 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [2,0,0,0,0,0|2,0,0]=4 746 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [2,0,0,0,0,0|2,0,0]=4 747 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [2,0,0,0,0,0|2,0,0]=4 748 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [2,0,0,0,0,0|2,0,0]=4 749 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [2,0,0,0,0,0|2,0,0]=4 750 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [2,0,0,0,0,0|2,0,0]=4 751 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [2,0,0,0,0,0|1,0,0]=3 752 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [2,0,0,0,0,0|1,0,0]=3 753 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [2,0,0,0,0,0|1,0,1]=4 754 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [2,0,0,0,0,0|1,0,1]=4 755 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [2,0,0,0,0,0|1,0,1]=4 756 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [2,0,0,0,0,0|1,0,1]=4 757 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [2,0,0,0,0,0|1,0,0]=3 758 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [2,0,0,0,0,0|1,0,0]=3 759 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [2,0,0,0,0,0|1,0,1]=4 760 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [2,0,0,0,0,0|1,0,1]=4 761 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [2,0,0,0,0,0|1,0,0]=3 762 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [2,0,0,0,0,0|1,0,1]=4 763 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [2,0,0,0,0,0|1,0,1]=4 764 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [2,0,0,0,0,0|1,0,1]=4 765 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [2,0,0,0,0,0|1,0,1]=4 766 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [2,0,0,0,0,0|1,0,1]=4 767 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [2,0,0,0,0,0|1,0,1]=4 768 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [2,0,0,0,0,0|1,0,0]=3 769 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [2,0,0,0,0,0|1,0,1]=4 770 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [2,0,0,0,0,0|1,0,1]=4 771 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [2,0,0,0,0,0|1,0,1]=4 772 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [2,0,0,0,0,0|1,0,1]=4 773 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [2,0,0,0,0,0|1,0,0]=3 774 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [2,0,0,0,0,0|1,0,1]=4 775 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [2,0,0,0,0,0|1,0,1]=4 776 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [2,0,0,0,0,0|1,0,0]=3 777 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [2,0,0,0,0,0|1,0,1]=4 778 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [2,0,0,0,0,0|1,0,0]=3 779 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [2,0,0,0,0,0|1,0,1]=4 780 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [2,0,0,0,0,0|1,0,1]=4 781 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [2,0,0,0,0,0|1,0,1]=4 782 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [2,0,0,0,0,0|1,0,1]=4 783 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [2,0,0,0,0,0|1,0,0]=3 784 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [2,0,0,0,0,0|1,0,1]=4 785 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [2,0,0,0,0,0|1,0,1]=4 786 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [2,0,0,0,0,0|1,0,0]=3 787 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [2,0,0,0,0,0|1,0,0]=3 788 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [2,0,0,0,0,0|1,0,1]=4 789 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [2,0,0,0,0,0|1,0,1]=4 790 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [2,0,0,0,0,0|1,0,0]=3 791 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [2,0,0,0,0,0|1,0,1]=4 792 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [2,0,0,0,0,0|1,0,1]=4 793 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [2,0,0,0,0,0|1,0,1]=4 794 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [2,0,0,0,0,0|1,0,0]=3 795 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [2,0,0,0,0,0|1,0,1]=4 796 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [2,0,0,0,0,0|1,0,1]=4 797 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [2,0,0,0,0,0|1,0,0]=3 798 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [2,0,0,0,0,0|1,0,0]=3 799 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [2,0,0,0,0,0|1,0,1]=4 800 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [2,0,0,0,0,0|1,0,1]=4 801 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [2,0,0,0,0,0|1,0,1]=4 802 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [2,0,0,0,0,0|1,0,1]=4 803 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [2,0,0,0,0,0|1,0,1]=4 804 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [2,0,0,0,0,0|1,0,1]=4 805 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [2,0,0,0,0,0|1,0,1]=4 806 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [2,0,0,0,0,0|2,0,0]=4 807 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [2,0,0,0,0,0|1,0,1]=4 808 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [2,0,0,0,0,0|1,0,1]=4 809 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [2,0,0,0,0,0|1,0,1]=4 810 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [2,0,0,0,0,0|1,0,1]=4 811 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [2,0,0,0,0,0|1,0,1]=4 812 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [2,0,0,0,0,0|1,0,1]=4 813 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [2,0,0,0,0,0|1,0,1]=4 814 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [2,0,0,0,0,0|2,0,0]=4 815 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [2,0,0,0,0,0|1,0,1]=4 816 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [2,0,0,0,0,0|1,0,1]=4 817 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [2,0,0,0,0,0|1,0,1]=4 818 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [2,0,0,0,0,0|1,0,1]=4 819 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [2,0,0,0,0,0|1,0,1]=4 820 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [2,0,0,0,0,0|1,0,1]=4 821 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 822 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 823 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [2,0,0,0,0,0|2,0,0]=4 824 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [2,0,0,0,0,0|2,0,0]=4 825 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [2,0,0,0,0,0|2,0,0]=4 826 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [2,0,0,0,0,0|2,0,0]=4 827 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [2,0,0,0,0,0|2,0,0]=4 828 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [2,0,0,0,0,0|2,0,0]=4 829 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [2,0,0,0,0,0|1,0,1]=4 830 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [2,0,0,0,0,0|1,0,1]=4 831 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [2,0,0,0,0,0|2,0,0]=4 832 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [2,0,0,0,0,0|2,0,0]=4 833 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 834 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 835 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [2,0,0,0,0,0|1,0,1]=4 836 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [2,0,0,0,0,0|2,0,0]=4 837 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [2,0,0,0,0,0|1,0,1]=4 838 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [2,0,0,0,0,0|1,0,1]=4 839 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [2,0,0,0,0,0|1,0,1]=4 840 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [2,0,0,0,0,0|1,0,1]=4 841 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [2,0,0,0,0,0|1,0,1]=4 842 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [2,0,0,0,0,0|1,0,1]=4 843 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [2,0,0,0,0,0|1,0,1]=4 844 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [2,0,0,0,0,0|1,0,1]=4 845 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [2,0,0,0,0,0|1,0,1]=4 846 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [2,0,0,0,0,0|1,0,1]=4 847 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [2,0,0,0,0,0|1,0,1]=4 848 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [2,0,0,0,0,0|2,0,0]=4 849 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [2,0,0,0,0,0|2,0,0]=4 850 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [2,0,0,0,0,0|2,0,0]=4 851 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [2,0,0,0,0,0|2,0,0]=4 852 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [2,0,0,0,0,0|1,0,1]=4 853 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 854 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [2,0,0,0,0,0|2,0,0]=4 855 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [2,0,0,0,0,0|2,0,0]=4 856 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 857 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [2,0,0,0,0,0|2,0,0]=4 858 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [2,0,0,0,0,0|2,0,0]=4 859 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [2,0,0,0,0,0|2,0,0]=4 860 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [2,0,0,0,0,0|2,0,0]=4 861 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 862 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [2,0,0,0,0,0|2,0,0]=4 863 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 864 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [2,0,0,0,0,0|2,0,0]=4 865 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 866 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [2,0,0,0,0,0|2,0,0]=4 867 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [2,0,0,0,0,0|2,0,0]=4 868 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 869 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 870 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [2,0,0,0,0,0|2,0,0]=4 871 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [2,0,0,0,0,0|2,0,0]=4 872 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 873 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [2,0,0,0,0,0|2,0,0]=4 874 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 875 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [2,0,0,0,0,0|2,0,0]=4 876 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [2,0,0,0,0,0|2,0,0]=4 877 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 878 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [2,0,0,0,0,0|2,0,0]=4 879 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [2,0,0,0,0,0|1,0,1]=4 880 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [2,0,0,0,0,0|1,0,1]=4 881 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [2,0,0,0,0,0|1,0,1]=4 882 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [2,0,0,0,0,0|1,0,1]=4 883 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [2,0,0,0,0,0|1,0,1]=4 884 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [2,0,0,0,0,0|1,0,1]=4 885 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [2,0,0,0,0,0|1,0,1]=4 886 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [2,0,0,0,0,0|1,0,1]=4 887 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [2,0,0,0,0,0|0,0,2]=4 888 B14R0.337 CCCCCCCCCCNC(C)CO 2230a_100000684558_100012180447 [2,0,0,0,0,0|2,0,0]=4 889 B14R0.337 CCCCCCCCCCNC(C)CO 34a_100000684558_100012180447 [2,0,0,0,0,0|2,0,0]=4 890 B14R0.337 CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210320 [2,0,0,0,0,0|2,0,0]=4 891 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [2,0,0,0,0,0|2,0,0]=4 892 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [2,0,0,0,0,0|2,0,0]=4 893 B14R0.337 CCCCCCCCCCSC(C)CO 62a_100012180447_100000210320 [2,0,0,0,0,0|2,0,0]=4 894 B14R0.337 CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210320 [2,0,0,0,0,0|2,0,0]=4 895 B14R0.337 CCCCCCCCCNCC(C)CO 34a_100000744482_100011214924 [2,0,0,0,0,0|2,0,0]=4 896 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100000212291_100011218378 [2,0,0,0,0,0|1,0,1]=4 897 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100011218483_100011214924 [2,0,0,0,0,0|1,0,1]=4 898 B14R0.337 CCCCCCCCCNCC(O)CC 34a_100000212291_100011218378 [2,0,0,0,0,0|1,0,1]=4 899 B14R0.337 CCCCCCCCCNCC(O)CO 2230a_100000212291_100011219619 [2,0,0,0,0,0|1,0,0]=3 900 B14R0.337 CCCCCCCCCNCC(O)CO 34a_100000212291_100011219619 [2,0,0,0,0,0|1,0,0]=3 901 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 2230a_100000212291_100000059175 [2,0,0,0,0,0|2,0,0]=4 902 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 34a_100000212291_100000059175 [2,0,0,0,0,0|2,0,0]=4 903 B14R0.337 CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011214924 [2,0,0,0,0,0|2,0,0]=4 904 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 2230a_100000212291_100015614560 [2,0,0,0,0,0|2,0,0]=4 905 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 34a_100000212291_100015614560 [2,0,0,0,0,0|2,0,0]=4 906 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 2230a_100000212291_100009815848 [2,0,0,0,0,0|1,0,0]=3 907 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 34a_100000212291_100009815848 [2,0,0,0,0,0|1,0,0]=3 908 B14R0.337 CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011214924 [2,0,0,0,0,0|1,0,0]=3 909 B14R0.337 CCCCCCCCCOCC(O)CC 34a_100000210712_100011218378 [2,0,0,0,0,0|1,0,1]=4 910 B14R0.337 CCCCCCCCCOCC(O)CC 7a_100000210712_100011218378 [2,0,0,0,0,0|1,0,1]=4 911 B14R0.337 CCCCCCCCCOCC(O)CO 34a_100000210712_100011219619 [2,0,0,0,0,0|1,0,0]=3 912 B14R0.337 CCCCCCCCCOCC(O)CO 7a_100000210712_100011219619 [2,0,0,0,0,0|1,0,0]=3 913 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 34a_100000210712_100000059175 [2,0,0,0,0,0|2,0,0]=4 914 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 7a_100000210712_100000059175 [2,0,0,0,0,0|2,0,0]=4 915 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 34a_100000210712_100015614560 [2,0,0,0,0,0|2,0,0]=4 916 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 7a_100000210712_100015614560 [2,0,0,0,0,0|2,0,0]=4 917 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 34a_100000210712_100009815848 [2,0,0,0,0,0|1,0,0]=3 918 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 7a_100000210712_100009815848 [2,0,0,0,0,0|1,0,0]=3 919 B14R0.337 CCCCCCCCCSCC(O)CC 62a_100011218378_100000210670 [2,0,0,0,0,0|1,0,1]=4 920 B14R0.337 CCCCCCCCCSCC(O)CO 62a_100011219619_100000210670 [2,0,0,0,0,0|1,0,0]=3 921 B14R0.337 CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210670 [2,0,0,0,0,0|2,0,0]=4 922 B14R0.337 CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210670 [2,0,0,0,0,0|2,0,0]=4 923 B14R0.337 CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210670 [2,0,0,0,0,0|1,0,0]=3 924 B14R0.337 CCCCCCCCNCCC(C)CO 2230a_106354213184_100000210759 [2,0,0,0,0,0|2,0,0]=4 925 B14R0.337 CCCCCCCCNCCC(C)CO 34a_106354213184_100000210759 [2,0,0,0,0,0|2,0,0]=4 926 B14R0.337 CCCCCCOCCOCC(O)CO 34a_100000691444_100011219619 [2,0,0,0,0,0|2,0,0]=4 927 B14R0.337 CCCCCCOCCOCC(O)CO 7a_100000691444_100011219619 [2,0,0,0,0,0|2,0,0]=4 928 B14R0.337 CCCCCCOCCOC[C@@H](O)CO 34a_100000691444_100009815848 [2,0,0,0,0,0|2,0,0]=4 929 B14R0.337 CCCCCCOCCOC[C@@H](O)CO 7a_100000691444_100009815848 [2,0,0,0,0,0|2,0,0]=4 930 B14R0.337 CCCCNCCCCOCC(O)CO 34a_200011216965_100011219619 [2,0,0,0,0,0|2,0,0]=4 931 B14R0.337 CCCCNCCCCOC[C@@H](O)CO 34a_200011216965_100009815848 [2,0,0,0,0,0|2,0,0]=4 932 B14R0.337 CCCCOCCCCOCC(O)CO 34a_200000760531_100011219619 [2,0,0,0,0,0|2,0,0]=4 933 B14R0.337 CCCCOCCCCOCC(O)CO 7a_200000760531_100011219619 [2,0,0,0,0,0|2,0,0]=4 934 B14R0.337 CCCCOCCCCOC[C@@H](O)CO 34a_200000760531_100009815848 [2,0,0,0,0,0|2,0,0]=4 935 B14R0.337 CCCCOCCCCOC[C@@H](O)CO 7a_200000760531_100009815848 [2,0,0,0,0,0|2,0,0]=4 936 B14R0.337 NCCCCCCCCOCC(O)CO 34a_102515433106_100011219619 [2,0,0,0,0,0|2,0,0]=4 937 B14R0.337 NCCCCCCCCOC[C@@H](O)CO 34a_102515433106_100009815848 [2,0,0,0,0,0|2,0,0]=4 938 B14R0.337 OCC(O)COCCCCCCCCBr 34a_100009813846_100011219619 [2,0,0,0,0,0|2,0,0]=4 939 B14R0.337 OCC(O)COCCCCCCCCBr 7a_100009813846_100011219619 [2,0,0,0,0,0|2,0,0]=4 940 B14R0.337 OCC(O)COCCCCCCCCCl 34a_100000033203_100011219619 [2,0,0,0,0,0|2,0,0]=4 941 B14R0.337 OCC(O)COCCCCCCCCCl 7a_100000033203_100011219619 [2,0,0,0,0,0|2,0,0]=4 942 B14R0.337 OCCCCCCCCNCC(O)CO 2230a_102515433106_100011219619 [2,0,0,0,0,0|2,0,0]=4 943 B14R0.337 OCCCCCCCCNCC(O)CO 34a_102515433106_100011219619 [2,0,0,0,0,0|2,0,0]=4 944 B14R0.337 OCCCCCCCCNC[C@@H](O)CO 2230a_102515433106_100009815848 [2,0,0,0,0,0|2,0,0]=4 945 B14R0.337 OCCCCCCCCNC[C@@H](O)CO 34a_102515433106_100009815848 [2,0,0,0,0,0|2,0,0]=4 946 B14R0.337 OCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000033203 [2,0,0,0,0,0|2,0,0]=4 947 B14R0.337 OCCCCCCCCSCC(O)CO 62a_100000033203_100011219619 [2,0,0,0,0,0|2,0,0]=4 948 B14R0.337 OCCCCCCCCSCC(O)CO 62a_100011219619_100000033203 [2,0,0,0,0,0|2,0,0]=4 949 B14R0.337 OCCCCCCCCSC[C@@H](O)CO 62a_100000033203_100009815848 [2,0,0,0,0,0|2,0,0]=4 950 B14R0.337 OCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000033203 [2,0,0,0,0,0|2,0,0]=4 951 B14R0.337 OC[C@H](O)COCCCCCCCCBr 34a_100009813846_100009815848 [2,0,0,0,0,0|2,0,0]=4 952 B14R0.337 OC[C@H](O)COCCCCCCCCBr 7a_100009813846_100009815848 [2,0,0,0,0,0|2,0,0]=4 953 B14R0.337 OC[C@H](O)COCCCCCCCCCl 34a_100000033203_100009815848 [2,0,0,0,0,0|2,0,0]=4 954 B14R0.337 OC[C@H](O)COCCCCCCCCCl 7a_100000033203_100009815848 [2,0,0,0,0,0|2,0,0]=4 955 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210320 [1,1,0,0,0,0|2,0,0]=4 956 B16R0.110 CCCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218727 [1,1,0,0,0,0|1,0,0]=3 957 B16R0.657 CCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210320 [1,1,0,0,0,0|2,0,0]=4 958 B16R0.657 CCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210320 [1,1,0,0,0,0|1,0,1]=4 959 B16R0.657 CCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210670 [1,1,0,0,0,0|2,0,0]=4 960 B16R0.657 CCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210670 [1,1,0,0,0,0|1,0,0]=3 961 B16R0.657 O=C(O)C[C@@H](CO)NCCCCCCCCO 269956a_100009816507_100000033203 [1,1,0,0,0,0|2,0,0]=4 962 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210375_100000747449 [1,1,0,0,0,0|0,0,2]=4 963 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210319 [1,1,0,0,0,0|0,0,2]=4 964 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210320 [1,1,0,0,0,0|2,0,0]=4 965 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000207566_100000747449 [1,1,0,0,0,0|2,0,0]=4 966 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 269982a_100000207566_100000747449 [1,1,0,0,0,0|2,0,0]=4 967 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 2230a_100000212291_100009817358 [1,1,0,0,0,0|2,0,0]=4 968 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 34a_100000212291_100009817358 [1,1,0,0,0,0|2,0,0]=4 969 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 34a_100000210712_100009817358 [1,1,0,0,0,0|2,0,0]=4 970 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 7a_100000210712_100009817358 [1,1,0,0,0,0|2,0,0]=4 971 B16R0.1182 CCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210670 [1,1,0,0,0,0|2,0,0]=4 972 B16R0.1182 CCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000229939_100000754131 [1,1,0,0,0,0|1,0,0]=3 973 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210232_100000754131 [1,1,0,0,0,0|1,0,0]=3 974 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210232_100000754131 [1,1,0,0,0,0|1,0,0]=3 975 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210759_100000754131 [1,1,0,0,0,0|1,0,0]=3 976 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210317 [1,1,0,0,0,0|1,0,0]=3 977 B16R0.1182 CCCCCNCCOC[C@H](O)CC(=O)OC 34a_100000224656_100000754131 [1,1,0,0,0,0|2,0,0]=4 978 B16R0.1182 CCCCCOCCOC[C@H](O)CC(=O)OC 34a_100011215259_100000754131 [1,1,0,0,0,0|2,0,0]=4 979 B16R0.1182 CCCCCOCCOC[C@H](O)CC(=O)OC 7a_100011215259_100000754131 [1,1,0,0,0,0|2,0,0]=4 980 B16R0.1182 CCCCOCCCNC[C@H](O)CC(=O)OC 34a_200000211371_100000754131 [1,1,0,0,0,0|2,0,0]=4 981 B16R0.1182 CCCCOCCCOC[C@H](O)CC(=O)OC 34a_200011215613_100000754131 [1,1,0,0,0,0|2,0,0]=4 982 B16R0.1182 CCCCOCCCOC[C@H](O)CC(=O)OC 7a_200011215613_100000754131 [1,1,0,0,0,0|2,0,0]=4 983 B16R0.1182 COC(=O)C[C@@H](O)CNCCCCCCCO 34a_100011996573_100000754131 [1,1,0,0,0,0|2,0,0]=4 984 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 34a_100000760002_100000754131 [1,1,0,0,0,0|2,0,0]=4 985 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 7a_100000760002_100000754131 [1,1,0,0,0,0|2,0,0]=4 986 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCN 34a_100011996573_100000754131 [1,1,0,0,0,0|2,0,0]=4 987 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000754131_100000760002 [1,1,0,0,0,0|2,0,0]=4 988 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000760002_100000754131 [1,1,0,0,0,0|2,0,0]=4 989 B16R0.1182 COCCCCCCOC[C@H](O)CC(=O)OC 34a_200012092642_100000754131 [1,1,0,0,0,0|2,0,0]=4 990 B16R0.1182 COCCCCCCOC[C@H](O)CC(=O)OC 7a_200012092642_100000754131 [1,1,0,0,0,0|2,0,0]=4 991 B16R0.1182 COCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011998445 [1,1,0,0,0,0|2,0,0]=4 992 B16R0.1182 COCCCCCCSC[C@H](O)CC(=O)OC 62a_100011998445_100000754131 [1,1,0,0,0,0|2,0,0]=4 993 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210670 [1,1,0,0,0,0|2,0,0]=4 994 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [1,1,0,0,0,0|2,0,0]=4 995 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [1,1,0,0,0,0|2,0,0]=4 996 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [1,1,0,0,0,0|1,0,1]=4 997 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [1,1,0,0,0,0|2,0,0]=4 998 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [1,1,0,0,0,0|2,0,0]=4 999 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [1,1,0,0,0,0|2,0,0]=4 1000 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [1,1,0,0,0,0|2,0,0]=4 1001 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [1,1,0,0,0,0|2,0,0]=4 1002 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [1,1,0,0,0,0|2,0,0]=4 1003 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [1,1,0,0,0,0|2,0,0]=4 1004 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [1,1,0,0,0,0|2,0,0]=4 1005 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [1,1,0,0,0,0|2,0,0]=4 1006 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [1,1,0,0,0,0|2,0,0]=4 1007 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [1,1,0,0,0,0|2,0,0]=4 1008 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [1,1,0,0,0,0|2,0,0]=4 1009 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [1,1,0,0,0,0|2,0,0]=4 1010 B16R0.165 CCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210414_200010167045 [1,1,0,0,0,0|1,0,1]=4 1011 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [1,1,0,0,0,0|2,0,0]=4 1012 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 2230a_100000225621_200010167045 [1,1,0,0,0,0|2,0,0]=4 1013 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 269982a_100000225621_200010167045 [1,1,0,0,0,0|2,0,0]=4 1014 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [1,1,0,0,0,0|2,0,0]=4 1015 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [1,1,0,0,0,0|2,0,0]=4 1016 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [1,1,0,0,0,0|2,0,0]=4 1017 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [1,1,0,0,0,0|2,0,0]=4 1018 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [1,1,0,0,0,0|2,0,0]=4 1019 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [1,1,0,0,0,0|2,0,0]=4 1020 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [1,1,0,0,0,0|2,0,0]=4 1021 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [1,1,0,0,0,0|2,0,0]=4 1022 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [1,1,0,0,0,0|2,0,0]=4 1023 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [1,1,0,0,0,0|2,0,0]=4 1024 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [1,1,0,0,0,0|1,0,1]=4 1025 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [1,1,0,0,0,0|2,0,0]=4 1026 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [1,1,0,0,0,0|2,0,0]=4 1027 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [1,1,0,0,0,0|1,0,0]=3 1028 B16R0.221 C#CC(=O)CCCCCCCCCCCCO 1458a_100000211873_100009813331 [1,1,0,0,0,0|2,0,0]=4 1029 B16R0.221 C=CC(=O)CCCCCCCCCCCCO 1458a_100000185746_100009813331 [1,1,0,0,0,0|2,0,0]=4 1030 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185746 [1,1,0,0,0,0|2,0,0]=4 1031 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_200121576911 [1,1,0,0,0,0|2,0,0]=4 1032 B16R0.221 C=CCCCCCCCCCCCC(=O)CO 1458a_100000210174_102130925996 [1,1,0,0,0,0|0,0,2]=4 1033 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [1,1,0,0,0,0|2,0,0]=4 1034 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [1,1,0,0,0,0|0,0,0]=2 1035 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [1,1,0,0,0,0|1,0,0]=3 1036 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [1,1,0,0,0,0|1,0,0]=3 1037 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [1,1,0,0,0,0|1,0,0]=3 1038 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [1,1,0,0,0,0|2,0,0]=4 1039 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [1,1,0,0,0,0|2,0,0]=4 1040 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [1,1,0,0,0,0|2,0,0]=4 1041 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [1,1,0,0,0,0|2,0,0]=4 1042 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [1,1,0,0,0,0|1,0,0]=3 1043 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [1,1,0,0,0,0|1,0,0]=3 1044 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100000210451_106832991635 [1,1,0,0,0,0|2,0,0]=4 1045 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100000210451 [1,1,0,0,0,0|2,0,0]=4 1046 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100000210451_100102657272 [1,1,0,0,0,0|2,0,0]=4 1047 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100000210451 [1,1,0,0,0,0|2,0,0]=4 1048 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_100000210451_100102657272 [1,1,0,0,0,0|2,0,0]=4 1049 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_106832991638_100000210451 [1,1,0,0,0,0|2,0,0]=4 1050 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215454 [1,1,0,0,0,0|2,0,0]=4 1051 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_200011215754_100000183359 [1,1,0,0,0,0|2,0,0]=4 1052 B16R0.221 CCCCCCCCCCCNCC(=O)NC 34a_200011215754_100000183359 [1,1,0,0,0,0|2,0,0]=4 1053 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [1,1,0,0,0,0|1,0,0]=3 1054 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [1,1,0,0,0,0|1,0,0]=3 1055 B16R0.221 CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011215454 [1,1,0,0,0,0|2,0,0]=4 1056 B16R0.221 CCCCCCCCCCCOCC(=O)CC 7a_100000210809_100000747405 [1,1,0,0,0,0|2,0,0]=4 1057 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000210809_100000183359 [1,1,0,0,0,0|2,0,0]=4 1058 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000750040_100011215454 [1,1,0,0,0,0|2,0,0]=4 1059 B16R0.221 CCCCCCCCCCCOCC(=O)NC 7a_100000210809_100000183359 [1,1,0,0,0,0|2,0,0]=4 1060 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [1,1,0,0,0,0|1,0,0]=3 1061 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [1,1,0,0,0,0|1,0,0]=3 1062 B16R0.221 CCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011215454 [1,1,0,0,0,0|2,0,0]=4 1063 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [1,1,0,0,0,0|1,0,0]=3 1064 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [1,1,0,0,0,0|2,0,0]=4 1065 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [1,1,0,0,0,0|2,0,0]=4 1066 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [1,1,0,0,0,0|2,0,0]=4 1067 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [1,1,0,0,0,0|2,0,0]=4 1068 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [1,1,0,0,0,0|1,0,0]=3 1069 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [1,1,0,0,0,0|1,0,0]=3 1070 B16R0.221 CCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000210320 [1,1,0,0,0,0|2,0,0]=4 1071 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [1,1,0,0,0,0|2,0,0]=4 1072 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [1,1,0,0,0,0|2,0,0]=4 1073 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [1,1,0,0,0,0|2,0,0]=4 1074 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [1,1,0,0,0,0|1,0,0]=3 1075 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [1,1,0,0,0,0|1,0,0]=3 1076 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [1,1,0,0,0,0|2,0,0]=4 1077 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [1,1,0,0,0,0|1,0,0]=3 1078 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [1,1,0,0,0,0|2,0,0]=4 1079 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [1,1,0,0,0,0|2,0,0]=4 1080 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [1,1,0,0,0,0|2,0,0]=4 1081 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [1,1,0,0,0,0|2,0,0]=4 1082 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [1,1,0,0,0,0|1,0,0]=3 1083 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [1,1,0,0,0,0|1,0,0]=3 1084 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [1,1,0,0,0,0|2,0,0]=4 1085 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [1,1,0,0,0,0|2,0,0]=4 1086 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [1,1,0,0,0,0|2,0,0]=4 1087 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [1,1,0,0,0,0|1,0,0]=3 1088 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [1,1,0,0,0,0|1,0,0]=3 1089 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [1,1,0,0,0,0|2,0,0]=4 1090 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [1,1,0,0,0,0|2,0,0]=4 1091 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [1,1,0,0,0,0|2,0,0]=4 1092 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [1,1,0,0,0,0|1,0,0]=3 1093 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [1,1,0,0,0,0|1,0,0]=3 1094 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [1,1,0,0,0,0|1,0,0]=3 1095 B16R0.221 CCCCCCCCNCCOCC(=O)OC 2230a_100000229939_100000090808 [1,1,0,0,0,0|2,0,0]=4 1096 B16R0.221 CCCCCCCCNCCOCC(=O)OC 34a_100000229939_100000090808 [1,1,0,0,0,0|2,0,0]=4 1097 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [1,1,0,0,0,0|1,0,0]=3 1098 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [1,1,0,0,0,0|1,0,0]=3 1099 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [1,1,0,0,0,0|1,0,0]=3 1100 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [1,1,0,0,0,0|1,0,0]=3 1101 B16R0.221 CCCCCCCCOCCOCC(=O)OC 34a_100000210232_100000090808 [1,1,0,0,0,0|2,0,0]=4 1102 B16R0.221 CCCCCCCCOCCOCC(=O)OC 7a_100000210232_100000090808 [1,1,0,0,0,0|2,0,0]=4 1103 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [1,1,0,0,0,0|1,0,0]=3 1104 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [1,1,0,0,0,0|1,0,0]=3 1105 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210317 [1,1,0,0,0,0|2,0,0]=4 1106 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000210759_100000090808 [1,1,0,0,0,0|2,0,0]=4 1107 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [1,1,0,0,0,0|1,0,0]=3 1108 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [1,1,0,0,0,0|1,0,0]=3 1109 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [1,1,0,0,0,0|1,0,0]=3 1110 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [1,1,0,0,0,0|1,0,0]=3 1111 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [1,1,0,0,0,0|1,0,0]=3 1112 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [1,1,0,0,0,0|1,0,0]=3 1113 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [1,1,0,0,0,0|1,0,0]=3 1114 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [1,1,0,0,0,0|1,0,0]=3 1115 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [1,1,0,0,0,0|1,0,0]=3 1116 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [1,1,0,0,0,0|1,0,0]=3 1117 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [1,1,0,0,0,0|1,0,0]=3 1118 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [1,1,0,0,0,0|1,0,0]=3 1119 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [1,1,0,0,0,0|2,0,0]=4 1120 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [1,1,0,0,0,0|2,0,0]=4 1121 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [1,1,0,0,0,0|1,0,0]=3 1122 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [1,1,0,0,0,0|1,0,0]=3 1123 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [1,1,0,0,0,0|1,0,0]=3 1124 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [1,1,0,0,0,0|2,0,0]=4 1125 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [1,1,0,0,0,0|1,0,0]=3 1126 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [1,1,0,0,0,0|1,0,0]=3 1127 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [1,1,0,0,0,0|1,0,0]=3 1128 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [1,1,0,0,0,0|1,0,0]=3 1129 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [1,1,0,0,0,0|2,0,0]=4 1130 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [1,1,0,0,0,0|2,0,0]=4 1131 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [1,1,0,0,0,0|1,0,0]=3 1132 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [1,1,0,0,0,0|1,0,0]=3 1133 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [1,1,0,0,0,0|1,0,0]=3 1134 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [1,1,0,0,0,0|1,0,0]=3 1135 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [1,1,0,0,0,0|2,0,0]=4 1136 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [1,1,0,0,0,0|1,0,0]=3 1137 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [1,1,0,0,0,0|1,0,0]=3 1138 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [1,1,0,0,0,0|1,0,0]=3 1139 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [1,1,0,0,0,0|1,0,0]=3 1140 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [1,1,0,0,0,0|2,0,0]=4 1141 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [1,1,0,0,0,0|2,0,0]=4 1142 B16R0.221 CCCCOCCCNCCCCC(=O)OC 2230a_200000211371_100000204269 [1,1,0,0,0,0|2,0,0]=4 1143 B16R0.221 CCCCOCCCNCCCCC(=O)OC 34a_200000211371_100000204269 [1,1,0,0,0,0|2,0,0]=4 1144 B16R0.221 CCCCOCCCOCCCCC(=O)OC 34a_200011215613_100000204269 [1,1,0,0,0,0|2,0,0]=4 1145 B16R0.221 CCCCOCCCOCCCCC(=O)OC 7a_200011215613_100000204269 [1,1,0,0,0,0|2,0,0]=4 1146 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000074720_100000743108 [1,1,0,0,0,0|2,0,0]=4 1147 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000210238_100009816466 [1,1,0,0,0,0|2,0,0]=4 1148 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000074720_100000743108 [1,1,0,0,0,0|2,0,0]=4 1149 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000210238_100009816466 [1,1,0,0,0,0|2,0,0]=4 1150 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100000743108_100009816466 [1,1,0,0,0,0|2,0,0]=4 1151 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100009816466_100000743108 [1,1,0,0,0,0|2,0,0]=4 1152 B16R0.221 CCCCOCOCCCCCCC(=O)OC 34a_100009863599_100011995733 [1,1,0,0,0,0|2,0,0]=4 1153 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100009815986_100011995733 [1,1,0,0,0,0|2,0,0]=4 1154 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100011995733_100009815986 [1,1,0,0,0,0|2,0,0]=4 1155 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [1,1,0,0,0,0|1,0,0]=3 1156 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [1,1,0,0,0,0|1,0,0]=3 1157 B16R0.221 CCCCSCCNCCCCCC(=O)OC 2230a_100025743550_100009816466 [1,1,0,0,0,0|2,0,0]=4 1158 B16R0.221 CCCCSCCOCCCCCC(=O)OC 34a_200000230436_100009816466 [1,1,0,0,0,0|2,0,0]=4 1159 B16R0.221 CCCCSCCOCCCCCC(=O)OC 7a_200000230436_100009816466 [1,1,0,0,0,0|2,0,0]=4 1160 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [1,1,0,0,0,0|1,0,0]=3 1161 B16R0.221 CCCOCCCNCCCCCC(=O)OC 2230a_100011217757_100009816466 [1,1,0,0,0,0|2,0,0]=4 1162 B16R0.221 CCCOCCCNCCCCCC(=O)OC 34a_100011217757_100009816466 [1,1,0,0,0,0|2,0,0]=4 1163 B16R0.221 CCCOCCNCCCCCCC(=O)OC 2230a_100161115042_100009815986 [1,1,0,0,0,0|2,0,0]=4 1164 B16R0.221 CCCOCCNCCCCCCC(=O)OC 34a_100161115042_100009815986 [1,1,0,0,0,0|2,0,0]=4 1165 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100000752267_100009815986 [1,1,0,0,0,0|2,0,0]=4 1166 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100009863599_100011215938 [1,1,0,0,0,0|2,0,0]=4 1167 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100000752267_100009815986 [1,1,0,0,0,0|2,0,0]=4 1168 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215938 [1,1,0,0,0,0|2,0,0]=4 1169 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215938 [1,1,0,0,0,0|2,0,0]=4 1170 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100011215938_100009815986 [1,1,0,0,0,0|2,0,0]=4 1171 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [1,1,0,0,0,0|1,0,0]=3 1172 B16R0.221 CCCSCCNCCCCCCC(=O)OC 2230a_100020603323_100009815986 [1,1,0,0,0,0|2,0,0]=4 1173 B16R0.221 CCCSCCOCCCCCCC(=O)OC 34a_200000230433_100009815986 [1,1,0,0,0,0|2,0,0]=4 1174 B16R0.221 CCCSCCOCCCCCCC(=O)OC 7a_200000230433_100009815986 [1,1,0,0,0,0|2,0,0]=4 1175 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [1,1,0,0,0,0|1,0,0]=3 1176 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [1,1,0,0,0,0|1,0,0]=3 1177 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [1,1,0,0,0,0|1,0,0]=3 1178 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [1,1,0,0,0,0|1,0,0]=3 1179 B16R0.221 CCOCCCNCCCCCCC(=O)OC 2230a_100000210961_100009815986 [1,1,0,0,0,0|2,0,0]=4 1180 B16R0.221 CCOCCCNCCCCCCC(=O)OC 34a_100000210961_100009815986 [1,1,0,0,0,0|2,0,0]=4 1181 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100000757476_100009815986 [1,1,0,0,0,0|2,0,0]=4 1182 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100009863599_100012232248 [1,1,0,0,0,0|2,0,0]=4 1183 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100000757476_100009815986 [1,1,0,0,0,0|2,0,0]=4 1184 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100009863599_100012232248 [1,1,0,0,0,0|2,0,0]=4 1185 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100009815986_100012232248 [1,1,0,0,0,0|2,0,0]=4 1186 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100012232248_100009815986 [1,1,0,0,0,0|2,0,0]=4 1187 B16R0.221 CCOCCNCCCCCCCC(=O)OC 2230a_102516460346_100010004213 [1,1,0,0,0,0|2,0,0]=4 1188 B16R0.221 CCOCCNCCCCCCCC(=O)OC 34a_102516460346_100010004213 [1,1,0,0,0,0|2,0,0]=4 1189 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100000210136_100010004213 [1,1,0,0,0,0|2,0,0]=4 1190 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000210147 [1,1,0,0,0,0|2,0,0]=4 1191 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100000210136_100010004213 [1,1,0,0,0,0|2,0,0]=4 1192 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215890 [1,1,0,0,0,0|2,0,0]=4 1193 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100000210147_100010004213 [1,1,0,0,0,0|2,0,0]=4 1194 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215890 [1,1,0,0,0,0|2,0,0]=4 1195 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100000739092_100010282707 [1,1,0,0,0,0|2,0,0]=4 1196 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100010282707_100000739092 [1,1,0,0,0,0|2,0,0]=4 1197 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [1,1,0,0,0,0|1,0,0]=3 1198 B16R0.221 CCSCCCOCCCCCCC(=O)OC 34a_100011216438_100009815986 [1,1,0,0,0,0|2,0,0]=4 1199 B16R0.221 CCSCCCOCCCCCCC(=O)OC 7a_100011216438_100009815986 [1,1,0,0,0,0|2,0,0]=4 1200 B16R0.221 CCSCCNCCCCCCCC(=O)OC 2230a_100000106463_100010004213 [1,1,0,0,0,0|2,0,0]=4 1201 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100000212035_100010004213 [1,1,0,0,0,0|2,0,0]=4 1202 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100011022521_100000757381 [1,1,0,0,0,0|2,0,0]=4 1203 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100000212035_100010004213 [1,1,0,0,0,0|2,0,0]=4 1204 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100011022521_100000757381 [1,1,0,0,0,0|2,0,0]=4 1205 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100000757381_100010004213 [1,1,0,0,0,0|2,0,0]=4 1206 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100010004213_100000757381 [1,1,0,0,0,0|2,0,0]=4 1207 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [1,1,0,0,0,0|2,0,0]=4 1208 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [1,1,0,0,0,0|1,0,0]=3 1209 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [1,1,0,0,0,0|1,0,0]=3 1210 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [1,1,0,0,0,0|1,0,0]=3 1211 B16R0.221 CNCCCCCOCCCCCC(=O)OC 34a_100000722520_100009816466 [1,1,0,0,0,0|2,0,0]=4 1212 B16R0.221 CNCCCOCCCCCCCC(=O)OC 34a_100000213112_100010004213 [1,1,0,0,0,0|2,0,0]=4 1213 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [1,1,0,0,0,0|1,0,0]=3 1214 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [1,1,0,0,0,0|1,0,0]=3 1215 B16R0.221 COC(=O)CCCCCCCCCCOCF 34a_100011003013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1216 B16R0.221 COC(=O)CCCCCCCCCCOCF 7a_100011003013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1217 B16R0.221 COC(=O)CCCCCCCCCCSCF 62a_100015361967_100009812566 [1,1,0,0,0,0|2,0,0]=4 1218 B16R0.221 COC(=O)CCCCCCCCCNCCF 34a_100000724931_100009813843 [1,1,0,0,0,0|2,0,0]=4 1219 B16R0.221 COC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009813843 [1,1,0,0,0,0|2,0,0]=4 1220 B16R0.221 COC(=O)CCCCCCCCCNCCO 34a_100016990907_100009813843 [1,1,0,0,0,0|2,0,0]=4 1221 B16R0.221 COC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009813843 [1,1,0,0,0,0|2,0,0]=4 1222 B16R0.221 COC(=O)CCCCCCCCCOCCN 34a_100000210304_100009813843 [1,1,0,0,0,0|2,0,0]=4 1223 B16R0.221 COC(=O)CCCCCCCCCSCCF 62a_100011217306_100009813843 [1,1,0,0,0,0|2,0,0]=4 1224 B16R0.221 COC(=O)CCCCCCCCCSCCO 62a_100000211926_100009813843 [1,1,0,0,0,0|2,0,0]=4 1225 B16R0.221 COC(=O)CCCCCCCCCSCSC 62a_100011218213_100009813843 [1,1,0,0,0,0|2,0,0]=4 1226 B16R0.221 COC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010282707 [1,1,0,0,0,0|2,0,0]=4 1227 B16R0.221 COC(=O)CCCCCCCCNCCCF 34a_100015189416_100010282707 [1,1,0,0,0,0|2,0,0]=4 1228 B16R0.221 COC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010282707 [1,1,0,0,0,0|2,0,0]=4 1229 B16R0.221 COC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010282707 [1,1,0,0,0,0|2,0,0]=4 1230 B16R0.221 COC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010282707 [1,1,0,0,0,0|2,0,0]=4 1231 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000035544_100011934791 [1,1,0,0,0,0|2,0,0]=4 1232 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000759539_100010282707 [1,1,0,0,0,0|2,0,0]=4 1233 B16R0.221 COC(=O)CCCCCCCCOCCCF 7a_100000035544_100011934791 [1,1,0,0,0,0|2,0,0]=4 1234 B16R0.221 COC(=O)CCCCCCCCOCCCN 34a_100000182051_100010282707 [1,1,0,0,0,0|2,0,0]=4 1235 B16R0.221 COC(=O)CCCCCCCCOCCCO 34a_100000035544_100000230001 [1,1,0,0,0,0|2,0,0]=4 1236 B16R0.221 COC(=O)CCCCCCCCOCCCO 7a_100000035544_100011215043 [1,1,0,0,0,0|2,0,0]=4 1237 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000035544_100000212216 [1,1,0,0,0,0|2,0,0]=4 1238 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000230434_100010282707 [1,1,0,0,0,0|2,0,0]=4 1239 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000035544_100000212216 [1,1,0,0,0,0|2,0,0]=4 1240 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000230434_100010282707 [1,1,0,0,0,0|2,0,0]=4 1241 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100010282707_100011934791 [1,1,0,0,0,0|2,0,0]=4 1242 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100011934791_100010282707 [1,1,0,0,0,0|2,0,0]=4 1243 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100010282707_100011215043 [1,1,0,0,0,0|2,0,0]=4 1244 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100011215043_100010282707 [1,1,0,0,0,0|2,0,0]=4 1245 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100000212216_100010282707 [1,1,0,0,0,0|2,0,0]=4 1246 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100010282707_100000751147 [1,1,0,0,0,0|2,0,0]=4 1247 B16R0.221 COC(=O)CCCCCCCNCCCCO 2230a_100000750430_100010004213 [1,1,0,0,0,0|2,0,0]=4 1248 B16R0.221 COC(=O)CCCCCCCNCCCCO 34a_100000750430_100010004213 [1,1,0,0,0,0|2,0,0]=4 1249 B16R0.221 COC(=O)CCCCCCCNCCCSC 2230a_100000749238_100010004213 [1,1,0,0,0,0|2,0,0]=4 1250 B16R0.221 COC(=O)CCCCCCCOCCCCBr 34a_100011216708_100010004213 [1,1,0,0,0,0|2,0,0]=4 1251 B16R0.221 COC(=O)CCCCCCCOCCCCCl 34a_100000210776_100010004213 [1,1,0,0,0,0|2,0,0]=4 1252 B16R0.221 COC(=O)CCCCCCCOCCCCCl 7a_100000210776_100010004213 [1,1,0,0,0,0|2,0,0]=4 1253 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011022521_100000729493 [1,1,0,0,0,0|2,0,0]=4 1254 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011995726_100010004213 [1,1,0,0,0,0|2,0,0]=4 1255 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011022521_100000729493 [1,1,0,0,0,0|2,0,0]=4 1256 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011995726_100010004213 [1,1,0,0,0,0|2,0,0]=4 1257 B16R0.221 COC(=O)CCCCCCCOCCCCI 34a_200012148704_100010004213 [1,1,0,0,0,0|2,0,0]=4 1258 B16R0.221 COC(=O)CCCCCCCOCCCCN 34a_100000750430_100010004213 [1,1,0,0,0,0|2,0,0]=4 1259 B16R0.221 COC(=O)CCCCCCCOCCCCO 34a_100011022521_100011216708 [1,1,0,0,0,0|2,0,0]=4 1260 B16R0.221 COC(=O)CCCCCCCOCCCCO 7a_100011022521_100000210776 [1,1,0,0,0,0|2,0,0]=4 1261 B16R0.221 COC(=O)CCCCCCCOCCCSC 34a_100000690336_100010004213 [1,1,0,0,0,0|2,0,0]=4 1262 B16R0.221 COC(=O)CCCCCCCOCCCSC 7a_100000690336_100010004213 [1,1,0,0,0,0|2,0,0]=4 1263 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100000729493_100010004213 [1,1,0,0,0,0|2,0,0]=4 1264 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100010004213_100000729493 [1,1,0,0,0,0|2,0,0]=4 1265 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100000210776_100010004213 [1,1,0,0,0,0|2,0,0]=4 1266 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100010004213_100000210776 [1,1,0,0,0,0|2,0,0]=4 1267 B16R0.221 COC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009815986 [1,1,0,0,0,0|2,0,0]=4 1268 B16R0.221 COC(=O)CCCCCCNCCCCCO 34a_100000762737_100009815986 [1,1,0,0,0,0|2,0,0]=4 1269 B16R0.221 COC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009815986 [1,1,0,0,0,0|2,0,0]=4 1270 B16R0.221 COC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009815986 [1,1,0,0,0,0|2,0,0]=4 1271 B16R0.221 COC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009815986 [1,1,0,0,0,0|2,0,0]=4 1272 B16R0.221 COC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009815986 [1,1,0,0,0,0|2,0,0]=4 1273 B16R0.221 COC(=O)CCCCCCOCCCCCF 34a_100009863599_100000729378 [1,1,0,0,0,0|2,0,0]=4 1274 B16R0.221 COC(=O)CCCCCCOCCCCCF 7a_100009863599_100000729378 [1,1,0,0,0,0|2,0,0]=4 1275 B16R0.221 COC(=O)CCCCCCOCCCCCI 34a_200012148887_100009815986 [1,1,0,0,0,0|2,0,0]=4 1276 B16R0.221 COC(=O)CCCCCCOCCCCCI 7a_200012148887_100009815986 [1,1,0,0,0,0|2,0,0]=4 1277 B16R0.221 COC(=O)CCCCCCOCCCCCN 34a_100000762737_100009815986 [1,1,0,0,0,0|2,0,0]=4 1278 B16R0.221 COC(=O)CCCCCCOCCCCCO 34a_100009863599_100000746330 [1,1,0,0,0,0|2,0,0]=4 1279 B16R0.221 COC(=O)CCCCCCOCCCCCO 7a_100009863599_100000746330 [1,1,0,0,0,0|2,0,0]=4 1280 B16R0.221 COC(=O)CCCCCCOCCCCSC 34a_100011217163_100009815986 [1,1,0,0,0,0|2,0,0]=4 1281 B16R0.221 COC(=O)CCCCCCOCCCCSC 7a_100011217163_100009815986 [1,1,0,0,0,0|2,0,0]=4 1282 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100000729378_100009815986 [1,1,0,0,0,0|2,0,0]=4 1283 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100009815986_100000729378 [1,1,0,0,0,0|2,0,0]=4 1284 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100000746330_100009815986 [1,1,0,0,0,0|2,0,0]=4 1285 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100009815986_100000746330 [1,1,0,0,0,0|2,0,0]=4 1286 B16R0.221 COC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009816466 [1,1,0,0,0,0|2,0,0]=4 1287 B16R0.221 COC(=O)CCCCCNCCCCCCO 34a_100000686447_100009816466 [1,1,0,0,0,0|2,0,0]=4 1288 B16R0.221 COC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009816466 [1,1,0,0,0,0|2,0,0]=4 1289 B16R0.221 COC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009816466 [1,1,0,0,0,0|2,0,0]=4 1290 B16R0.221 COC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009816466 [1,1,0,0,0,0|2,0,0]=4 1291 B16R0.221 COC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009816466 [1,1,0,0,0,0|2,0,0]=4 1292 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000074720_100015922095 [1,1,0,0,0,0|2,0,0]=4 1293 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000732779_100009816466 [1,1,0,0,0,0|2,0,0]=4 1294 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000074720_100015922095 [1,1,0,0,0,0|2,0,0]=4 1295 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000732779_100009816466 [1,1,0,0,0,0|2,0,0]=4 1296 B16R0.221 COC(=O)CCCCCOCCCCCCN 34a_100000686447_100009816466 [1,1,0,0,0,0|2,0,0]=4 1297 B16R0.221 COC(=O)CCCCCOCCCCCCO 34a_100000074720_100000766143 [1,1,0,0,0,0|2,0,0]=4 1298 B16R0.221 COC(=O)CCCCCOCCCCCCO 7a_100000074720_100000766143 [1,1,0,0,0,0|2,0,0]=4 1299 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100009816466_100015922095 [1,1,0,0,0,0|2,0,0]=4 1300 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100015922095_100009816466 [1,1,0,0,0,0|2,0,0]=4 1301 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100000766143_100009816466 [1,1,0,0,0,0|2,0,0]=4 1302 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100009816466_100000766143 [1,1,0,0,0,0|2,0,0]=4 1303 B16R0.221 COC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000204269 [1,1,0,0,0,0|2,0,0]=4 1304 B16R0.221 COC(=O)CCCCNCCCCCCCO 34a_100011996573_100000204269 [1,1,0,0,0,0|2,0,0]=4 1305 B16R0.221 COC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000204269 [1,1,0,0,0,0|2,0,0]=4 1306 B16R0.221 COC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000204269 [1,1,0,0,0,0|2,0,0]=4 1307 B16R0.221 COC(=O)CCCCOCCCCCCCN 34a_100011996573_100000204269 [1,1,0,0,0,0|2,0,0]=4 1308 B16R0.221 COC(=O)CCCCOCCCCCCCO 34a_100000059025_100000760002 [1,1,0,0,0,0|2,0,0]=4 1309 B16R0.221 COC(=O)CCCCOCCCCCCCO 7a_100000059025_100000760002 [1,1,0,0,0,0|2,0,0]=4 1310 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000204269_100000760002 [1,1,0,0,0,0|2,0,0]=4 1311 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000760002_100000204269 [1,1,0,0,0,0|2,0,0]=4 1312 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [1,1,0,0,0,0|2,0,0]=4 1313 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [1,1,0,0,0,0|2,0,0]=4 1314 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [1,1,0,0,0,0|2,0,0]=4 1315 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [1,1,0,0,0,0|2,0,0]=4 1316 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [1,1,0,0,0,0|2,0,0]=4 1317 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [1,1,0,0,0,0|2,0,0]=4 1318 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [1,1,0,0,0,0|2,0,0]=4 1319 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [1,1,0,0,0,0|2,0,0]=4 1320 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [1,1,0,0,0,0|2,0,0]=4 1321 B16R0.221 COC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000204255 [1,1,0,0,0,0|2,0,0]=4 1322 B16R0.221 COC(=O)CCNCCCCCCCCCO 34a_100000078944_100000742370 [1,1,0,0,0,0|2,0,0]=4 1323 B16R0.221 COC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000742370 [1,1,0,0,0,0|2,0,0]=4 1324 B16R0.221 COC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000204255 [1,1,0,0,0,0|2,0,0]=4 1325 B16R0.221 COC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000742370 [1,1,0,0,0,0|2,0,0]=4 1326 B16R0.221 COC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000204255 [1,1,0,0,0,0|2,0,0]=4 1327 B16R0.221 COC(=O)CCOCCCCCCCCCN 34a_100000078944_100000742370 [1,1,0,0,0,0|2,0,0]=4 1328 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100000204255_100009813782 [1,1,0,0,0,0|2,0,0]=4 1329 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100009813782_100000204255 [1,1,0,0,0,0|2,0,0]=4 1330 B16R0.221 COC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747449 [1,1,0,0,0,0|2,0,0]=4 1331 B16R0.221 COC(=O)CNCCCCCCCCCCO 34a_100000066964_100000747449 [1,1,0,0,0,0|2,0,0]=4 1332 B16R0.221 COC(=O)COCCCCCCCCCCBr 34a_100009813290_100000747449 [1,1,0,0,0,0|2,0,0]=4 1333 B16R0.221 COC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747449 [1,1,0,0,0,0|2,0,0]=4 1334 B16R0.221 COC(=O)COCCCCCCCCCCCl 34a_200000033068_100000747449 [1,1,0,0,0,0|2,0,0]=4 1335 B16R0.221 COC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747449 [1,1,0,0,0,0|2,0,0]=4 1336 B16R0.221 COC(=O)COCCCCCCCCCCN 34a_100000066964_100000747449 [1,1,0,0,0,0|2,0,0]=4 1337 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100000747449_200000033068 [1,1,0,0,0,0|2,0,0]=4 1338 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747449 [1,1,0,0,0,0|2,0,0]=4 1339 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [1,1,0,0,0,0|1,0,0]=3 1340 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_100000059025_100011998445 [1,1,0,0,0,0|2,0,0]=4 1341 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_200012092642_100000204269 [1,1,0,0,0,0|2,0,0]=4 1342 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_100000059025_100011998445 [1,1,0,0,0,0|2,0,0]=4 1343 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_200012092642_100000204269 [1,1,0,0,0,0|2,0,0]=4 1344 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100000204269_100011998445 [1,1,0,0,0,0|2,0,0]=4 1345 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100011998445_100000204269 [1,1,0,0,0,0|2,0,0]=4 1346 B16R0.221 COCCCCCNCCCCCC(=O)OC 2230a_100000747528_100009816466 [1,1,0,0,0,0|2,0,0]=4 1347 B16R0.221 COCCCCCNCCCCCC(=O)OC 34a_100000747528_100009816466 [1,1,0,0,0,0|2,0,0]=4 1348 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100000740925_100009815986 [1,1,0,0,0,0|2,0,0]=4 1349 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100009863599_100000755781 [1,1,0,0,0,0|2,0,0]=4 1350 B16R0.221 COCCCCOCCCCCCC(=O)OC 7a_100009863599_100000730899 [1,1,0,0,0,0|2,0,0]=4 1351 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100000730899_100009815986 [1,1,0,0,0,0|2,0,0]=4 1352 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100009815986_100000730899 [1,1,0,0,0,0|2,0,0]=4 1353 B16R0.221 COCCCNCCCCCCCC(=O)OC 34a_100150723488_100010004213 [1,1,0,0,0,0|2,0,0]=4 1354 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100000740835_100010004213 [1,1,0,0,0,0|2,0,0]=4 1355 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100011022521_100000740836 [1,1,0,0,0,0|2,0,0]=4 1356 B16R0.221 COCCCOCCCCCCCC(=O)OC 7a_100011022521_100000740836 [1,1,0,0,0,0|2,0,0]=4 1357 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100000709357_100010004213 [1,1,0,0,0,0|2,0,0]=4 1358 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100010004213_100000709357 [1,1,0,0,0,0|2,0,0]=4 1359 B16R0.221 COCCNCCCCCCCCC(=O)OC 2230a_100000209980_100010282707 [1,1,0,0,0,0|2,0,0]=4 1360 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000035544_100011201679 [1,1,0,0,0,0|2,0,0]=4 1361 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000210237_100010282707 [1,1,0,0,0,0|2,0,0]=4 1362 B16R0.221 COCCOCCCCCCCCC(=O)OC 7a_100000035544_100000233755 [1,1,0,0,0,0|2,0,0]=4 1363 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100000233755_100010282707 [1,1,0,0,0,0|2,0,0]=4 1364 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100010282707_100000233755 [1,1,0,0,0,0|2,0,0]=4 1365 B16R0.221 COCSCCCCCCCCCC(=O)OC 62a_100000766300_100009813843 [1,1,0,0,0,0|2,0,0]=4 1366 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [1,1,0,0,0,0|1,0,0]=3 1367 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [1,1,0,0,0,0|2,0,0]=4 1368 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [1,1,0,0,0,0|2,0,0]=4 1369 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1370 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1371 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [1,1,0,0,0,0|2,0,0]=4 1372 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [1,1,0,0,0,0|2,0,0]=4 1373 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [1,1,0,0,0,0|2,0,0]=4 1374 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [1,1,0,0,0,0|2,0,0]=4 1375 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [1,1,0,0,0,0|2,0,0]=4 1376 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [1,1,0,0,0,0|2,0,0]=4 1377 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [1,1,0,0,0,0|2,0,0]=4 1378 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [1,1,0,0,0,0|1,0,1]=4 1379 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [1,1,0,0,0,0|1,0,0]=3 1380 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [1,1,0,0,0,0|2,0,0]=4 1381 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [1,1,0,0,0,0|2,0,0]=4 1382 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [1,1,0,0,0,0|2,0,0]=4 1383 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [1,1,0,0,0,0|2,0,0]=4 1384 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [1,1,0,0,0,0|2,0,0]=4 1385 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [1,1,0,0,0,0|2,0,0]=4 1386 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [1,1,0,0,0,0|2,0,0]=4 1387 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [1,1,0,0,0,0|2,0,0]=4 1388 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [1,1,0,0,0,0|1,0,1]=4 1389 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [1,1,0,0,0,0|1,0,1]=4 1390 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [1,1,0,0,0,0|2,0,0]=4 1391 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [1,1,0,0,0,0|2,0,0]=4 1392 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [1,1,0,0,0,0|2,0,0]=4 1393 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [1,1,0,0,0,0|2,0,0]=4 1394 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [1,1,0,0,0,0|1,0,1]=4 1395 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [1,1,0,0,0,0|1,0,0]=3 1396 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [1,1,0,0,0,0|1,0,0]=3 1397 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [1,1,0,0,0,0|2,0,0]=4 1398 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [1,1,0,0,0,0|2,0,0]=4 1399 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [1,1,0,0,0,0|2,0,0]=4 1400 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [1,1,0,0,0,0|2,0,0]=4 1401 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [1,1,0,0,0,0|2,0,0]=4 1402 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [1,1,0,0,0,0|2,0,0]=4 1403 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [1,1,0,0,0,0|2,0,0]=4 1404 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [1,1,0,0,0,0|0,0,2]=4 1405 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [1,1,0,0,0,0|1,0,0]=3 1406 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [1,1,0,0,0,0|2,0,0]=4 1407 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [1,1,0,0,0,0|2,0,0]=4 1408 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [1,1,0,0,0,0|2,0,0]=4 1409 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [1,1,0,0,0,0|2,0,0]=4 1410 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [1,1,0,0,0,0|2,0,0]=4 1411 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [1,1,0,0,0,0|2,0,0]=4 1412 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [1,1,0,0,0,0|2,0,0]=4 1413 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [1,1,0,0,0,0|2,0,0]=4 1414 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [1,1,0,0,0,0|2,0,0]=4 1415 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [1,1,0,0,0,0|2,0,0]=4 1416 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [1,1,0,0,0,0|2,0,0]=4 1417 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [1,1,0,0,0,0|2,0,0]=4 1418 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [1,1,0,0,0,0|2,0,0]=4 1419 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [1,1,0,0,0,0|2,0,0]=4 1420 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [1,1,0,0,0,0|2,0,0]=4 1421 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [1,1,0,0,0,0|2,0,0]=4 1422 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [1,1,0,0,0,0|2,0,0]=4 1423 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [1,1,0,0,0,0|2,0,0]=4 1424 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [1,1,0,0,0,0|2,0,0]=4 1425 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [1,1,0,0,0,0|2,0,0]=4 1426 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [1,1,0,0,0,0|2,0,0]=4 1427 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [1,1,0,0,0,0|2,0,0]=4 1428 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [1,1,0,0,0,0|2,0,0]=4 1429 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [1,1,0,0,0,0|2,0,0]=4 1430 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [1,1,0,0,0,0|2,0,0]=4 1431 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [1,1,0,0,0,0|2,0,0]=4 1432 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [1,1,0,0,0,0|0,0,2]=4 1433 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 1434 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 1435 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 1436 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [1,1,0,0,0,0|1,0,0]=3 1437 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [1,1,0,0,0,0|1,0,0]=3 1438 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [1,1,0,0,0,0|1,0,0]=3 1439 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [1,1,0,0,0,0|1,0,0]=3 1440 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [1,1,0,0,0,0|0,0,0]=2 1441 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [1,1,0,0,0,0|0,0,1]=3 1442 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [1,1,0,0,0,0|1,0,1]=4 1443 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [1,1,0,0,0,0|1,0,1]=4 1444 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [1,1,0,0,0,0|1,0,1]=4 1445 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [1,1,0,0,0,0|1,0,1]=4 1446 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [1,1,0,0,0,0|1,0,1]=4 1447 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [1,1,0,0,0,0|1,0,1]=4 1448 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [1,1,0,0,0,0|1,0,1]=4 1449 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [1,1,0,0,0,0|1,0,1]=4 1450 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,1,0,0,0,0|1,0,0]=3 1451 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [1,1,0,0,0,0|1,0,0]=3 1452 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [1,1,0,0,0,0|1,0,0]=3 1453 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [1,1,0,0,0,0|0,0,1]=3 1454 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [1,1,0,0,0,0|1,0,1]=4 1455 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [1,1,0,0,0,0|1,0,1]=4 1456 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [1,1,0,0,0,0|1,0,1]=4 1457 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [1,1,0,0,0,0|1,0,1]=4 1458 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [1,1,0,0,0,0|1,0,1]=4 1459 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [1,1,0,0,0,0|1,0,0]=3 1460 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [1,1,0,0,0,0|0,0,1]=3 1461 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [1,1,0,0,0,0|1,0,0]=3 1462 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [1,1,0,0,0,0|1,0,0]=3 1463 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [1,1,0,0,0,0|1,0,1]=4 1464 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [1,1,0,0,0,0|1,0,1]=4 1465 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [1,1,0,0,0,0|1,0,1]=4 1466 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [1,1,0,0,0,0|2,0,0]=4 1467 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [1,1,0,0,0,0|1,0,0]=3 1468 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [1,1,0,0,0,0|1,0,0]=3 1469 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [1,1,0,0,0,0|1,0,0]=3 1470 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [1,1,0,0,0,0|1,0,0]=3 1471 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [1,1,0,0,0,0|1,0,0]=3 1472 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [1,1,0,0,0,0|1,0,0]=3 1473 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [1,1,0,0,0,0|1,0,0]=3 1474 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [1,1,0,0,0,0|1,0,0]=3 1475 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [1,1,0,0,0,0|1,0,1]=4 1476 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [1,1,0,0,0,0|1,0,1]=4 1477 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [1,1,0,0,0,0|2,0,0]=4 1478 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [1,1,0,0,0,0|1,0,0]=3 1479 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [1,1,0,0,0,0|2,0,0]=4 1480 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [1,1,0,0,0,0|1,0,0]=3 1481 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [1,1,0,0,0,0|1,0,0]=3 1482 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [1,1,0,0,0,0|1,0,0]=3 1483 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [1,1,0,0,0,0|1,0,1]=4 1484 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [1,1,0,0,0,0|1,0,1]=4 1485 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [1,1,0,0,0,0|2,0,0]=4 1486 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [1,1,0,0,0,0|2,0,0]=4 1487 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [1,1,0,0,0,0|2,0,0]=4 1488 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [1,1,0,0,0,0|2,0,0]=4 1489 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [1,1,0,0,0,0|2,0,0]=4 1490 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [1,1,0,0,0,0|2,0,0]=4 1491 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [1,1,0,0,0,0|2,0,0]=4 1492 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [1,1,0,0,0,0|1,0,0]=3 1493 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [1,1,0,0,0,0|1,0,0]=3 1494 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [1,1,0,0,0,0|1,0,0]=3 1495 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [1,1,0,0,0,0|1,0,0]=3 1496 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [1,1,0,0,0,0|1,0,0]=3 1497 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [1,1,0,0,0,0|1,0,0]=3 1498 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [1,1,0,0,0,0|1,0,1]=4 1499 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [1,1,0,0,0,0|1,0,1]=4 1500 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [1,1,0,0,0,0|1,0,1]=4 1501 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [1,1,0,0,0,0|2,0,0]=4 1502 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [1,1,0,0,0,0|2,0,0]=4 1503 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [1,1,0,0,0,0|2,0,0]=4 1504 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [1,1,0,0,0,0|2,0,0]=4 1505 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [1,1,0,0,0,0|2,0,0]=4 1506 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [1,1,0,0,0,0|2,0,0]=4 1507 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [1,1,0,0,0,0|2,0,0]=4 1508 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [1,1,0,0,0,0|2,0,0]=4 1509 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [1,1,0,0,0,0|2,0,0]=4 1510 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [1,1,0,0,0,0|1,0,0]=3 1511 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [1,1,0,0,0,0|2,0,0]=4 1512 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [1,1,0,0,0,0|2,0,0]=4 1513 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [1,1,0,0,0,0|2,0,0]=4 1514 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [1,1,0,0,0,0|2,0,0]=4 1515 B16R0.274 CCCCCCCCCNCCCCB(O)O 2230a_100000212291_200009817182 [1,1,0,0,0,0|1,0,1]=4 1516 B16R0.274 CCCCCCCCCNCCCCB(O)O 34a_100000212291_200009817182 [1,1,0,0,0,0|1,0,1]=4 1517 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [1,1,0,0,0,0|1,0,0]=3 1518 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [1,1,0,0,0,0|1,0,0]=3 1519 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [1,1,0,0,0,0|2,0,0]=4 1520 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [1,1,0,0,0,0|2,0,0]=4 1521 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [1,1,0,0,0,0|2,0,0]=4 1522 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [1,1,0,0,0,0|2,0,0]=4 1523 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [1,1,0,0,0,0|2,0,0]=4 1524 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [1,1,0,0,0,0|2,0,0]=4 1525 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [1,1,0,0,0,0|1,0,0]=3 1526 B16R0.274 CCCCCCCCCOCCCCB(O)O 34a_100000210712_200009817182 [1,1,0,0,0,0|1,0,1]=4 1527 B16R0.274 CCCCCCCCCOCCCCB(O)O 7a_100000210712_200009817182 [1,1,0,0,0,0|1,0,1]=4 1528 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [1,1,0,0,0,0|1,0,0]=3 1529 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [1,1,0,0,0,0|1,0,0]=3 1530 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [1,1,0,0,0,0|1,0,0]=3 1531 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [1,1,0,0,0,0|1,0,0]=3 1532 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [1,1,0,0,0,0|1,0,1]=4 1533 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [1,1,0,0,0,0|1,0,1]=4 1534 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [1,1,0,0,0,0|2,0,0]=4 1535 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [1,1,0,0,0,0|2,0,0]=4 1536 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [1,1,0,0,0,0|2,0,0]=4 1537 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [1,1,0,0,0,0|2,0,0]=4 1538 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [1,1,0,0,0,0|2,0,0]=4 1539 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [1,1,0,0,0,0|2,0,0]=4 1540 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [1,1,0,0,0,0|2,0,0]=4 1541 B16R0.274 CCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210670 [1,1,0,0,0,0|1,0,1]=4 1542 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [1,1,0,0,0,0|2,0,0]=4 1543 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [1,1,0,0,0,0|2,0,0]=4 1544 B16R0.274 CCCCCCCCNCCCCCB(O)O 2230a_100000229939_200009817188 [1,1,0,0,0,0|1,0,1]=4 1545 B16R0.274 CCCCCCCCNCCCCCB(O)O 34a_100000229939_200009817188 [1,1,0,0,0,0|1,0,1]=4 1546 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [1,1,0,0,0,0|1,0,0]=3 1547 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [1,1,0,0,0,0|1,0,0]=3 1548 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [1,1,0,0,0,0|2,0,0]=4 1549 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [1,1,0,0,0,0|2,0,0]=4 1550 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [1,1,0,0,0,0|2,0,0]=4 1551 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [1,1,0,0,0,0|2,0,0]=4 1552 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [1,1,0,0,0,0|2,0,0]=4 1553 B16R0.274 CCCCCCCCOCCCCCB(O)O 34a_100000210232_200009817188 [1,1,0,0,0,0|1,0,1]=4 1554 B16R0.274 CCCCCCCCOCCCCCB(O)O 7a_100000210232_200009817188 [1,1,0,0,0,0|1,0,1]=4 1555 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [1,1,0,0,0,0|1,0,0]=3 1556 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [1,1,0,0,0,0|1,0,0]=3 1557 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [1,1,0,0,0,0|1,0,0]=3 1558 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [1,1,0,0,0,0|1,0,0]=3 1559 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [1,1,0,0,0,0|0,0,1]=3 1560 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [1,1,0,0,0,0|2,0,0]=4 1561 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [1,1,0,0,0,0|2,0,0]=4 1562 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [1,1,0,0,0,0|2,0,0]=4 1563 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [1,1,0,0,0,0|2,0,0]=4 1564 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [1,1,0,0,0,0|2,0,0]=4 1565 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [1,1,0,0,0,0|2,0,0]=4 1566 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_100000210759_200009817188 [1,1,0,0,0,0|1,0,1]=4 1567 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210317 [1,1,0,0,0,0|1,0,1]=4 1568 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [1,1,0,0,0,0|1,0,0]=3 1569 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [1,1,0,0,0,0|1,0,0]=3 1570 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [1,1,0,0,0,0|2,0,0]=4 1571 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [1,1,0,0,0,0|2,0,0]=4 1572 B16R0.274 CCCCCCCNCCCCCCB(O)O 2230a_100000229938_100009817187 [1,1,0,0,0,0|1,0,1]=4 1573 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [1,1,0,0,0,0|2,0,0]=4 1574 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [1,1,0,0,0,0|2,0,0]=4 1575 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [1,1,0,0,0,0|2,0,0]=4 1576 B16R0.274 CCCCCCCOCCCCCCB(O)O 34a_100000210272_100009817187 [1,1,0,0,0,0|1,0,1]=4 1577 B16R0.274 CCCCCCCOCCCCCCB(O)O 7a_100000210272_100009817187 [1,1,0,0,0,0|1,0,1]=4 1578 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [1,1,0,0,0,0|2,0,0]=4 1579 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [1,1,0,0,0,0|2,0,0]=4 1580 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100000210614_100009817187 [1,1,0,0,0,0|1,0,1]=4 1581 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210316 [1,1,0,0,0,0|1,0,1]=4 1582 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [1,1,0,0,0,0|2,0,0]=4 1583 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [1,1,0,0,0,0|2,0,0]=4 1584 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [1,1,0,0,0,0|2,0,0]=4 1585 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [1,1,0,0,0,0|2,0,0]=4 1586 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [1,1,0,0,0,0|2,0,0]=4 1587 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [1,1,0,0,0,0|2,0,0]=4 1588 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [1,1,0,0,0,0|2,0,0]=4 1589 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [1,1,0,0,0,0|2,0,0]=4 1590 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [1,1,0,0,0,0|2,0,0]=4 1591 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [1,1,0,0,0,0|2,0,0]=4 1592 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [1,1,0,0,0,0|2,0,0]=4 1593 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [1,1,0,0,0,0|2,0,0]=4 1594 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [1,1,0,0,0,0|2,0,0]=4 1595 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [1,1,0,0,0,0|2,0,0]=4 1596 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [1,1,0,0,0,0|2,0,0]=4 1597 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [1,1,0,0,0,0|2,0,0]=4 1598 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [1,1,0,0,0,0|2,0,0]=4 1599 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [1,1,0,0,0,0|1,0,0]=3 1600 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [1,1,0,0,0,0|1,0,0]=3 1601 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [1,1,0,0,0,0|1,0,0]=3 1602 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [1,1,0,0,0,0|2,0,0]=4 1603 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [1,1,0,0,0,0|2,0,0]=4 1604 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [1,1,0,0,0,0|1,0,1]=4 1605 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [1,1,0,0,0,0|2,0,0]=4 1606 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [1,1,0,0,0,0|2,0,0]=4 1607 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [1,1,0,0,0,0|2,0,0]=4 1608 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [1,1,0,0,0,0|2,0,0]=4 1609 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [1,1,0,0,0,0|2,0,0]=4 1610 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [1,1,0,0,0,0|2,0,0]=4 1611 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [1,1,0,0,0,0|2,0,0]=4 1612 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [1,1,0,0,0,0|2,0,0]=4 1613 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [1,1,0,0,0,0|1,0,1]=4 1614 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [1,1,0,0,0,0|2,0,0]=4 1615 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [1,1,0,0,0,0|2,0,0]=4 1616 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [1,1,0,0,0,0|2,0,0]=4 1617 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [1,1,0,0,0,0|2,0,0]=4 1618 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [1,1,0,0,0,0|2,0,0]=4 1619 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [1,1,0,0,0,0|2,0,0]=4 1620 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [1,1,0,0,0,0|2,0,0]=4 1621 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [1,1,0,0,0,0|2,0,0]=4 1622 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [1,1,0,0,0,0|2,0,0]=4 1623 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [1,1,0,0,0,0|2,0,0]=4 1624 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [1,1,0,0,0,0|2,0,0]=4 1625 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [1,1,0,0,0,0|2,0,0]=4 1626 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [1,1,0,0,0,0|2,0,0]=4 1627 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [1,1,0,0,0,0|2,0,0]=4 1628 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 1629 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 1630 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 1631 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 1632 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [1,1,0,0,0,0|2,0,0]=4 1633 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [1,1,0,0,0,0|2,0,0]=4 1634 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 1635 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [1,1,0,0,0,0|2,0,0]=4 1636 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [1,1,0,0,0,0|2,0,0]=4 1637 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [1,1,0,0,0,0|2,0,0]=4 1638 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [1,1,0,0,0,0|2,0,0]=4 1639 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [1,1,0,0,0,0|2,0,0]=4 1640 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [1,1,0,0,0,0|2,0,0]=4 1641 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1642 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1643 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [1,1,0,0,0,0|2,0,0]=4 1644 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [1,1,0,0,0,0|2,0,0]=4 1645 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1646 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [1,1,0,0,0,0|2,0,0]=4 1647 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [1,1,0,0,0,0|2,0,0]=4 1648 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [1,1,0,0,0,0|2,0,0]=4 1649 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [1,1,0,0,0,0|2,0,0]=4 1650 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [1,1,0,0,0,0|2,0,0]=4 1651 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [1,1,0,0,0,0|2,0,0]=4 1652 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [1,1,0,0,0,0|2,0,0]=4 1653 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [1,1,0,0,0,0|2,0,0]=4 1654 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [1,1,0,0,0,0|2,0,0]=4 1655 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [1,1,0,0,0,0|2,0,0]=4 1656 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [1,1,0,0,0,0|2,0,0]=4 1657 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [1,1,0,0,0,0|2,0,0]=4 1658 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [1,1,0,0,0,0|2,0,0]=4 1659 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [1,1,0,0,0,0|2,0,0]=4 1660 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [1,1,0,0,0,0|2,0,0]=4 1661 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [1,1,0,0,0,0|2,0,0]=4 1662 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [1,1,0,0,0,0|2,0,0]=4 1663 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 1664 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [1,1,0,0,0,0|2,0,0]=4 1665 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [1,1,0,0,0,0|1,0,0]=3 1666 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [1,1,0,0,0,0|2,0,0]=4 1667 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [1,1,0,0,0,0|2,0,0]=4 1668 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [1,1,0,0,0,0|1,0,1]=4 1669 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [1,1,0,0,0,0|1,0,1]=4 1670 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [1,1,0,0,0,0|1,0,1]=4 1671 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [1,1,0,0,0,0|1,0,1]=4 1672 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [1,1,0,0,0,0|1,0,1]=4 1673 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [1,1,0,0,0,0|2,0,0]=4 1674 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [1,1,0,0,0,0|2,0,0]=4 1675 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [1,1,0,0,0,0|2,0,0]=4 1676 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [1,1,0,0,0,0|2,0,0]=4 1677 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [1,1,0,0,0,0|2,0,0]=4 1678 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [1,1,0,0,0,0|1,0,0]=3 1679 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [1,1,0,0,0,0|1,0,1]=4 1680 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [1,1,0,0,0,0|2,0,0]=4 1681 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [1,1,0,0,0,0|1,0,1]=4 1682 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [1,1,0,0,0,0|2,0,0]=4 1683 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [1,1,0,0,0,0|2,0,0]=4 1684 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [1,1,0,0,0,0|2,0,0]=4 1685 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [1,1,0,0,0,0|2,0,0]=4 1686 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [1,1,0,0,0,0|2,0,0]=4 1687 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [1,1,0,0,0,0|2,0,0]=4 1688 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [1,1,0,0,0,0|2,0,0]=4 1689 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [1,1,0,0,0,0|2,0,0]=4 1690 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [1,1,0,0,0,0|1,0,1]=4 1691 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [1,1,0,0,0,0|2,0,0]=4 1692 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [1,1,0,0,0,0|2,0,0]=4 1693 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [1,1,0,0,0,0|1,0,1]=4 1694 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [1,1,0,0,0,0|2,0,0]=4 1695 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [1,1,0,0,0,0|2,0,0]=4 1696 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [1,1,0,0,0,0|2,0,0]=4 1697 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [1,1,0,0,0,0|2,0,0]=4 1698 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [1,1,0,0,0,0|2,0,0]=4 1699 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [1,1,0,0,0,0|2,0,0]=4 1700 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [1,1,0,0,0,0|2,0,0]=4 1701 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [1,1,0,0,0,0|2,0,0]=4 1702 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [1,1,0,0,0,0|2,0,0]=4 1703 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [1,1,0,0,0,0|2,0,0]=4 1704 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [1,1,0,0,0,0|2,0,0]=4 1705 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [1,1,0,0,0,0|2,0,0]=4 1706 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [1,1,0,0,0,0|2,0,0]=4 1707 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [1,1,0,0,0,0|2,0,0]=4 1708 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [1,1,0,0,0,0|2,0,0]=4 1709 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [1,1,0,0,0,0|1,0,1]=4 1710 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [1,1,0,0,0,0|2,0,0]=4 1711 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [1,1,0,0,0,0|2,0,0]=4 1712 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [1,1,0,0,0,0|2,0,0]=4 1713 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [1,1,0,0,0,0|2,0,0]=4 1714 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [1,1,0,0,0,0|2,0,0]=4 1715 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [1,1,0,0,0,0|2,0,0]=4 1716 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [1,1,0,0,0,0|2,0,0]=4 1717 B16R0.61 C=CC[C@@H](N)COCCCCCCCCCC 34a_100020615467_100000210320 [1,1,0,0,0,0|2,0,0]=4 1718 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [1,1,0,0,0,0|2,0,0]=4 1719 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [1,1,0,0,0,0|2,0,0]=4 1720 B16R0.61 CCCCCCCCCCCNC(C)CCO 2230a_200011215754_100009893172 [1,1,0,0,0,0|1,0,1]=4 1721 B16R0.61 CCCCCCCCCCCNC(C)CCO 34a_200011215754_100009893172 [1,1,0,0,0,0|1,0,1]=4 1722 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 1723 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 1724 B16R0.61 CCCCCCCCCCCOC(C)CCO 34a_100000210809_100009893172 [1,1,0,0,0,0|1,0,1]=4 1725 B16R0.61 CCCCCCCCCCCOC(C)CCO 7a_100000210809_100009893172 [1,1,0,0,0,0|1,0,1]=4 1726 B16R0.61 CCCCCCCCCCNCC(O)COC 2230a_100000756049_100000210320 [1,1,0,0,0,0|2,0,0]=4 1727 B16R0.61 CCCCCCCCCCNCC(O)COC 34a_100000684558_100011215053 [1,1,0,0,0,0|2,0,0]=4 1728 B16R0.61 CCCCCCCCCCNCC(O)COC 34a_100000756049_100000210320 [1,1,0,0,0,0|2,0,0]=4 1729 B16R0.61 CCCCCCCCCCNC[C@@H](O)CC#N 2230a_100000684558_100000001066 [1,1,0,0,0,0|1,0,1]=4 1730 B16R0.61 CCCCCCCCCCOCC(O)COC 34a_100000210711_100011215053 [1,1,0,0,0,0|2,0,0]=4 1731 B16R0.61 CCCCCCCCCCOCC(O)COC 7a_100000210711_100011215053 [1,1,0,0,0,0|2,0,0]=4 1732 B16R0.61 CCCCCCCCCCOC[C@@H](O)CC#N 7a_100000210711_100000001066 [1,1,0,0,0,0|1,0,1]=4 1733 B16R0.61 CCCCCCCCCCSCC(O)COC 62a_100011215053_100000210320 [1,1,0,0,0,0|2,0,0]=4 1734 B16R0.61 CCCCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210320 [1,1,0,0,0,0|1,0,1]=4 1735 B16R0.220 C=CC[C@H](CO)NCCCCCCCCCC 2230a_100020615467_100000210320 [1,1,0,0,0,0|2,0,0]=4 1736 B16R0.661 CCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011216755 [1,1,0,0,0,0|1,0,1]=4 1737 B16R0.661 CCCCCCCCCCCC(C)OCC=O 34a_100011217895_200009817547 [1,1,0,0,0,0|1,0,0]=3 1738 B16R0.661 CCCCCCCCCCCC(C)OCC=O 7a_100011217895_200015260668 [1,1,0,0,0,0|1,0,0]=3 1739 B16R0.661 CCCCCCCCCCCC(C)OCCO 34a_100011217895_100000211926 [1,1,0,0,0,0|1,0,1]=4 1740 B16R0.661 CCCCCCCCCCCC(C)OCCO 7a_100011217895_100000211926 [1,1,0,0,0,0|1,0,1]=4 1741 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210670 [0,1,0,0,1,0|2,0,0]=4 1742 B16R0.223 CCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210670 [0,1,0,0,1,0|2,0,0]=4 1743 B16R0.656 C=C[C@H](NCCCCCCCCCC)C(=O)O 269956a_100016992060_100000210320 [0,1,0,0,1,0|2,0,0]=4 1744 B16R0.656 CCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210320 [0,1,0,0,1,0|1,0,0]=3 1745 B16R0.656 CCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210320 [0,1,0,0,1,0|2,0,0]=4 1746 B16R0.656 CCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210320 [0,1,0,0,1,0|2,0,0]=4 1747 B16R0.656 CCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210320 [0,1,0,0,1,0|2,0,0]=4 1748 B16R0.656 O=C(O)C(CO)NCCCCCCCCCO 269956a_100000187304_100009813782 [0,1,0,0,1,0|2,0,0]=4 1749 B18R0.97 CCCCCCCCC(C)OCC(O)COC(=O)C 34a_100000210740_200000139349 [0,1,0,0,0,1|2,0,0]=4 1750 B18R0.97 CCCCCCCCC(C)OCC(O)COC(=O)C 7a_100000210740_200000139349 [0,1,0,0,0,1|2,0,0]=4 1751 B18R0.135 CCCCCCC(C)CCOCC(O)COC(=O)C 34a_200011024964_200000139349 [0,1,0,0,0,1|2,0,0]=4 1752 B18R0.135 CCCCCCC(C)CCOCC(O)COC(=O)C 7a_200011024964_200000139349 [0,1,0,0,0,1|2,0,0]=4 1753 B18R0.186 CCCCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216755 [0,1,0,0,0,1|2,0,0]=4 1754 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)N 34a_100011217895_100000702099 [0,1,0,0,0,1|2,0,0]=4 1755 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)N 7a_100011217895_100000702099 [0,1,0,0,0,1|2,0,0]=4 1756 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)N 34a_100011217895_100009813875 [0,1,0,0,0,1|2,0,0]=4 1757 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)N 7a_100011217895_100009813875 [0,1,0,0,0,1|2,0,0]=4 1758 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011217895_100020610796 [0,1,0,0,0,1|1,0,1]=4 1759 B18R0.944 CC(=O)OCC(O)COCCCCCCCC(C)C 34a_200000210741_200000139349 [0,1,0,0,0,1|2,0,0]=4 1760 B18R0.944 CC(=O)OCC(O)COCCCCCCCC(C)C 7a_200000210741_200000139349 [0,1,0,0,0,1|2,0,0]=4 1761 B18R0.6543 CCCCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011216755 [0,1,0,0,0,1|2,0,0]=4 1762 B18R0.7795 CCCCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215454 [0,1,0,0,0,1|0,0,2]=4 1763 B18R0.7795 CCCCCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100011215454 [0,1,0,0,0,1|0,0,2]=4 1764 B18R0.7795 CCCCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210736 [0,1,0,0,0,1|0,0,2]=4 1765 B18R0.7795 CCCCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_100020644155 [0,1,0,0,0,1|0,0,2]=4 1766 B18R0.7795 CCCCCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011216755 [0,1,0,0,0,1|2,0,0]=4 1767 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)NC 34a_100011217895_100000183359 [0,1,0,0,0,1|2,0,0]=4 1768 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)NC 7a_100011217895_100000183359 [0,1,0,0,0,1|2,0,0]=4 1769 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)OC 34a_100011217895_100000747449 [0,1,0,0,0,1|1,0,0]=3 1770 B18R0.7795 CCCCCCCCCCCC(C)OCC(=O)OC 7a_100011217895_100000747449 [0,1,0,0,0,1|1,0,0]=3 1771 B18R0.7795 CCCCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100011215454 [0,1,0,0,0,1|2,0,0]=4 1772 B18R0.11636 CCCCCCCCCN(C)CC(O)COC(=O)C 269982a_100000232482_200000139349 [0,1,0,0,0,1|2,0,0]=4 1773 B18R0.19183 CC(=O)OCC(O)CNCCCCCCCCCO 34a_100000078944_200000139349 [0,1,0,0,0,1|2,0,0]=4 1774 B18R0.19183 CC(=O)OCC(O)COCCCCCCCCCBr 34a_100009813782_200000139349 [0,1,0,0,0,1|2,0,0]=4 1775 B18R0.19183 CC(=O)OCC(O)COCCCCCCCCCBr 7a_100009813782_200000139349 [0,1,0,0,0,1|2,0,0]=4 1776 B18R0.19183 CC(=O)OCC(O)COCCCCCCCCCCl 34a_100009868337_200000139349 [0,1,0,0,0,1|2,0,0]=4 1777 B18R0.19183 CC(=O)OCC(O)COCCCCCCCCCCl 7a_100009868337_200000139349 [0,1,0,0,0,1|2,0,0]=4 1778 B18R0.19183 CC(=O)OCC(O)COCCCCCCCCCN 34a_100000078944_200000139349 [0,1,0,0,0,1|2,0,0]=4 1779 B18R0.19183 CC(=O)OCC(O)CSCCCCCCCCCO 62a_100009813782_200000139349 [0,1,0,0,0,1|2,0,0]=4 1780 B18R0.19183 CC(=O)OCC(O)CSCCCCCCCCCO 62a_200000139349_100009813782 [0,1,0,0,0,1|2,0,0]=4 1781 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011217028 [0,1,0,0,0,1|2,0,0]=4 1782 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [0,1,0,0,0,1|1,0,0]=3 1783 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 34a_200011215752_100000187820 [0,1,0,0,0,1|2,0,0]=4 1784 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 7a_200011215752_100000187820 [0,1,0,0,0,1|2,0,0]=4 1785 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)[O-] 34a_200011215752_100020667443 [0,1,0,0,0,1|1,0,1]=4 1786 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_100000747473_200011217028 [0,1,0,0,0,1|2,0,0]=4 1787 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_200011217028_100000747473 [0,1,0,0,0,1|2,0,0]=4 1788 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011217028 [0,1,0,0,0,1|1,0,1]=4 1789 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_200011217028_100020667443 [0,1,0,0,0,1|1,0,1]=4 1790 B18R0.19183 CCCCCCCCCCCNC(C)COC(=O)C 270004a_200011215754_100000000629 [0,1,0,0,0,1|2,0,0]=4 1791 B18R0.19183 CCCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210320 [0,1,0,0,0,1|0,0,2]=4 1792 B18R0.19183 CCCCCCCCCCNCC(C)CSC(=O)C 2230a_100000684558_200000116872 [0,1,0,0,0,1|2,0,0]=4 1793 B18R0.19183 CCCCCCCCCCNCC(C)CSC(=O)C 34a_100000684558_200000116872 [0,1,0,0,0,1|2,0,0]=4 1794 B18R0.19183 CCCCCCCCCCNCC(O)COC(=O)C 34a_100000684558_200000139349 [0,1,0,0,0,1|1,0,0]=3 1795 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 34a_100000210711_200000139349 [0,1,0,0,0,1|1,0,0]=3 1796 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 7a_100000210711_200000139349 [0,1,0,0,0,1|1,0,0]=3 1797 B18R0.19183 CCCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210320 [0,1,0,0,0,1|1,0,0]=3 1798 B18R0.19183 CCCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210670 [0,1,0,0,0,1|0,0,2]=4 1799 B18R0.19866 CCCCC(C)CCCCOCC(O)COC(=O)C 34a_200011021034_200000139349 [0,1,0,0,0,1|2,0,0]=4 1800 B18R0.19866 CCCCC(C)CCCCOCC(O)COC(=O)C 7a_200011021034_200000139349 [0,1,0,0,0,1|2,0,0]=4 1801 B18R0.6725 CCCCCCCCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000210188 [0,2,0,0,0,0|1,0,1]=4 1802 B18R0.6725 CCCCCCCCC(C)COC(C)CC(=O)OC 34a_200012125181_100009817358 [0,2,0,0,0,0|2,0,0]=4 1803 B18R0.6725 CCCCCCCCC(C)COC(C)CC(=O)OC 7a_200012125181_100009817358 [0,2,0,0,0,0|2,0,0]=4 1804 B18R0.6725 CCCCCCCCC(C)OC[C@H](O)CC(=O)OC 34a_100000210740_100000754131 [0,2,0,0,0,0|1,0,0]=3 1805 B18R0.6725 CCCCCCCCC(C)OC[C@H](O)CC(=O)OC 7a_100000210740_100000754131 [0,2,0,0,0,0|1,0,0]=3 1806 B18R0.19809 CCCCCCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210670 [0,2,0,0,0,0|1,0,1]=4 1807 B18R0.19809 CCCCCCCCCC(C)CN(C)CC(=O)OC 270004a_100000198492_200011218516 [0,2,0,0,0,0|2,0,0]=4 1808 B18R0.19809 CCCCCCCCCC(C)OC(C)CC(=O)OC 34a_100011218016_100009817358 [0,2,0,0,0,0|2,0,0]=4 1809 B18R0.19809 CCCCCCCCCC(C)OC(C)CC(=O)OC 7a_100011218016_100009817358 [0,2,0,0,0,0|2,0,0]=4 1810 B18R0.29 CCOC(=O)CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009814379 [0,2,0,0,0,0|1,0,1]=4 1811 B18R0.118 COC(=O)CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100010004213 [0,2,0,0,0,0|1,0,1]=4 1812 B18R0.175 C#CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000065265_100000754131 [0,2,0,0,0,0|0,0,2]=4 1813 B18R0.175 C#CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000065265_100000754131 [0,2,0,0,0,0|0,0,2]=4 1814 B18R0.175 C=CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100011215194_100000754131 [0,2,0,0,0,0|0,0,2]=4 1815 B18R0.175 C=CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100011215194_100000754131 [0,2,0,0,0,0|0,0,2]=4 1816 B18R0.175 C=CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011933949 [0,2,0,0,0,0|0,0,2]=4 1817 B18R0.175 C=CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100011933949_100000754131 [0,2,0,0,0,0|0,0,2]=4 1818 B18R0.175 CCC#CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_200000036426 [0,2,0,0,0,0|0,0,2]=4 1819 B18R0.175 CCC#CCCCCCCSC[C@H](O)CC(=O)OC 62a_200000036426_100000754131 [0,2,0,0,0,0|0,0,2]=4 1820 B18R0.175 CCCC/C=C/CCCCOC[C@H](O)CC(=O)OC 34a_200020645093_100000754131 [0,2,0,0,0,0|0,0,2]=4 1821 B18R0.175 CCCC/C=C/CCCCOC[C@H](O)CC(=O)OC 7a_200020645093_100000754131 [0,2,0,0,0,0|0,0,2]=4 1822 B18R0.175 CCCCC#CCCCCOC[C@H](O)CC(=O)OC 34a_200000066234_100000754131 [0,2,0,0,0,0|0,0,2]=4 1823 B18R0.175 CCCCC#CCCCCOC[C@H](O)CC(=O)OC 7a_200000066234_100000754131 [0,2,0,0,0,0|0,0,2]=4 1824 B18R0.175 CCCCC/C=C\CCCOC[C@H](O)CC(=O)OC 34a_100020655193_100000754131 [0,2,0,0,0,0|0,0,2]=4 1825 B18R0.175 CCCCC/C=C\CCCOC[C@H](O)CC(=O)OC 7a_100020655193_100000754131 [0,2,0,0,0,0|0,0,2]=4 1826 B18R0.175 CCCCCCC#CCCOC[C@H](O)CC(=O)OC 34a_200000033163_100000754131 [0,2,0,0,0,0|0,0,2]=4 1827 B18R0.175 CCCCCCC#CCCOC[C@H](O)CC(=O)OC 7a_200000033163_100000754131 [0,2,0,0,0,0|0,0,2]=4 1828 B18R0.175 CCCCCCCC#CCOC[C@H](O)CC(=O)OC 34a_200000061759_100000754131 [0,2,0,0,0,0|0,0,2]=4 1829 B18R0.175 CCCCCCCC#CCOC[C@H](O)CC(=O)OC 7a_200000061759_100000754131 [0,2,0,0,0,0|0,0,2]=4 1830 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000759014 [0,2,0,0,0,0|0,0,2]=4 1831 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100011215791_100000747449 [0,2,0,0,0,0|0,0,2]=4 1832 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215052 [0,2,0,0,0,0|2,0,0]=4 1833 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000227908_100000747449 [0,2,0,0,0,0|2,0,0]=4 1834 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 269982a_100000227908_100000747449 [0,2,0,0,0,0|2,0,0]=4 1835 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 270004a_100000198492_100011218549 [0,2,0,0,0,0|2,0,0]=4 1836 B18R0.175 CCCCCCCCCCCNC(=O)CC(=O)OC 240690a_200011215754_100000211351 [0,2,0,0,0,0|0,0,2]=4 1837 B18R0.175 CCCCCCCCCCCNC(C)CC(=O)OC 2230a_200011215754_100009817358 [0,2,0,0,0,0|1,0,0]=3 1838 B18R0.175 CCCCCCCCCCCNC(C)CC(=O)OC 34a_200011215754_100009817358 [0,2,0,0,0,0|1,0,0]=3 1839 B18R0.175 CCCCCCCCCCCOC(C)CC(=O)OC 34a_100000210809_100009817358 [0,2,0,0,0,0|1,0,0]=3 1840 B18R0.175 CCCCCCCCCCCOC(C)CC(=O)OC 7a_100000210809_100009817358 [0,2,0,0,0,0|1,0,0]=3 1841 B18R0.175 CCCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000684558_100000754131 [0,2,0,0,0,0|0,0,0]=2 1842 B18R0.175 CCCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210711_100000754131 [0,2,0,0,0,0|0,0,0]=2 1843 B18R0.175 CCCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210711_100000754131 [0,2,0,0,0,0|0,0,0]=2 1844 B18R0.175 CCCCCCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210320 [0,2,0,0,0,0|0,0,2]=4 1845 B18R0.175 CCCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210320 [0,2,0,0,0,0|0,0,0]=2 1846 B18R0.175 CCCCOCCOCCOC[C@H](O)CC(=O)OC 34a_100011215186_100000754131 [0,2,0,0,0,0|2,0,0]=4 1847 B18R0.175 CCCCOCCOCCOC[C@H](O)CC(=O)OC 7a_100011215186_100000754131 [0,2,0,0,0,0|2,0,0]=4 1848 B18R0.175 COC(=O)CC(=O)CCCCCCCCCCCO 1458a_100000211351_100009812471 [0,2,0,0,0,0|0,0,2]=4 1849 B18R0.175 COC(=O)CC(C)NCCCCCCCCCCO 2230a_100000066964_100009817358 [0,2,0,0,0,0|2,0,0]=4 1850 B18R0.175 COC(=O)CC(C)NCCCCCCCCCCO 34a_100000066964_100009817358 [0,2,0,0,0,0|2,0,0]=4 1851 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCBr 34a_100009813290_100009817358 [0,2,0,0,0,0|2,0,0]=4 1852 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCBr 7a_100009813290_100009817358 [0,2,0,0,0,0|2,0,0]=4 1853 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCCl 34a_200000033068_100009817358 [0,2,0,0,0,0|2,0,0]=4 1854 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCCl 7a_200000033068_100009817358 [0,2,0,0,0,0|2,0,0]=4 1855 B18R0.175 COC(=O)CC(C)OCCCCCCCCCCN 34a_100000066964_100009817358 [0,2,0,0,0,0|2,0,0]=4 1856 B18R0.175 COC(=O)CC(C)SCCCCCCCCCCO 62a_100009813290_100009817358 [0,2,0,0,0,0|2,0,0]=4 1857 B18R0.175 COC(=O)CC(C)SCCCCCCCCCCO 62a_100009817358_200000033068 [0,2,0,0,0,0|2,0,0]=4 1858 B18R0.175 COC(=O)CN(C)CCCCCCCCCCCO 2230a_100000198492_100009812471 [0,2,0,0,0,0|2,0,0]=4 1859 B18R0.175 COC(=O)C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100000754131 [0,2,0,0,0,0|1,0,0]=3 1860 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100000754131 [0,2,0,0,0,0|1,0,0]=3 1861 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100000754131 [0,2,0,0,0,0|1,0,0]=3 1862 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100000754131 [0,2,0,0,0,0|1,0,0]=3 1863 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100000754131 [0,2,0,0,0,0|1,0,0]=3 1864 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100000754131 [0,2,0,0,0,0|1,0,0]=3 1865 B18R0.175 COC(=O)C[C@@H](O)CSCCCCCCCCCO 62a_100000754131_100009813782 [0,2,0,0,0,0|1,0,0]=3 1866 B18R0.175 COC(=O)C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100000754131 [0,2,0,0,0,0|1,0,0]=3 1867 B18R0.188 CCCCCCCCCCNCC(O)CS(=O)(=O)[O-] 34a_100000684558_100016993520 [0,2,0,0,0,0|1,0,1]=4 1868 B18R0.188 CCCCCCCCCCOCC(O)CS(=O)(=O)[O-] 34a_100000210711_100016993520 [0,2,0,0,0,0|1,0,1]=4 1869 B18R0.188 CCCCCCCCCCOCC(O)CS(=O)(=O)[O-] 7a_100000210711_100016993520 [0,2,0,0,0,0|1,0,1]=4 1870 B18R0.188 CCCCCCCCCCSCC(O)CS(=O)(=O)[O-] 62a_100016993520_100000210320 [0,2,0,0,0,0|1,0,1]=4 1871 B18R0.220 C=CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_102130925996 [0,2,0,0,0,0|2,0,0]=4 1872 B18R0.220 C=CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009814027 [0,2,0,0,0,0|0,0,1]=3 1873 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [0,2,0,0,0,0|2,0,0]=4 1874 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [0,2,0,0,0,0|0,0,0]=2 1875 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813331 [0,2,0,0,0,0|2,0,0]=4 1876 B18R0.220 CN(CCCCCCOCCCCCO)CC(=O)O 269956a_100000746989_200132310570 [0,2,0,0,0,0|2,0,0]=4 1877 B18R0.220 O=C(O)CC(O)CNCCCCCCCCCCO 269956a_100011218706_100009813290 [0,2,0,0,0,0|0,0,0]=2 1878 B18R0.3151 C=CCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100009814027 [0,2,0,0,0,0|0,0,2]=4 1879 B18R0.3151 CCCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000759014 [0,2,0,0,0,0|2,0,0]=4 1880 B18R0.3151 CCCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000759014 [0,2,0,0,0,0|1,0,1]=4 1881 B18R0.3151 CCCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100011215454 [0,2,0,0,0,0|1,0,0]=3 1882 B18R0.3151 CCCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215454 [0,2,0,0,0,0|0,0,0]=2 1883 B18R0.3151 CCN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746405_100009812471 [0,2,0,0,0,0|2,0,0]=4 1884 B18R0.3151 CC[C@H](CC(=O)O)NCCCCCCCCCCO 269956a_100016995926_100009813290 [0,2,0,0,0,0|2,0,0]=4 1885 B18R0.3151 O=C(O)C[C@@H](CO)NCCCCCCCCCCO 269956a_100009816507_100009813290 [0,2,0,0,0,0|1,0,0]=3 1886 B18R0.3151 O=C([O-])CN(CO)CCCCCCCCCCCO 269956a_100016989150_100009812471 [0,2,0,0,0,0|1,0,1]=4 1887 B18R0.7254 CCCCCCCC(=O)OCNCC(O)CC(=O)O 269956a_100011218706_100009852258 [0,2,0,0,0,0|1,0,1]=4 1888 B18R0.13761 CC(C)(CC(=O)O)NCCCCCCCCCCO 269956a_100000755897_100009813290 [0,2,0,0,0,0|2,0,0]=4 1889 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100011215454 [0,2,0,0,0,0|2,0,0]=4 1890 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215454 [0,2,0,0,0,0|1,0,0]=3 1891 B18R0.19787 CC(C(=O)O)N(C)CCCCCCCCCCCO 269956a_100000749554_100009812471 [0,2,0,0,0,0|2,0,0]=4 1892 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000759014 [0,2,0,0,0,0|2,0,0]=4 1893 B18R0.19787 CCCCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100011215454 [0,2,0,0,0,0|2,0,0]=4 1894 B18R0.11295 CCCCCCC(C)CCOC[C@H](O)CC(=O)OC 34a_200011024964_100000754131 [0,2,0,0,0,0|1,0,0]=3 1895 B18R0.11295 CCCCCCC(C)CCOC[C@H](O)CC(=O)OC 7a_200011024964_100000754131 [0,2,0,0,0,0|1,0,0]=3 1896 B18R0.10353 CCCCC(C)CCCCOC[C@H](O)CC(=O)OC 34a_200011021034_100000754131 [0,2,0,0,0,0|1,0,0]=3 1897 B18R0.10353 CCCCC(C)CCCCOC[C@H](O)CC(=O)OC 7a_200011021034_100000754131 [0,2,0,0,0,0|1,0,0]=3 1898 B18R0.19771 CCCCC(CC)CCCCNCC(O)CC(=O)O 269956a_100011218706_200012094884 [0,2,0,0,0,0|1,0,0]=3 1899 B18R0.19826 COC(=O)C[C@@H](O)COCCCCCCCC(C)C 34a_200000210741_100000754131 [0,2,0,0,0,0|1,0,0]=3 1900 B18R0.19826 COC(=O)C[C@@H](O)COCCCCCCCC(C)C 7a_200000210741_100000754131 [0,2,0,0,0,0|1,0,0]=3 1901 B18R0.183 CCCCCCCCCCNC(CC(=O)O)C(C)C 269956a_100000695669_100000210320 [0,2,0,0,0,0|2,0,0]=4 1902 B18R0.190 CCCCCCCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210320 [0,2,0,0,0,0|2,0,0]=4 1903 B18R0.190 CCCCCCCCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210320 [0,2,0,0,0,0|2,0,0]=4 1904 B18R0.19184 C#CCN(CCCCCCCCCCC)CC(=O)O 269956a_100011236498_100011215454 [0,2,0,0,0,0|2,0,0]=4 1905 B18R0.19184 C=CCN(CCCCCCCCCCC)CC(=O)O 269956a_100000744315_100011215454 [0,2,0,0,0,0|2,0,0]=4 1906 B18R0.19184 CCCCCCCCCCCN(CCO)CC(=O)O 269956a_100000747938_100011215454 [0,2,0,0,0,0|1,0,0]=3 1907 B18R0.19184 O=C(O)CN(CCO)CCCCCCCCCCO 269956a_100000747938_100009813290 [0,2,0,0,0,0|2,0,0]=4 1908 B18R0.11194 CCCCCCCCCCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011215454 [0,2,0,0,0,0|2,0,0]=4 1909 B18R0.11196 CCCCCCCCCCCC(=O)C(C)C(=O)OC 1458a_100000210736_100000211248 [0,2,0,0,0,0|0,0,2]=4 1910 B18R0.11196 CCCCCCCCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215454 [0,2,0,0,0,0|0,0,2]=4 1911 B18R0.11196 CCCCCCCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100011215454 [0,2,0,0,0,0|2,0,0]=4 1912 B18R0.11196 CCCCCCCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100011215454 [0,2,0,0,0,0|2,0,0]=4 1913 B18R0.11196 CCCCCCCCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210320 [0,2,0,0,0,0|2,0,0]=4 1914 B18R0.72222 CCCCCCCCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210320 [0,2,0,0,0,0|2,0,0]=4 1915 B18R0.45 C=COC(=O)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000036128 [0,2,0,0,0,0|0,0,2]=4 1916 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)NCO 1458a_100000210736_100000185155 [0,2,0,0,0,0|0,0,2]=4 1917 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210736_100000188475 [0,2,0,0,0,0|0,0,2]=4 1918 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215454 [0,2,0,0,0,0|0,0,2]=4 1919 B18R0.45 CCCCCCCCCCCC(O)CC(=O)NCC 240690a_100015525214_100000082106 [0,2,0,0,0,0|1,0,0]=3 1920 B18R0.45 CCCCCCCCCCCC(O)CC(=O)NNC 22a_100016993582_100000082106 [0,2,0,0,0,0|1,0,0]=3 1921 B18R0.45 CCCCCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100011215454 [0,2,0,0,0,0|2,0,0]=4 1922 B18R0.45 CCCCCCCCCCNC(C)CC(=O)OCC 2230a_100000684558_100009817359 [0,2,0,0,0,0|2,0,0]=4 1923 B18R0.45 CCCCCCCCCCOC(C)CC(=O)OCC 7a_100000210711_100009817359 [0,2,0,0,0,0|2,0,0]=4 1924 B18R0.45 CCCCCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210320 [0,2,0,0,0,0|2,0,0]=4 1925 B18R0.45 CCCCCCCCCNC[C@@H](O)CC(=O)OCC 34a_100000212291_100000688340 [0,2,0,0,0,0|1,0,0]=3 1926 B18R0.45 CCCCCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210712_100000688340 [0,2,0,0,0,0|1,0,0]=3 1927 B18R0.45 CCCCCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210712_100000688340 [0,2,0,0,0,0|1,0,0]=3 1928 B18R0.45 CCCCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210670 [0,2,0,0,0,0|1,0,0]=3 1929 B18R0.45 CCCCCCOCCOC[C@@H](O)CC(=O)OCC 34a_100000691444_100000688340 [0,2,0,0,0,0|2,0,0]=4 1930 B18R0.45 CCCCCCOCCOC[C@@H](O)CC(=O)OCC 7a_100000691444_100000688340 [0,2,0,0,0,0|2,0,0]=4 1931 B18R0.45 CCCCNCCCCOC[C@@H](O)CC(=O)OCC 34a_200011216965_100000688340 [0,2,0,0,0,0|2,0,0]=4 1932 B18R0.45 CCCCOCCCCOC[C@@H](O)CC(=O)OCC 34a_200000760531_100000688340 [0,2,0,0,0,0|2,0,0]=4 1933 B18R0.45 CCCCOCCCCOC[C@@H](O)CC(=O)OCC 7a_200000760531_100000688340 [0,2,0,0,0,0|2,0,0]=4 1934 B18R0.45 CCOC(=O)C[C@H](O)CNCCCCCCCCO 34a_102515433106_100000688340 [0,2,0,0,0,0|2,0,0]=4 1935 B18R0.45 CCOC(=O)C[C@H](O)COCCCCCCCCBr 34a_100009813846_100000688340 [0,2,0,0,0,0|2,0,0]=4 1936 B18R0.45 CCOC(=O)C[C@H](O)COCCCCCCCCBr 7a_100009813846_100000688340 [0,2,0,0,0,0|2,0,0]=4 1937 B18R0.45 CCOC(=O)C[C@H](O)COCCCCCCCCCl 34a_100000033203_100000688340 [0,2,0,0,0,0|2,0,0]=4 1938 B18R0.45 CCOC(=O)C[C@H](O)COCCCCCCCCCl 7a_100000033203_100000688340 [0,2,0,0,0,0|2,0,0]=4 1939 B18R0.45 CCOC(=O)C[C@H](O)COCCCCCCCCN 34a_102515433106_100000688340 [0,2,0,0,0,0|2,0,0]=4 1940 B18R0.45 CCOC(=O)C[C@H](O)CSCCCCCCCCO 62a_100000033203_100000688340 [0,2,0,0,0,0|2,0,0]=4 1941 B18R0.45 CCOC(=O)C[C@H](O)CSCCCCCCCCO 62a_100000688340_100000033203 [0,2,0,0,0,0|2,0,0]=4 1942 B18R0.19180 CCCCCCCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210319 [0,2,0,0,0,0|1,0,1]=4 1943 B18R0.19180 CCCCCCCCCCC(C)N(C)CC(=O)OC 270004a_100000198492_200011219864 [0,2,0,0,0,0|2,0,0]=4 1944 B18R0.19180 CCCCCCCCCCN(C)C(C)CC(=O)OC 2230a_100000207566_100009817358 [0,2,0,0,0,0|2,0,0]=4 1945 B18R0.19180 CCCCCCCCCCN(C)C(C)CC(=O)OC 269982a_100000207566_100009817358 [0,2,0,0,0,0|2,0,0]=4 1946 B16R1.262 CCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210757 [1,0,0,1,0,0|2,0,0]=4 1947 B16R1.289 CN1CCCCC1CNCC(O)CC(=O)O 269956a_100011218706_100015185383 [1,0,0,1,0,0|2,0,0]=4 1948 B16R1.393 CN1CCCC1CCNCC(O)CC(=O)O 269956a_100011218706_100000005710 [1,0,0,1,0,0|2,0,0]=4 1949 B16R1.5019 CCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210614 [1,0,0,1,0,0|2,0,0]=4 1950 B16R1.6929 O=C(O)CC(O)CNCCC1CCCCC1 269956a_100011218706_100011273959 [1,0,0,1,0,0|1,0,0]=3 1951 B16R1.6929 O=C(O)CC(O)CNCCC1CCOCC1 269956a_100011218706_100011934994 [1,0,0,1,0,0|2,0,0]=4 1952 B16R1.6929 O=C(O)CC(O)CNCCN1CCCCC1 269956a_100011218706_100000739454 [1,0,0,1,0,0|2,0,0]=4 1953 B16R1.6929 O=C(O)CC(O)CNCOC1CCCCC1 269956a_100011218706_100011935260 [1,0,0,1,0,0|2,0,0]=4 1954 B16R1.6935 O=C(O)CC(O)CNCCCC1CCCC1 269956a_100011218706_100011713738 [1,0,0,1,0,0|1,0,0]=3 1955 B16R1.6935 O=C(O)CC(O)CNCCCN1CCCC1 269956a_100011218706_100011445909 [1,0,0,1,0,0|2,0,0]=4 1956 B16R1.8383 CCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210759 [1,0,0,1,0,0|2,0,0]=4 1957 B16R1.58444 O=C(O)CC(O)CNCC1CCCCCC1 269956a_100011218706_200000696569 [1,0,0,1,0,0|1,0,0]=3 1958 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [1,0,0,1,0,0|2,0,0]=4 1959 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [1,0,0,1,0,0|2,0,0]=4 1960 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [1,0,0,1,0,0|2,0,0]=4 1961 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [1,0,0,1,0,0|2,0,0]=4 1962 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [1,0,0,1,0,0|2,0,0]=4 1963 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [1,0,0,1,0,0|2,0,0]=4 1964 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 1965 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 1966 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 1967 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [1,0,0,1,0,0|2,0,0]=4 1968 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [1,0,0,1,0,0|2,0,0]=4 1969 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [1,0,0,1,0,0|2,0,0]=4 1970 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [1,0,0,1,0,0|2,0,0]=4 1971 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [1,0,0,1,0,0|2,0,0]=4 1972 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [1,0,0,1,0,0|2,0,0]=4 1973 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [1,0,0,1,0,0|2,0,0]=4 1974 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [1,0,0,1,0,0|2,0,0]=4 1975 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [1,0,0,1,0,0|2,0,0]=4 1976 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [1,0,0,1,0,0|2,0,0]=4 1977 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [1,0,0,1,0,0|2,0,0]=4 1978 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [1,0,0,1,0,0|2,0,0]=4 1979 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [1,0,0,1,0,0|2,0,0]=4 1980 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [1,0,0,1,0,0|2,0,0]=4 1981 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [1,0,0,1,0,0|2,0,0]=4 1982 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [1,0,0,1,0,0|2,0,0]=4 1983 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [1,0,0,1,0,0|2,0,0]=4 1984 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [1,0,0,1,0,0|2,0,0]=4 1985 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [1,0,0,1,0,0|2,0,0]=4 1986 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [1,0,0,1,0,0|2,0,0]=4 1987 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [1,0,0,1,0,0|2,0,0]=4 1988 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [1,0,0,1,0,0|2,0,0]=4 1989 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [1,0,0,1,0,0|2,0,0]=4 1990 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [1,0,0,1,0,0|2,0,0]=4 1991 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [1,0,0,1,0,0|2,0,0]=4 1992 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [1,0,0,1,0,0|2,0,0]=4 1993 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [1,0,0,1,0,0|2,0,0]=4 1994 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [1,0,0,1,0,0|2,0,0]=4 1995 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [1,0,0,1,0,0|2,0,0]=4 1996 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [1,0,0,1,0,0|2,0,0]=4 1997 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [1,0,0,1,0,0|2,0,0]=4 1998 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [1,0,0,1,0,0|2,0,0]=4 1999 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [1,0,0,1,0,0|2,0,0]=4 2000 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [1,0,0,1,0,0|2,0,0]=4 2001 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [1,0,0,1,0,0|2,0,0]=4 2002 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [1,0,0,1,0,0|2,0,0]=4 2003 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [1,0,0,1,0,0|2,0,0]=4 2004 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [1,0,0,1,0,0|2,0,0]=4 2005 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [1,0,0,1,0,0|2,0,0]=4 2006 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [1,0,0,1,0,0|2,0,0]=4 2007 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [1,0,0,1,0,0|2,0,0]=4 2008 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [1,0,0,1,0,0|2,0,0]=4 2009 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [1,0,0,1,0,0|2,0,0]=4 2010 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [1,0,0,1,0,0|2,0,0]=4 2011 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [1,0,0,1,0,0|2,0,0]=4 2012 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [1,0,0,1,0,0|2,0,0]=4 2013 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [1,0,0,1,0,0|1,0,1]=4 2014 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [1,0,0,1,0,0|2,0,0]=4 2015 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [1,0,0,1,0,0|2,0,0]=4 2016 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [1,0,0,1,0,0|2,0,0]=4 2017 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [1,0,0,1,0,0|2,0,0]=4 2018 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [1,0,0,1,0,0|2,0,0]=4 2019 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [1,0,0,1,0,0|2,0,0]=4 2020 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [1,0,0,1,0,0|2,0,0]=4 2021 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [1,0,0,1,0,0|2,0,0]=4 2022 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [1,0,0,1,0,0|2,0,0]=4 2023 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [1,0,0,1,0,0|2,0,0]=4 2024 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [1,0,0,1,0,0|2,0,0]=4 2025 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [1,0,0,1,0,0|2,0,0]=4 2026 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [1,0,0,1,0,0|2,0,0]=4 2027 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [1,0,0,1,0,0|2,0,0]=4 2028 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [1,0,0,1,0,0|2,0,0]=4 2029 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [1,0,0,1,0,0|2,0,0]=4 2030 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [1,0,0,1,0,0|2,0,0]=4 2031 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [1,0,0,1,0,0|2,0,0]=4 2032 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [1,0,0,1,0,0|2,0,0]=4 2033 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [1,0,0,1,0,0|2,0,0]=4 2034 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [1,0,0,1,0,0|2,0,0]=4 2035 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [1,0,0,1,0,0|2,0,0]=4 2036 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [1,0,0,1,0,0|2,0,0]=4 2037 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [1,0,0,1,0,0|2,0,0]=4 2038 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [1,0,0,1,0,0|2,0,0]=4 2039 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [1,0,0,1,0,0|2,0,0]=4 2040 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [1,0,0,1,0,0|2,0,0]=4 2041 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [1,0,0,1,0,0|1,0,1]=4 2042 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [1,0,0,1,0,0|1,0,0]=3 2043 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [1,0,0,1,0,0|2,0,0]=4 2044 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [1,0,0,1,0,0|2,0,0]=4 2045 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [1,0,0,1,0,0|2,0,0]=4 2046 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [1,0,0,1,0,0|2,0,0]=4 2047 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [1,0,0,1,0,0|2,0,0]=4 2048 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [1,0,0,1,0,0|2,0,0]=4 2049 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [1,0,0,1,0,0|2,0,0]=4 2050 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [1,0,0,1,0,0|2,0,0]=4 2051 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [1,0,0,1,0,0|2,0,0]=4 2052 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [1,0,0,1,0,0|1,0,0]=3 2053 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [1,0,0,1,0,0|2,0,0]=4 2054 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [1,0,0,1,0,0|2,0,0]=4 2055 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [1,0,0,1,0,0|2,0,0]=4 2056 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [1,0,0,1,0,0|1,0,0]=3 2057 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [1,0,0,1,0,0|2,0,0]=4 2058 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [1,0,0,1,0,0|2,0,0]=4 2059 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [1,0,0,1,0,0|2,0,0]=4 2060 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [1,0,0,1,0,0|2,0,0]=4 2061 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [1,0,0,1,0,0|2,0,0]=4 2062 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [1,0,0,1,0,0|2,0,0]=4 2063 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [1,0,0,1,0,0|2,0,0]=4 2064 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [1,0,0,1,0,0|2,0,0]=4 2065 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [1,0,0,1,0,0|2,0,0]=4 2066 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [1,0,0,1,0,0|1,0,0]=3 2067 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [1,0,0,1,0,0|2,0,0]=4 2068 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [1,0,0,1,0,0|2,0,0]=4 2069 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [1,0,0,1,0,0|2,0,0]=4 2070 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [1,0,0,1,0,0|2,0,0]=4 2071 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [1,0,0,1,0,0|2,0,0]=4 2072 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [1,0,0,1,0,0|2,0,0]=4 2073 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [1,0,0,1,0,0|1,0,0]=3 2074 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [1,0,0,1,0,0|2,0,0]=4 2075 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [1,0,0,1,0,0|2,0,0]=4 2076 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [1,0,0,1,0,0|2,0,0]=4 2077 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [1,0,0,1,0,0|2,0,0]=4 2078 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [1,0,0,1,0,0|1,0,0]=3 2079 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [1,0,0,1,0,0|2,0,0]=4 2080 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [1,0,0,1,0,0|2,0,0]=4 2081 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [1,0,0,1,0,0|2,0,0]=4 2082 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [1,0,0,1,0,0|2,0,0]=4 2083 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [1,0,0,1,0,0|2,0,0]=4 2084 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [1,0,0,1,0,0|2,0,0]=4 2085 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [1,0,0,1,0,0|2,0,0]=4 2086 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [1,0,0,1,0,0|2,0,0]=4 2087 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [1,0,0,1,0,0|2,0,0]=4 2088 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [1,0,0,1,0,0|2,0,0]=4 2089 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [1,0,0,1,0,0|2,0,0]=4 2090 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [1,0,0,1,0,0|2,0,0]=4 2091 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [1,0,0,1,0,0|2,0,0]=4 2092 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 2093 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 2094 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 2095 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [1,0,0,1,0,0|2,0,0]=4 2096 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [1,0,0,1,0,0|2,0,0]=4 2097 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [1,0,0,1,0,0|2,0,0]=4 2098 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [1,0,0,1,0,0|2,0,0]=4 2099 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [1,0,0,1,0,0|2,0,0]=4 2100 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [1,0,0,1,0,0|1,0,0]=3 2101 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [1,0,0,1,0,0|2,0,0]=4 2102 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [1,0,0,1,0,0|2,0,0]=4 2103 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [1,0,0,1,0,0|2,0,0]=4 2104 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [1,0,0,1,0,0|2,0,0]=4 2105 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [1,0,0,1,0,0|2,0,0]=4 2106 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [1,0,0,1,0,0|2,0,0]=4 2107 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [1,0,0,1,0,0|2,0,0]=4 2108 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [1,0,0,1,0,0|2,0,0]=4 2109 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [1,0,0,1,0,0|2,0,0]=4 2110 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [1,0,0,1,0,0|2,0,0]=4 2111 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [1,0,0,1,0,0|2,0,0]=4 2112 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [1,0,0,1,0,0|2,0,0]=4 2113 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [1,0,0,1,0,0|2,0,0]=4 2114 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [1,0,0,1,0,0|2,0,0]=4 2115 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [1,0,0,1,0,0|2,0,0]=4 2116 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [1,0,0,1,0,0|2,0,0]=4 2117 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [1,0,0,1,0,0|2,0,0]=4 2118 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [1,0,0,1,0,0|2,0,0]=4 2119 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [1,0,0,1,0,0|2,0,0]=4 2120 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [1,0,0,1,0,0|2,0,0]=4 2121 B16R1.4131 CC(CNCCCC1CCCCC1)C(=O)O 269956a_100000749485_100011713725 [0,0,0,1,1,0|2,0,0]=4 2122 B16R1.4131 O=C(O)C(F)CNCCCC1CCCCC1 269956a_100000084737_100011713725 [0,0,0,1,1,0|2,0,0]=4 2123 B16R1.8528 CCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210757 [0,0,0,1,1,0|2,0,0]=4 2124 B16R1.12877 CCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210614 [0,0,0,1,1,0|2,0,0]=4 2125 B16R1.17546 CCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210759 [0,0,0,1,1,0|2,0,0]=4 2126 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210757 [0,0,0,1,1,0|2,0,0]=4 2127 B16R1.23446 CCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210614 [0,0,0,1,1,0|2,0,0]=4 2128 B18R1.324 CCCCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210759 [0,0,0,1,0,1|2,0,0]=4 2129 B18R1.4935 CCCC1CCCCC1OCC(O)COC(=O)C 34a_100011217265_200000139349 [0,0,0,1,0,1|2,0,0]=4 2130 B18R1.4935 CCCC1CCCCC1OCC(O)COC(=O)C 7a_100011217265_200000139349 [0,0,0,1,0,1|2,0,0]=4 2131 B18R1.5072 CC(=O)OCC(O)CNCCCC1CCCCC1 34a_100011211642_200000139349 [0,0,0,1,0,1|2,0,0]=4 2132 B18R1.5072 CC(=O)OCC(O)COCCCC1CCCCC1 34a_100000198086_200000139349 [0,0,0,1,0,1|2,0,0]=4 2133 B18R1.5072 CC(=O)OCC(O)COCCCC1CCCCC1 7a_100000198086_200000139349 [0,0,0,1,0,1|2,0,0]=4 2134 B18R1.5072 CC(=O)OCC(O)CSCCCC1CCCCC1 62a_100011713725_200000139349 [0,0,0,1,0,1|2,0,0]=4 2135 B18R1.5072 CC(=O)OCC(O)CSCCCC1CCCCC1 62a_200000139349_100011713725 [0,0,0,1,0,1|2,0,0]=4 2136 B18R1.5433 CCCCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100011214924 [0,0,0,1,0,1|2,0,0]=4 2137 B18R1.5433 CCCCCCCCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210670 [0,0,0,1,0,1|2,0,0]=4 2138 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210670 [0,0,0,1,0,1|2,0,0]=4 2139 B18R1.5433 CCCCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210670 [0,0,0,1,0,1|1,0,0]=3 2140 B18R1.5433 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCCCO)O 269956a_100000750407_100000033203 [0,0,0,1,0,1|2,0,0]=4 2141 B18R1.13152 CCCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210320 [0,0,0,1,0,1|2,0,0]=4 2142 B18R1.58550 CC(=O)OCC(O)CNCCC1CCCCCC1 34a_100011532351_200000139349 [0,0,0,1,0,1|2,0,0]=4 2143 B18R1.174775 CC(=O)OCC(O)COCC1CCCCCCC1 34a_100011216312_200000139349 [0,0,0,1,0,1|2,0,0]=4 2144 B18R1.174775 CC(=O)OCC(O)COCC1CCCCCCC1 7a_100011216312_200000139349 [0,0,0,1,0,1|2,0,0]=4 2145 B18R1.35427 CCCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210670 [0,1,0,1,0,0|1,0,0]=3 2146 B18R1.35427 O=C(O)CC1CCN(C1)CCCCCCCCO 269956a_100000719201_100000033203 [0,1,0,1,0,0|2,0,0]=4 2147 B18R1.1260 CCCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011215454 [0,1,0,1,0,0|2,0,0]=4 2148 B18R1.1260 CCCCCCCCCCCNC1COC(=O)O1 34a_200011215754_100000032252 [0,1,0,1,0,0|2,0,0]=4 2149 B18R1.1260 CCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215454 [0,1,0,1,0,0|2,0,0]=4 2150 B18R1.1260 CCCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100011215454 [0,1,0,1,0,0|2,0,0]=4 2151 B18R1.1260 CCCCCCCCCCCOC1COC(=O)O1 34a_100000210809_100000032252 [0,1,0,1,0,0|2,0,0]=4 2152 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210320 [0,1,0,1,0,0|2,0,0]=4 2153 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210320 [0,1,0,1,0,0|2,0,0]=4 2154 B18R1.1260 CCCCCCCCCCNCC1COC(=O)O1 34a_100000684558_100000073702 [0,1,0,1,0,0|2,0,0]=4 2155 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000684558_100015307671 [0,1,0,1,0,0|2,0,0]=4 2156 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000684558_100015307671 [0,1,0,1,0,0|2,0,0]=4 2157 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210320 [0,1,0,1,0,0|2,0,0]=4 2158 B18R1.1260 CCCCCCCCCCOCC1COC(=O)O1 34a_100000210711_100000073702 [0,1,0,1,0,0|2,0,0]=4 2159 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210711_100015307671 [0,1,0,1,0,0|2,0,0]=4 2160 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210711_100015307671 [0,1,0,1,0,0|2,0,0]=4 2161 B18R1.1260 CCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210320 [0,1,0,1,0,0|2,0,0]=4 2162 B18R1.1260 CCCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210320 [0,1,0,1,0,0|2,0,0]=4 2163 B18R1.9340 O=C(O)CC(O)CNCCCOC1CCCCO1 269956a_100011218706_100000700653 [0,1,0,1,0,0|2,0,0]=4 2164 B18R1.40552 CCCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210320 [0,1,0,1,0,0|1,0,0]=3 2165 B18R1.40552 O=C(O)CC1CN(C1)CCCCCCCCCO 269956a_100016993960_100009813782 [0,1,0,1,0,0|2,0,0]=4 2166 B18R1.41031 CCCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210759 [0,1,0,1,0,0|1,0,0]=3 2167 B18R1.41031 CCCCCCCCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210759 [0,1,0,1,0,0|2,0,0]=4 2168 B18R1.41031 COCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100011998445 [0,1,0,1,0,0|2,0,0]=4 2169 B18R1.41031 O=C(O)CC1CCCN(C1)CCCCCCCO 269956a_100015207179_100000760002 [0,1,0,1,0,0|2,0,0]=4 2170 B18R1.5220 CCCCCCC(C)N1CCCC(C1)CC(=O)O 269956a_100015207179_100011215978 [0,1,0,1,0,0|2,0,0]=4 2171 B18R1.21078 CC(C)CCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210682 [0,1,0,1,0,0|2,0,0]=4 2172 B18R1.1108 CCCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011215454 [0,1,0,1,0,0|2,0,0]=4 2173 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [0,1,0,1,0,0|2,0,0]=4 2174 B18R1.252921 CCCCCCCCCNCC1(CC1)CC(=O)O 269956a_100020588786_100000210670 [0,1,0,1,0,0|2,0,0]=4 2175 B18R1.10550 CCCCCCCC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_200011218727 [0,1,0,1,0,0|2,0,0]=4 2176 B18R1.769 COC(=O)C[C@@H](O)CNCCN1CCCCC1C 34a_100000739827_100000754131 [0,1,0,1,0,0|2,0,0]=4 2177 B18R1.769 COC(=O)C[C@@H](O)COCCN1CCCCC1C 34a_100011305533_100000754131 [0,1,0,1,0,0|2,0,0]=4 2178 B18R1.769 COC(=O)C[C@@H](O)CSCCC1CCCCN1C 62a_100000211948_100000754131 [0,1,0,1,0,0|2,0,0]=4 2179 B18R1.769 COC(=O)C[C@@H](O)CSCCC1CCCCN1C 62a_100000754131_100000211948 [0,1,0,1,0,0|2,0,0]=4 2180 B18R1.803 COC(=O)CC(C)OCCCCC1CCCCC1 34a_100011215267_100009817358 [0,1,0,1,0,0|2,0,0]=4 2181 B18R1.803 COC(=O)CC(C)OCCCCC1CCCCC1 7a_100011215267_100009817358 [0,1,0,1,0,0|2,0,0]=4 2182 B18R1.803 COC(=O)C[C@@H](O)CNCCCC1CCCCC1 34a_100011211642_100000754131 [0,1,0,1,0,0|1,0,0]=3 2183 B18R1.803 COC(=O)C[C@@H](O)CNCCOC1CCCCC1 34a_100015206981_100000754131 [0,1,0,1,0,0|2,0,0]=4 2184 B18R1.803 COC(=O)C[C@@H](O)COCCCC1CCCCC1 34a_100000198086_100000754131 [0,1,0,1,0,0|1,0,0]=3 2185 B18R1.803 COC(=O)C[C@@H](O)COCCCC1CCCCC1 7a_100000198086_100000754131 [0,1,0,1,0,0|1,0,0]=3 2186 B18R1.803 COC(=O)C[C@@H](O)COCCCC1CCCCN1 34a_100011934581_100000754131 [0,1,0,1,0,0|2,0,0]=4 2187 B18R1.803 COC(=O)C[C@@H](O)COCCCC1CCCNC1 34a_100150707839_100000754131 [0,1,0,1,0,0|2,0,0]=4 2188 B18R1.803 COC(=O)C[C@@H](O)COCCCC1CCNCC1 34a_100016988962_100000754131 [0,1,0,1,0,0|2,0,0]=4 2189 B18R1.803 COC(=O)C[C@@H](O)COCCCN1CCCCC1 34a_100000212458_100000754131 [0,1,0,1,0,0|2,0,0]=4 2190 B18R1.803 COC(=O)C[C@@H](O)COCCNC1CCCCC1 34a_100000200466_100000754131 [0,1,0,1,0,0|2,0,0]=4 2191 B18R1.803 COC(=O)C[C@@H](O)COCCOC1CCCCC1 34a_100011249652_100000754131 [0,1,0,1,0,0|2,0,0]=4 2192 B18R1.803 COC(=O)C[C@@H](O)COCCOC1CCCCC1 7a_100011249652_100000754131 [0,1,0,1,0,0|2,0,0]=4 2193 B18R1.803 COC(=O)C[C@@H](O)CSCCCC1CCCCC1 62a_100000754131_100011713725 [0,1,0,1,0,0|1,0,0]=3 2194 B18R1.803 COC(=O)C[C@@H](O)CSCCCC1CCCCC1 62a_100011713725_100000754131 [0,1,0,1,0,0|1,0,0]=3 2195 B18R1.803 COC(=O)C[C@@H](O)CSCCCN1CCCCC1 62a_100000754131_100000007876 [0,1,0,1,0,0|2,0,0]=4 2196 B18R1.803 COC(=O)C[C@@H](O)CSCCCN1CCCCC1 62a_100132302099_100000754131 [0,1,0,1,0,0|2,0,0]=4 2197 B18R1.803 COC(=O)C[C@@H](O)CSCCOC1CCCCC1 62a_100000754131_100011211530 [0,1,0,1,0,0|2,0,0]=4 2198 B18R1.803 COC(=O)C[C@@H](O)CSCCOC1CCCCC1 62a_100011211530_100000754131 [0,1,0,1,0,0|2,0,0]=4 2199 B18R1.817 COC(=O)C[C@@H](O)CNCCCOC1CCCC1 34a_100000747560_100000754131 [0,1,0,1,0,0|2,0,0]=4 2200 B18R1.4108 CCCCCCCN1CCCC(C1)CC(=O)OC 2230a_100016989293_100000210681 [0,1,0,1,0,0|2,0,0]=4 2201 B18R1.4108 CCCCCCCN1CCCC(C1)CC(=O)OC 269982a_100016989293_100000210681 [0,1,0,1,0,0|2,0,0]=4 2202 B18R1.4108 CCCCCCOC1CCCC(C1)CC(=O)OC 7a_200010992784_100000210314 [0,1,0,1,0,0|2,0,0]=4 2203 B18R1.7315 CCN1CCCCC1CNC[C@H](O)CC(=O)OC 34a_100000754393_100000754131 [0,1,0,1,0,0|2,0,0]=4 2204 B18R1.7315 CCN1CCCCC1COC[C@H](O)CC(=O)OC 34a_100000225091_100000754131 [0,1,0,1,0,0|2,0,0]=4 2205 B18R1.7315 CCN1CCCCC1COC[C@H](O)CC(=O)OC 7a_100000225091_100000754131 [0,1,0,1,0,0|2,0,0]=4 2206 B18R1.8741 CCCCCCCCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210759 [0,1,0,1,0,0|2,0,0]=4 2207 B18R1.8741 CCCCCCCCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000210759 [0,1,0,1,0,0|2,0,0]=4 2208 B18R1.13159 CCCCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011215454 [0,1,0,1,0,0|2,0,0]=4 2209 B18R1.13682 CCCCCCC1CCCC1N(C)CC(=O)OC 270004a_100000198492_100000189428 [0,1,0,1,0,0|2,0,0]=4 2210 B18R1.23678 CCCC1CCCCC1OC[C@H](O)CC(=O)OC 34a_100011217265_100000754131 [0,1,0,1,0,0|1,0,0]=3 2211 B18R1.23678 CCCC1CCCCC1OC[C@H](O)CC(=O)OC 7a_100011217265_100000754131 [0,1,0,1,0,0|1,0,0]=3 2212 B18R1.24134 CCCN1CCCC1COC[C@H](O)CC(=O)OC 34a_200000694710_100000754131 [0,1,0,1,0,0|2,0,0]=4 2213 B18R1.24134 CCCN1CCCC1COC[C@H](O)CC(=O)OC 7a_200000694710_100000754131 [0,1,0,1,0,0|2,0,0]=4 2214 B18R1.28350 COC(=O)C[C@@H](O)CNCCC1CCCCCC1 34a_100011532351_100000754131 [0,1,0,1,0,0|1,0,0]=3 2215 B18R1.28350 COC(=O)C[C@@H](O)COCCN1CCCCCC1 34a_100000238007_100000754131 [0,1,0,1,0,0|2,0,0]=4 2216 B18R1.28350 COC(=O)C[C@@H](O)CSCCN1CCCCCC1 62a_100000722644_100000754131 [0,1,0,1,0,0|2,0,0]=4 2217 B18R1.28350 COC(=O)C[C@@H](O)CSCCN1CCCCCC1 62a_100000754131_100000722644 [0,1,0,1,0,0|2,0,0]=4 2218 B18R1.28556 COC(=O)CC(C)NCCC1CCCCCCC1 2230a_100011532352_100009817358 [0,1,0,1,0,0|2,0,0]=4 2219 B18R1.28556 COC(=O)CC(C)NCCC1CCCCCCC1 34a_100011532352_100009817358 [0,1,0,1,0,0|2,0,0]=4 2220 B18R1.28556 COC(=O)C[C@@H](O)COCC1CCCCCCC1 34a_100011216312_100000754131 [0,1,0,1,0,0|1,0,0]=3 2221 B18R1.28556 COC(=O)C[C@@H](O)COCC1CCCCCCC1 7a_100011216312_100000754131 [0,1,0,1,0,0|1,0,0]=3 2222 B18R1.35422 CCCCCCCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210670 [0,1,0,1,0,0|2,0,0]=4 2223 B18R1.36298 COC(=O)C[C@@H](O)CN1CCCCC1CCCO 34a_100011934581_100000754131 [0,1,0,1,0,0|2,0,0]=4 2224 B18R1.36298 COCCC1CCCCN1C[C@H](O)CC(=O)OC 34a_100015186528_100000754131 [0,1,0,1,0,0|2,0,0]=4 2225 B18R2.312 O=C(O)CC1CCCN(C1)CC2CCCCC2 269956a_100015207179_100000211423 [0,0,0,2,0,0|2,0,0]=4 2226 B18R2.9880 O=C(O)CC1CCN(C1)CCC2CCCCC2 269956a_100000719201_100011273959 [0,0,0,2,0,0|2,0,0]=4 2227 B18R2.72532 O=C(O)CC1CN(C1)CCCC2CCCCC2 269956a_100016993960_100011713725 [0,0,0,2,0,0|2,0,0]=4 2228 B18R2.9883 O=C(O)CC1CCN(C1)CCCC2CCCC2 269956a_100000719201_100011713738 [0,0,0,2,0,0|2,0,0]=4 2229 B18R2.9903 O=C(O)CC1CCCN(C1)CCC2CCCC2 269956a_100015207179_100000760354 [0,0,0,2,0,0|2,0,0]=4 2230 B18R2.100738 O=C(O)CC1CCN(C1)CC2CCCCCC2 269956a_100000719201_200000696569 [0,0,0,2,0,0|2,0,0]=4 2231 B18R2.100849 O=C(O)CC1CCCN(C1)C2CCCCCC2 269956a_100015207179_100011217769 [0,0,0,2,0,0|2,0,0]=4 2232 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [1,0,0,0,1,0|2,0,0]=4 2233 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [1,0,0,0,1,0|2,0,0]=4 2234 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [1,0,0,0,1,0|2,0,0]=4 2235 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 34a_100011217895_100000731001 [0,0,0,0,0,2|2,0,0]=4 2236 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 7a_100011217895_100000744528 [0,0,0,0,0,2|2,0,0]=4 2237 B18R0.233 CCCCCCCCCCCC(C)OCOC(=O)C 34a_100011217895_100009813279 [0,0,0,0,0,2|2,0,0]=4 2238 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [0,0,0,0,0,2|2,0,0]=4