0 B15R0.164 C=C(Br)CCOCCCCCCCCCC 34a_100009813270_100000210320 [0,0,0,0,0,0|3,0,1]=4 1 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,0,0,0,0,0|3,0,1]=4 2 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,0,0,0,0,0|3,0,1]=4 3 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [0,0,0,0,0,0|3,0,1]=4 4 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [0,0,0,0,0,0|3,0,1]=4 5 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [0,0,0,0,0,0|3,0,1]=4 6 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [0,0,0,0,0,0|3,0,1]=4 7 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,0,0,0,0,0|2,0,2]=4 8 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,0,0,0,0,0|3,0,1]=4 9 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,0,0,0,0,0|3,0,1]=4 10 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,0,0,0,0,0|3,0,1]=4 11 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,0,0,0,0,0|3,0,1]=4 12 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,0,0,0,0,0|3,0,1]=4 13 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,0,0,0,0,0|3,0,1]=4 14 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,0,0,0,0,0|3,0,1]=4 15 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,0,0,0,0,0|3,0,1]=4 16 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,0,0,0,0,0|3,0,1]=4 17 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,0,0,0,0,0|3,0,1]=4 18 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,0,0,0,0,0|3,0,1]=4 19 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,0,0,0,0,0|3,0,1]=4 20 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,0,0,0,0,0|3,0,1]=4 21 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,0,0,0,0,0|3,0,1]=4 22 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,0,0,0,0,0|3,0,1]=4 23 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,0,0,0,0,0|3,0,1]=4 24 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,0,0,0,0,0|2,0,2]=4 25 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,0,0,0,0,0|2,0,2]=4 26 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,0,0,0,0,0|1,0,3]=4 27 B15R0.164 CCCCCCCCC/C=C/COC(C)C 34a_100015232335_100000210206 [0,0,0,0,0,0|3,0,1]=4 28 B15R0.164 CCCCCCCCC/C=C/COC(C)C 7a_100015232335_100000210206 [0,0,0,0,0,0|3,0,1]=4 29 B15R0.164 CCCCCCCCC=CC=NNC(=O)C 4a_100000189765_200015245481 [0,0,0,0,0,0|3,0,1]=4 30 B15R0.164 CCCCCCCCCC=NNCC(C)O 4a_200000730056_100000210895 [0,0,0,0,0,0|3,0,1]=4 31 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,0,0,0,0,0|3,0,1]=4 32 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [0,0,0,0,0,0|1,0,2]=3 33 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [0,0,0,0,0,0|1,0,2]=3 34 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [0,0,0,0,0,0|1,0,2]=3 35 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,0,0,0,0,0|2,0,2]=4 36 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,0,0,0,0,0|2,0,2]=4 37 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,0,0,0,0,0|2,0,2]=4 38 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,0,0,0,0,0|2,0,2]=4 39 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,0,0,0,0,0|2,0,2]=4 40 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,0,0,0,0,0|2,0,2]=4 41 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,0,0,0,0,0|2,0,2]=4 42 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,0,0,0,0,0|1,0,2]=3 43 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,0,0,0,0,0|1,0,3]=4 44 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,0,0,0,0,0|2,0,2]=4 45 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,0,0,0,0,0|2,0,2]=4 46 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,0,0,0,0,0|2,0,2]=4 47 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,0,0,0,0,0|1,0,3]=4 48 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,0,0,0,0,0|2,0,2]=4 49 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,0,0,0,0,0|1,0,3]=4 50 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,0,0,0,0,0|2,0,1]=3 51 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,0,0,0,0,0|2,0,1]=3 52 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,0,0,0,0,0|2,0,2]=4 53 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,0,0,0,0,0|2,0,2]=4 54 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,0,0,0,0,0|2,0,2]=4 55 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,0,0,0,0,0|3,0,1]=4 56 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,0,0,0,0,0|2,0,1]=3 57 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,0,0,0,0,0|2,0,1]=3 58 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,0,0,0,0,0|2,0,1]=3 59 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,0,0,0,0,0|2,0,1]=3 60 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,0,0,0,0,0|2,0,1]=3 61 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,0,0,0,0,0|2,0,1]=3 62 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,0,0,0,0,0|2,0,1]=3 63 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,0,0,0,0,0|2,0,1]=3 64 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,0,0,0,0,0|2,0,2]=4 65 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,0,0,0,0,0|2,0,2]=4 66 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,0,0,0,0,0|3,0,1]=4 67 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,0,0,0,0,0|2,0,1]=3 68 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,0,0,0,0,0|2,0,1]=3 69 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,0,0,0,0,0|2,0,2]=4 70 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,0,0,0,0,0|3,0,1]=4 71 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,0,0,0,0,0|2,0,1]=3 72 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,0,0,0,0,0|2,0,1]=3 73 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,0,0,0,0,0|2,0,1]=3 74 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,0,0,0,0,0|2,0,2]=4 75 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,0,0,0,0,0|2,0,2]=4 76 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,0,0,0,0,0|3,0,1]=4 77 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,0,0,0,0,0|3,0,1]=4 78 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,0,0,0,0,0|3,0,1]=4 79 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,0,0,0,0,0|3,0,1]=4 80 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,0,0,0,0,0|3,0,1]=4 81 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,0,0,0,0,0|3,0,1]=4 82 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,0,0,0,0,0|3,0,1]=4 83 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,0,0,0,0,0|2,0,1]=3 84 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,0,0,0,0,0|2,0,1]=3 85 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,0,0,0,0,0|2,0,1]=3 86 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,0,0,0,0,0|2,0,1]=3 87 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,0,0,0,0,0|2,0,1]=3 88 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,0,0,0,0,0|2,0,1]=3 89 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,0,0,0,0,0|2,0,2]=4 90 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,0,0,0,0,0|2,0,2]=4 91 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,0,0,0,0,0|2,0,2]=4 92 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,0,0,0,0,0|3,0,1]=4 93 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,0,0,0,0,0|3,0,1]=4 94 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,0,0,0,0,0|3,0,1]=4 95 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,0,0,0,0,0|3,0,1]=4 96 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,0,0,0,0,0|3,0,1]=4 97 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,0,0,0,0,0|3,0,1]=4 98 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,0,0,0,0,0|3,0,1]=4 99 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,0,0,0,0,0|3,0,1]=4 100 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,0,0,0,0,0|3,0,1]=4 101 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,0,0,0,0,0|2,0,1]=3 102 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,0,0,0,0,0|2,0,1]=3 103 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,0,0,0,0,0|2,0,2]=4 104 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,0,0,0,0,0|3,0,1]=4 105 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,0,0,0,0,0|3,0,1]=4 106 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,0,0,0,0,0|3,0,1]=4 107 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,0,0,0,0,0|3,0,1]=4 108 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,0,0,0,0,0|2,0,2]=4 109 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,0,0,0,0,0|2,0,2]=4 110 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,0,0,0,0,0|2,0,2]=4 111 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,0,0,0,0,0|2,0,2]=4 112 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,0,0,0,0,0|2,0,2]=4 113 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,0,0,0,0,0|2,0,2]=4 114 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,0,0,0,0,0|2,0,2]=4 115 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,0,0,0,0,0|2,0,2]=4 116 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,0,0,0,0,0|2,0,2]=4 117 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,0,0,0,0,0|2,0,2]=4 118 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,0,0,0,0,0|2,0,2]=4 119 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,0,0,0,0,0|2,0,2]=4 120 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,0,0,0,0,0|2,0,2]=4 121 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,0,0,0,0,0|2,0,2]=4 122 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,0,0,0,0,0|1,0,3]=4 123 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,0,0,0,0,0|2,0,2]=4 124 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,0,0,0,0,0|2,0,2]=4 125 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,0,0,0,0,0|3,0,1]=4 126 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,0,0,0,0,0|3,0,1]=4 127 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,0,0,0,0,0|3,0,1]=4 128 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,0,0,0,0,0|3,0,1]=4 129 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,0,0,0,0,0|3,0,1]=4 130 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,0,0,0,0,0|3,0,1]=4 131 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,0,0,0,0,0|3,0,1]=4 132 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,0,0,0,0,0|3,0,1]=4 133 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,0,0,0,0,0|3,0,1]=4 134 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,0,0,0,0,0|3,0,1]=4 135 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,0,0,0,0,0|2,0,2]=4 136 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,0,0,0,0,0|2,0,2]=4 137 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,0,0,0,0,0|2,0,2]=4 138 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,0,0,0,0,0|2,0,2]=4 139 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,0,0,0,0,0|3,0,1]=4 140 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,0,0,0,0,0|3,0,1]=4 141 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,0,0,0,0,0|3,0,1]=4 142 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,0,0,0,0,0|3,0,1]=4 143 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,0,0,0,0,0|3,0,1]=4 144 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,0,0,0,0,0|3,0,1]=4 145 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,0,0,0,0,0|3,0,1]=4 146 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,0,0,0,0,0|3,0,1]=4 147 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,0,0,0,0,0|3,0,1]=4 148 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,0,0,0,0,0|3,0,1]=4 149 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,0,0,0,0,0|3,0,1]=4 150 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,0,0,0,0,0|3,0,1]=4 151 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,0,0,0,0,0|3,0,1]=4 152 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,0,0,0,0,0|3,0,1]=4 153 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,0,0,0,0,0|3,0,1]=4 154 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,0,0,0,0,0|3,0,1]=4 155 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,0,0,0,0,0|3,0,1]=4 156 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,0,0,0,0,0|3,0,1]=4 157 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,0,0,0,0,0|3,0,1]=4 158 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,0,0,0,0,0|3,0,1]=4 159 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,0,0,0,0,0|2,0,2]=4 160 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,0,0,0,0,0|3,0,1]=4 161 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [1,0,0,0,0,0|2,0,1]=4 162 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [1,0,0,0,0,0|2,0,1]=4 163 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [1,0,0,0,0,0|2,0,1]=4 164 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [1,0,0,0,0,0|2,0,1]=4 165 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [1,0,0,0,0,0|2,0,1]=4 166 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [1,0,0,0,0,0|2,0,1]=4 167 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [1,0,0,0,0,0|2,0,1]=4 168 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [1,0,0,0,0,0|2,0,1]=4 169 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [1,0,0,0,0,0|2,0,1]=4 170 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [1,0,0,0,0,0|2,0,1]=4 171 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [1,0,0,0,0,0|2,0,1]=4 172 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [1,0,0,0,0,0|2,0,1]=4 173 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [1,0,0,0,0,0|2,0,1]=4 174 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [1,0,0,0,0,0|2,0,1]=4 175 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [1,0,0,0,0,0|2,0,1]=4 176 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [1,0,0,0,0,0|2,0,1]=4 177 B14R0.392 CCCC/C=C/CCCCOCCCC 34a_200020645093_100000210210 [1,0,0,0,0,0|2,0,1]=4 178 B14R0.392 CCCC/C=C/CCCCOCCCC 7a_200020645093_100000210211 [1,0,0,0,0,0|2,0,1]=4 179 B14R0.392 CCCC/C=C/COCCCCCCC 34a_200016272032_100000210614 [1,0,0,0,0,0|2,0,1]=4 180 B14R0.392 CCCC/C=C/COCCCCCCC 7a_200016272032_100000210614 [1,0,0,0,0,0|2,0,1]=4 181 B14R0.392 CCCC/C=C\CCOCCCCCC 34a_200016286491_100000210314 [1,0,0,0,0,0|2,0,1]=4 182 B14R0.392 CCCC/C=C\CCOCCCCCC 7a_200016286491_100000210314 [1,0,0,0,0,0|2,0,1]=4 183 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [1,0,0,0,0,0|1,0,2]=4 184 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [1,0,0,0,0,0|1,0,2]=4 185 B14R0.392 CCCCCCCCC/C=C/COCC 34a_100015232335_100000210202 [1,0,0,0,0,0|2,0,1]=4 186 B14R0.392 CCCCCCCCC/C=C/COCC 7a_100015232335_100000210202 [1,0,0,0,0,0|2,0,1]=4 187 B14R0.392 CCCCCCCCC/C=C/COCF 34a_100015232335_100015361967 [1,0,0,0,0,0|2,0,1]=4 188 B14R0.392 CCCCCCCCC/C=C/COCF 7a_100015232335_100015361967 [1,0,0,0,0,0|2,0,1]=4 189 B14R0.392 CCCCCCCCCC=NNCCO 4a_100000210001_100000210895 [1,0,0,0,0,0|2,0,1]=4 190 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [1,0,0,0,0,0|1,0,2]=4 191 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [1,0,0,0,0,0|1,0,2]=4 192 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [1,0,0,0,0,0|1,0,2]=4 193 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [1,0,0,0,0,0|1,0,2]=4 194 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [1,0,0,0,0,0|1,0,2]=4 195 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [1,0,0,0,0,0|1,0,2]=4 196 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [1,0,0,0,0,0|1,0,2]=4 197 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [1,0,0,0,0,0|1,0,2]=4 198 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [1,0,0,0,0,0|1,0,2]=4 199 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [1,0,0,0,0,0|1,0,2]=4 200 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [1,0,0,0,0,0|1,0,1]=3 201 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [1,0,0,0,0,0|1,0,2]=4 202 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [1,0,0,0,0,0|1,0,2]=4 203 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [1,0,0,0,0,0|1,0,2]=4 204 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [1,0,0,0,0,0|1,0,2]=4 205 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [1,0,0,0,0,0|1,0,1]=3 206 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [1,0,0,0,0,0|1,0,2]=4 207 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [1,0,0,0,0,0|1,0,2]=4 208 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [1,0,0,0,0,0|1,0,1]=3 209 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [1,0,0,0,0,0|1,0,2]=4 210 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [1,0,0,0,0,0|1,0,2]=4 211 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [1,0,0,0,0,0|1,0,2]=4 212 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [1,0,0,0,0,0|1,0,2]=4 213 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [1,0,0,0,0,0|1,0,2]=4 214 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [1,0,0,0,0,0|1,0,2]=4 215 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [1,0,0,0,0,0|1,0,2]=4 216 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [1,0,0,0,0,0|1,0,2]=4 217 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [1,0,0,0,0,0|1,0,2]=4 218 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [1,0,0,0,0,0|2,0,1]=4 219 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [1,0,0,0,0,0|2,0,1]=4 220 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [1,0,0,0,0,0|2,0,1]=4 221 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [1,0,0,0,0,0|2,0,1]=4 222 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [1,0,0,0,0,0|2,0,1]=4 223 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [1,0,0,0,0,0|2,0,1]=4 224 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [1,0,0,0,0,0|2,0,1]=4 225 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [1,0,0,0,0,0|3,0,0]=4 226 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [1,0,0,0,0,0|3,0,0]=4 227 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [1,0,0,0,0,0|3,0,0]=4 228 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [1,0,0,0,0,0|3,0,0]=4 229 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [1,0,0,0,0,0|3,0,0]=4 230 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [1,0,0,0,0,0|3,0,0]=4 231 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [1,0,0,0,0,0|3,0,0]=4 232 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [1,0,0,0,0,0|2,0,1]=4 233 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [1,0,0,0,0,0|3,0,0]=4 234 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [1,0,0,0,0,0|3,0,0]=4 235 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [1,0,0,0,0,0|3,0,0]=4 236 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [1,0,0,0,0,0|3,0,0]=4 237 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [1,0,0,0,0,0|3,0,0]=4 238 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [1,0,0,0,0,0|3,0,0]=4 239 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [1,0,0,0,0,0|3,0,0]=4 240 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [1,0,0,0,0,0|1,0,1]=3 241 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [1,0,0,0,0,0|1,0,1]=3 242 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [1,0,0,0,0,0|1,0,1]=3 243 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [1,0,0,0,0,0|2,0,1]=4 244 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [1,0,0,0,0,0|2,0,1]=4 245 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [1,0,0,0,0,0|2,0,1]=4 246 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [1,0,0,0,0,0|2,0,1]=4 247 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [1,0,0,0,0,0|2,0,1]=4 248 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [1,0,0,0,0,0|2,0,1]=4 249 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [1,0,0,0,0,0|2,0,1]=4 250 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [1,0,0,0,0,0|1,0,1]=3 251 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [1,0,0,0,0,0|1,0,2]=4 252 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [1,0,0,0,0,0|2,0,1]=4 253 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [1,0,0,0,0,0|2,0,1]=4 254 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [1,0,0,0,0,0|2,0,1]=4 255 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [1,0,0,0,0,0|1,0,2]=4 256 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [1,0,0,0,0,0|2,0,1]=4 257 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [1,0,0,0,0,0|1,0,2]=4 258 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [1,0,0,0,0,0|2,0,0]=3 259 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [1,0,0,0,0,0|2,0,0]=3 260 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [1,0,0,0,0,0|2,0,1]=4 261 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [1,0,0,0,0,0|2,0,1]=4 262 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [1,0,0,0,0,0|2,0,1]=4 263 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [1,0,0,0,0,0|3,0,0]=4 264 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [1,0,0,0,0,0|2,0,0]=3 265 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [1,0,0,0,0,0|2,0,0]=3 266 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [1,0,0,0,0,0|2,0,0]=3 267 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [1,0,0,0,0,0|2,0,0]=3 268 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [1,0,0,0,0,0|2,0,0]=3 269 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [1,0,0,0,0,0|2,0,0]=3 270 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [1,0,0,0,0,0|2,0,0]=3 271 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [1,0,0,0,0,0|2,0,0]=3 272 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [1,0,0,0,0,0|2,0,1]=4 273 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [1,0,0,0,0,0|2,0,1]=4 274 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [1,0,0,0,0,0|3,0,0]=4 275 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [1,0,0,0,0,0|2,0,0]=3 276 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [1,0,0,0,0,0|2,0,0]=3 277 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [1,0,0,0,0,0|2,0,1]=4 278 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [1,0,0,0,0,0|3,0,0]=4 279 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [1,0,0,0,0,0|2,0,1]=4 280 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [1,0,0,0,0,0|2,0,1]=4 281 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [1,0,0,0,0,0|2,0,1]=4 282 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [1,0,0,0,0,0|2,0,1]=4 283 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [1,0,0,0,0,0|2,0,1]=4 284 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [1,0,0,0,0,0|2,0,1]=4 285 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [1,0,0,0,0,0|2,0,1]=4 286 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [1,0,0,0,0,0|2,0,1]=4 287 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [1,0,0,0,0,0|2,0,1]=4 288 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [1,0,0,0,0,0|2,0,1]=4 289 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [1,0,0,0,0,0|2,0,1]=4 290 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [1,0,0,0,0,0|2,0,1]=4 291 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [1,0,0,0,0,0|2,0,1]=4 292 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [1,0,0,0,0,0|2,0,1]=4 293 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [1,0,0,0,0,0|2,0,1]=4 294 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [1,0,0,0,0,0|2,0,1]=4 295 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [1,0,0,0,0,0|2,0,1]=4 296 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [1,0,0,0,0,0|2,0,1]=4 297 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [1,0,0,0,0,0|2,0,1]=4 298 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [1,0,0,0,0,0|2,0,1]=4 299 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [1,0,0,0,0,0|2,0,1]=4 300 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [1,0,0,0,0,0|2,0,1]=4 301 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [1,0,0,0,0,0|2,0,1]=4 302 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [1,0,0,0,0,0|2,0,1]=4 303 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [1,0,0,0,0,0|2,0,1]=4 304 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [1,0,0,0,0,0|2,0,1]=4 305 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [1,0,0,0,0,0|1,0,2]=4 306 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [1,0,0,0,0,0|3,0,0]=4 307 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [1,0,0,0,0,0|3,0,0]=4 308 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [1,0,0,0,0,0|3,0,0]=4 309 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [1,0,0,0,0,0|2,0,1]=4 310 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [1,0,0,0,0,0|2,0,1]=4 311 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [1,0,0,0,0,0|3,0,0]=4 312 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [1,0,0,0,0,0|3,0,0]=4 313 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [1,0,0,0,0,0|3,0,0]=4 314 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [1,0,0,0,0,0|3,0,0]=4 315 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [1,0,0,0,0,0|2,0,1]=4 316 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [1,0,0,0,0,0|2,0,1]=4 317 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [1,0,0,0,0,0|2,0,1]=4 318 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [1,0,0,0,0,0|2,0,1]=4 319 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [1,0,0,0,0,0|2,0,1]=4 320 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [1,0,0,0,0,0|2,0,1]=4 321 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [1,0,0,0,0,0|3,0,0]=4 322 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [1,0,0,0,0,0|3,0,0]=4 323 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [1,0,0,0,0,0|3,0,0]=4 324 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [1,0,0,0,0,0|3,0,0]=4 325 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [1,0,0,0,0,0|3,0,0]=4 326 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [1,0,0,0,0,0|3,0,0]=4 327 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [1,0,0,0,0,0|3,0,0]=4 328 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [1,0,0,0,0,0|3,0,0]=4 329 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [1,0,0,0,0,0|3,0,0]=4 330 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [1,0,0,0,0,0|3,0,0]=4 331 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [1,0,0,0,0,0|3,0,0]=4 332 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [1,0,0,0,0,0|2,0,1]=4 333 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [1,0,0,0,0,0|3,0,0]=4 334 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [1,0,0,0,0,0|2,0,1]=4 335 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [1,0,0,0,0,0|2,0,1]=4 336 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [0,1,0,0,0,0|2,0,1]=4 337 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [0,1,0,0,0,0|2,0,1]=4 338 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [0,1,0,0,0,0|2,0,1]=4 339 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [0,1,0,0,0,0|2,0,1]=4 340 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [0,1,0,0,0,0|2,0,1]=4 341 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [0,1,0,0,0,0|2,0,1]=4 342 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [0,1,0,0,0,0|2,0,1]=4 343 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [0,1,0,0,0,0|2,0,1]=4 344 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [0,1,0,0,0,0|1,0,2]=4 345 B16R0.221 C=CC(=O)CCCCCCCCCCCCC 1458a_100000185746_100000210684 [0,1,0,0,0,0|1,0,2]=4 346 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 34a_200020667288_100000747449 [0,1,0,0,0,0|1,0,2]=4 347 B16R0.221 CCCCCCCC/C=C/COCC(=O)OC 7a_200020667288_100000747449 [0,1,0,0,0,0|1,0,2]=4 348 B16R0.221 CCCCCCCCC/C=C/COC(C)CO 34a_100015232335_100012180447 [0,1,0,0,0,0|2,0,1]=4 349 B16R0.221 CCCCCCCCC/C=C/COC(C)CO 7a_100015232335_100012180447 [0,1,0,0,0,0|2,0,1]=4 350 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000210684 [0,1,0,0,0,0|1,0,2]=4 351 B16R0.221 CCCCCCCCCCCCCC(=O)CC 1458a_100000756256_100000210202 [0,1,0,0,0,0|1,0,2]=4 352 B16R0.221 CCCCCCCCCCCCCC(=O)CF 1458a_100000756256_100015361967 [0,1,0,0,0,0|1,0,2]=4 353 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [0,1,0,0,0,0|0,0,2]=3 354 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [0,1,0,0,0,0|1,0,2]=4 355 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [0,1,0,0,0,0|1,0,2]=4 356 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [0,1,0,0,0,0|1,0,2]=4 357 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [0,1,0,0,0,0|1,0,2]=4 358 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [0,1,0,0,0,0|1,0,2]=4 359 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [0,1,0,0,0,0|1,0,2]=4 360 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [0,1,0,0,0,0|1,0,2]=4 361 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [0,1,0,0,0,0|1,0,2]=4 362 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [0,1,0,0,0,0|1,0,2]=4 363 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [0,1,0,0,0,0|1,0,2]=4 364 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [0,1,0,0,0,0|2,0,1]=4 365 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [0,1,0,0,0,0|2,0,1]=4 366 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [0,1,0,0,0,0|2,0,1]=4 367 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [0,1,0,0,0,0|2,0,1]=4 368 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [0,1,0,0,0,0|1,0,1]=3 369 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [0,1,0,0,0,0|1,0,1]=3 370 B16R0.221 CCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000210320 [0,1,0,0,0,0|2,0,1]=4 371 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [0,1,0,0,0,0|2,0,1]=4 372 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [0,1,0,0,0,0|2,0,1]=4 373 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [0,1,0,0,0,0|2,0,1]=4 374 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [0,1,0,0,0,0|1,0,1]=3 375 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [0,1,0,0,0,0|1,0,1]=3 376 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [0,1,0,0,0,0|2,0,1]=4 377 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [0,1,0,0,0,0|1,0,1]=3 378 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [0,1,0,0,0,0|2,0,1]=4 379 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [0,1,0,0,0,0|2,0,1]=4 380 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [0,1,0,0,0,0|2,0,1]=4 381 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [0,1,0,0,0,0|2,0,1]=4 382 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [0,1,0,0,0,0|1,0,1]=3 383 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [0,1,0,0,0,0|1,0,1]=3 384 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [0,1,0,0,0,0|2,0,1]=4 385 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [0,1,0,0,0,0|2,0,1]=4 386 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [0,1,0,0,0,0|2,0,1]=4 387 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [0,1,0,0,0,0|1,0,1]=3 388 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [0,1,0,0,0,0|1,0,1]=3 389 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [0,1,0,0,0,0|2,0,1]=4 390 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [0,1,0,0,0,0|2,0,1]=4 391 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [0,1,0,0,0,0|2,0,1]=4 392 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [0,1,0,0,0,0|1,0,1]=3 393 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [0,1,0,0,0,0|1,0,2]=4 394 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [0,1,0,0,0,0|1,0,2]=4 395 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [0,1,0,0,0,0|1,0,2]=4 396 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [0,1,0,0,0,0|1,0,2]=4 397 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [0,1,0,0,0,0|1,0,2]=4 398 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [0,1,0,0,0,0|1,0,2]=4 399 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [0,1,0,0,0,0|1,0,2]=4 400 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [0,1,0,0,0,0|1,0,2]=4 401 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [0,1,0,0,0,0|1,0,2]=4 402 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [0,1,0,0,0,0|1,0,2]=4 403 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [0,1,0,0,0,0|1,0,2]=4 404 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [0,1,0,0,0,0|1,0,2]=4 405 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [0,1,0,0,0,0|1,0,2]=4 406 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [0,1,0,0,0,0|1,0,2]=4 407 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [0,1,0,0,0,0|1,0,2]=4 408 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [0,1,0,0,0,0|1,0,2]=4 409 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [0,1,0,0,0,0|1,0,2]=4 410 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [0,1,0,0,0,0|1,0,2]=4 411 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [0,1,0,0,0,0|1,0,2]=4 412 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [0,1,0,0,0,0|1,0,2]=4 413 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [0,1,0,0,0,0|2,0,1]=4 414 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [0,1,0,0,0,0|2,0,1]=4 415 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [0,1,0,0,0,0|1,0,2]=4 416 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [0,1,0,0,0,0|1,0,2]=4 417 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [0,1,0,0,0,0|1,0,2]=4 418 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [0,1,0,0,0,0|1,0,2]=4 419 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [0,1,0,0,0,0|1,0,2]=4 420 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [0,1,0,0,0,0|1,0,2]=4 421 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [0,1,0,0,0,0|1,0,2]=4 422 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [0,1,0,0,0,0|1,0,2]=4 423 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [0,1,0,0,0,0|1,0,2]=4 424 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [0,1,0,0,0,0|1,0,2]=4 425 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [0,1,0,0,0,0|1,0,2]=4 426 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [0,1,0,0,0,0|2,0,1]=4 427 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [0,1,0,0,0,0|1,0,2]=4 428 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [0,1,0,0,0,0|1,0,2]=4 429 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [0,1,0,0,0,0|1,0,2]=4 430 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [0,1,0,0,0,0|1,0,2]=4 431 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [0,1,0,0,0,0|2,0,1]=4 432 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [0,1,0,0,0,0|2,0,1]=4 433 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [0,1,0,0,0,0|1,0,2]=4 434 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [0,1,0,0,0,0|1,0,2]=4 435 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [0,1,0,0,0,0|1,0,2]=4 436 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [0,1,0,0,0,0|1,0,2]=4 437 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [0,1,0,0,0,0|1,0,2]=4 438 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [0,1,0,0,0,0|1,0,2]=4 439 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [0,1,0,0,0,0|1,0,2]=4 440 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [0,1,0,0,0,0|1,0,2]=4 441 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [0,1,0,0,0,0|1,0,2]=4 442 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [0,1,0,0,0,0|1,0,2]=4 443 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [0,1,0,0,0,0|1,0,2]=4 444 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [0,1,0,0,0,0|1,0,2]=4 445 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [0,1,0,0,0,0|1,0,2]=4 446 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [0,1,0,0,0,0|1,0,2]=4 447 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [0,1,0,0,0,0|2,0,1]=4 448 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [0,1,0,0,0,0|2,0,1]=4 449 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [0,1,0,0,0,0|2,0,1]=4 450 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [0,1,0,0,0,0|2,0,1]=4 451 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [0,1,0,0,0,0|2,0,1]=4 452 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [0,1,0,0,0,0|2,0,1]=4 453 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [0,1,0,0,0,0|2,0,1]=4 454 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [0,1,0,0,0,0|2,0,1]=4 455 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [0,1,0,0,0,0|2,0,1]=4 456 B16R0.221 COC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000204255 [0,1,0,0,0,0|2,0,1]=4 457 B16R0.221 COC(=O)CCNCCCCCCCCCO 34a_100000078944_100000742370 [0,1,0,0,0,0|2,0,1]=4 458 B16R0.221 COC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000742370 [0,1,0,0,0,0|2,0,1]=4 459 B16R0.221 COC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000204255 [0,1,0,0,0,0|2,0,1]=4 460 B16R0.221 COC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000742370 [0,1,0,0,0,0|2,0,1]=4 461 B16R0.221 COC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000204255 [0,1,0,0,0,0|2,0,1]=4 462 B16R0.221 COC(=O)CCOCCCCCCCCCN 34a_100000078944_100000742370 [0,1,0,0,0,0|2,0,1]=4 463 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100000204255_100009813782 [0,1,0,0,0,0|2,0,1]=4 464 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100009813782_100000204255 [0,1,0,0,0,0|2,0,1]=4 465 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [0,1,0,0,0,0|1,0,2]=4 466 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [0,1,0,0,0,0|1,0,2]=4 467 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [0,1,0,0,0,0|2,0,1]=4 468 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C 1458a_100000070787_200011217028 [0,1,0,0,0,0|1,0,2]=4 469 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,1,0,0,0,0|1,0,2]=4 470 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,1,0,0,0,0|1,0,1]=3 471 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,1,0,0,0,0|1,0,1]=3 472 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [0,1,0,0,0,0|2,0,1]=4 473 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [0,1,0,0,0,0|2,0,1]=4 474 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [0,1,0,0,0,0|2,0,1]=4 475 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [0,1,0,0,0,0|2,0,1]=4 476 B16R0.274 C=C(C)COC/C=C/CCCCCCCCC 34a_100015232335_100000748629 [0,1,0,0,0,0|2,0,0]=3 477 B16R0.274 C=C(C)COC/C=C/CCCCCCCCC 7a_100015232335_100000748629 [0,1,0,0,0,0|2,0,0]=3 478 B16R0.274 C=C(F)COC/C=C/CCCCCCCCC 34a_100015232335_100009893438 [0,1,0,0,0,0|2,0,0]=3 479 B16R0.274 C=C(F)COC/C=C/CCCCCCCCC 7a_100015232335_100000042424 [0,1,0,0,0,0|2,0,0]=3 480 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,1,0,0,0,0|1,0,2]=4 481 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,1,0,0,0,0|2,0,1]=4 482 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,1,0,0,0,0|2,0,1]=4 483 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,1,0,0,0,0|2,0,1]=4 484 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,1,0,0,0,0|2,0,1]=4 485 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,1,0,0,0,0|2,0,1]=4 486 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,1,0,0,0,0|2,0,1]=4 487 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,1,0,0,0,0|2,0,1]=4 488 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,1,0,0,0,0|2,0,1]=4 489 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,1,0,0,0,0|2,0,1]=4 490 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,1,0,0,0,0|2,0,1]=4 491 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,1,0,0,0,0|2,0,1]=4 492 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,1,0,0,0,0|2,0,1]=4 493 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,1,0,0,0,0|2,0,1]=4 494 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,1,0,0,0,0|2,0,1]=4 495 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,1,0,0,0,0|2,0,1]=4 496 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,1,0,0,0,0|2,0,1]=4 497 B16R0.274 CCCCCCC/C=C/C=C/COCC(=O)N 34a_200025756345_100000187820 [0,1,0,0,0,0|1,0,2]=4 498 B16R0.274 CCCCCCC/C=C/C=C/COCC(=O)N 7a_200025756345_100000187820 [0,1,0,0,0,0|1,0,2]=4 499 B16R0.274 CCCCCCC/C=C/C=C/COCC(=O)[O-] 34a_200025756345_100020667443 [0,1,0,0,0,0|0,0,3]=4 500 B16R0.274 CCCCCCCC/C=C/COCCC(=O)C 7a_200020667288_100000053229 [0,1,0,0,0,0|1,0,2]=4 501 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 34a_200020667288_100000731001 [0,1,0,0,0,0|1,0,2]=4 502 B16R0.274 CCCCCCCC/C=C/COCCC(=O)N 7a_200020667288_100000744528 [0,1,0,0,0,0|1,0,2]=4 503 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 34a_100015232335_100000187820 [0,1,0,0,0,0|1,0,0]=2 504 B16R0.274 CCCCCCCCC/C=C/COCC(=O)N 7a_100015232335_100000187820 [0,1,0,0,0,0|1,0,0]=2 505 B16R0.274 CCCCCCCCC/C=C/COCC(=O)[O-] 34a_100015232335_100020667443 [0,1,0,0,0,0|0,0,1]=2 506 B16R0.274 CCCCCCCCC/C=C/COCC(C)C 34a_100015232335_100000210624 [0,1,0,0,0,0|2,0,1]=4 507 B16R0.274 CCCCCCCCC/C=C/COCC(C)C 7a_100015232335_100000210760 [0,1,0,0,0,0|2,0,1]=4 508 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 34a_100015232335_100011218427 [0,1,0,0,0,0|1,0,1]=3 509 B16R0.274 CCCCCCCCC/C=C/COCC(C)O 7a_100015232335_100011218427 [0,1,0,0,0,0|1,0,1]=3 510 B16R0.274 CCCCCCCCC/C=C/COCC(F)F 34a_100015232335_100011934356 [0,1,0,0,0,0|2,0,1]=4 511 B16R0.274 CCCCCCCCC/C=C/COCC(F)F 7a_100015232335_100011934356 [0,1,0,0,0,0|2,0,1]=4 512 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 34a_100015232335_100009817552 [0,1,0,0,0,0|1,0,1]=3 513 B16R0.274 CCCCCCCCC/C=C/COC[C@@H](C)O 7a_100015232335_100009817552 [0,1,0,0,0,0|1,0,1]=3 514 B16R0.274 CCCCCCCCC/C=C/COC[N+](=O)[O-] 34a_100015232335_100000761209 [0,1,0,0,0,0|1,0,1]=3 515 B16R0.274 CCCCCCCCCC=CC=NNC(=O)C 4a_100000189765_100016997280 [0,1,0,0,0,0|2,0,1]=4 516 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [0,1,0,0,0,0|1,0,2]=4 517 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [0,1,0,0,0,0|1,0,2]=4 518 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [0,1,0,0,0,0|1,0,2]=4 519 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,1,0,0,0,0|1,0,2]=4 520 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,1,0,0,0,0|1,0,2]=4 521 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,1,0,0,0,0|1,0,2]=4 522 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,1,0,0,0,0|1,0,2]=4 523 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,1,0,0,0,0|1,0,2]=4 524 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,1,0,0,0,0|1,0,2]=4 525 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,1,0,0,0,0|1,0,2]=4 526 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,1,0,0,0,0|0,0,2]=3 527 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,1,0,0,0,0|0,0,3]=4 528 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,1,0,0,0,0|1,0,2]=4 529 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,1,0,0,0,0|1,0,2]=4 530 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,1,0,0,0,0|1,0,2]=4 531 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,1,0,0,0,0|0,0,3]=4 532 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,1,0,0,0,0|1,0,2]=4 533 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,1,0,0,0,0|0,0,3]=4 534 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,1,0,0,0,0|1,0,2]=4 535 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,1,0,0,0,0|1,0,2]=4 536 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,1,0,0,0,0|1,0,2]=4 537 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,1,0,0,0,0|1,0,2]=4 538 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,1,0,0,0,0|1,0,2]=4 539 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,1,0,0,0,0|1,0,2]=4 540 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,1,0,0,0,0|1,0,2]=4 541 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,1,0,0,0,0|1,0,2]=4 542 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,1,0,0,0,0|1,0,2]=4 543 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,1,0,0,0,0|1,0,2]=4 544 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [0,1,0,0,0,0|1,0,2]=4 545 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,1,0,0,0,0|1,0,2]=4 546 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,1,0,0,0,0|1,0,2]=4 547 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,1,0,0,0,0|1,0,2]=4 548 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,1,0,0,0,0|1,0,2]=4 549 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,1,0,0,0,0|2,0,1]=4 550 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,1,0,0,0,0|2,0,1]=4 551 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,1,0,0,0,0|2,0,1]=4 552 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,1,0,0,0,0|2,0,1]=4 553 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,1,0,0,0,0|2,0,1]=4 554 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,1,0,0,0,0|2,0,1]=4 555 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,1,0,0,0,0|1,0,2]=4 556 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,1,0,0,0,0|1,0,2]=4 557 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,1,0,0,0,0|1,0,2]=4 558 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,1,0,0,0,0|1,0,2]=4 559 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,1,0,0,0,0|1,0,2]=4 560 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,1,0,0,0,0|1,0,2]=4 561 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,1,0,0,0,0|2,0,1]=4 562 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,1,0,0,0,0|2,0,1]=4 563 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,1,0,0,0,0|2,0,1]=4 564 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,1,0,0,0,0|2,0,1]=4 565 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,1,0,0,0,0|2,0,1]=4 566 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,1,0,0,0,0|2,0,1]=4 567 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,1,0,0,0,0|2,0,1]=4 568 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,1,0,0,0,0|2,0,1]=4 569 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,1,0,0,0,0|2,0,1]=4 570 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [0,1,0,0,0,0|1,0,2]=4 571 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,1,0,0,0,0|1,0,2]=4 572 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,1,0,0,0,0|2,0,1]=4 573 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,1,0,0,0,0|2,0,1]=4 574 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,1,0,0,0,0|2,0,1]=4 575 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,1,0,0,0,0|2,0,1]=4 576 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,1,0,0,0,0|1,0,2]=4 577 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,1,0,0,0,0|1,0,2]=4 578 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,1,0,0,0,0|2,0,1]=4 579 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,1,0,0,0,0|2,0,1]=4 580 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,1,0,0,0,0|2,0,1]=4 581 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,1,0,0,0,0|2,0,1]=4 582 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,1,0,0,0,0|2,0,1]=4 583 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,1,0,0,0,0|2,0,1]=4 584 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,1,0,0,0,0|1,0,1]=3 585 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,1,0,0,0,0|1,0,2]=4 586 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,1,0,0,0,0|1,0,2]=4 587 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,1,0,0,0,0|1,0,2]=4 588 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,1,0,0,0,0|1,0,2]=4 589 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,1,0,0,0,0|2,0,1]=4 590 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,1,0,0,0,0|2,0,1]=4 591 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,1,0,0,0,0|2,0,1]=4 592 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,1,0,0,0,0|2,0,1]=4 593 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,1,0,0,0,0|2,0,1]=4 594 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,1,0,0,0,0|2,0,1]=4 595 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,1,0,0,0,0|2,0,1]=4 596 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [0,1,0,0,0,0|1,0,2]=4 597 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,1,0,0,0,0|2,0,1]=4 598 B16R0.274 CCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210670 [0,1,0,0,0,0|2,0,1]=4 599 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,1,0,0,0,0|2,0,1]=4 600 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,1,0,0,0,0|1,0,2]=4 601 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,1,0,0,0,0|1,0,2]=4 602 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,1,0,0,0,0|1,0,2]=4 603 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,1,0,0,0,0|1,0,2]=4 604 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,1,0,0,0,0|1,0,2]=4 605 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,1,0,0,0,0|1,0,2]=4 606 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,1,0,0,0,0|0,0,3]=4 607 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,1,0,0,0,0|1,0,2]=4 608 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,1,0,0,0,0|1,0,2]=4 609 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,1,0,0,0,0|2,0,1]=4 610 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,1,0,0,0,0|1,0,2]=4 611 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,1,0,0,0,0|1,0,2]=4 612 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,1,0,0,0,0|1,0,2]=4 613 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,1,0,0,0,0|2,0,1]=4 614 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,1,0,0,0,0|2,0,1]=4 615 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,1,0,0,0,0|2,0,1]=4 616 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,1,0,0,0,0|2,0,1]=4 617 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,1,0,0,0,0|2,0,1]=4 618 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,1,0,0,0,0|2,0,1]=4 619 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,1,0,0,0,0|2,0,1]=4 620 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,1,0,0,0,0|2,0,1]=4 621 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,1,0,0,0,0|2,0,1]=4 622 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,1,0,0,0,0|2,0,1]=4 623 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,1,0,0,0,0|2,0,1]=4 624 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,1,0,0,0,0|2,0,1]=4 625 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,1,0,0,0,0|2,0,1]=4 626 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,1,0,0,0,0|2,0,1]=4 627 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,1,0,0,0,0|2,0,1]=4 628 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,1,0,0,0,0|2,0,1]=4 629 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,1,0,0,0,0|2,0,1]=4 630 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,1,0,0,0,0|2,0,1]=4 631 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,1,0,0,0,0|2,0,1]=4 632 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,1,0,0,0,0|2,0,1]=4 633 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,1,0,0,0,0|1,0,2]=4 634 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,1,0,0,0,0|2,0,1]=4 635 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [0,1,0,0,0,0|2,0,1]=4 636 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [0,1,0,0,0,0|1,0,1]=3 637 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [0,1,0,0,0,0|1,0,1]=3 638 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [0,1,0,0,0,0|1,0,2]=4 639 B16R0.297 CCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210670 [0,1,0,0,0,0|1,0,2]=4 640 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210670 [0,1,0,0,0,0|2,0,1]=4 641 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210558_100000189650 [0,1,0,0,0,0|2,0,1]=4 642 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210670 [0,1,0,0,0,0|2,0,1]=4 643 B16R0.297 CCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210558_200000034859 [0,1,0,0,0,0|2,0,1]=4 644 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210558_100009814007 [0,1,0,0,0,0|2,0,1]=4 645 B16R0.297 CCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210558_200011214921 [0,1,0,0,0,0|2,0,1]=4 646 B16R0.297 CCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210670 [0,1,0,0,0,0|2,0,1]=4 647 B16R0.297 CCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210670 [0,1,0,0,0,0|2,0,1]=4 648 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210558 [0,1,0,0,0,0|2,0,0]=3 649 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210558 [0,1,0,0,0,0|2,0,0]=3 650 B16R0.297 CCCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210558 [0,1,0,0,0,0|2,0,0]=3 651 B16R0.297 CCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210558 [0,1,0,0,0,0|2,0,1]=4 652 B16R0.297 CCCCCCCCCC(=O)NCCC(C)O 527a_200000755665_100000210558 [0,1,0,0,0,0|2,0,1]=4 653 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [0,1,0,0,0,0|2,0,1]=4 654 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [0,1,0,0,0,0|2,0,1]=4 655 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [0,1,0,0,0,0|2,0,1]=4 656 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [0,1,0,0,0,0|2,0,1]=4 657 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [0,1,0,0,0,0|2,0,1]=4 658 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,1,0,0,0,0|1,0,1]=3 659 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 2708a_100000229939_100000740010 [0,1,0,0,0,0|3,0,0]=4 660 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 273464a_100000229939_100000740010 [0,1,0,0,0,0|3,0,0]=4 661 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000229939 [0,1,0,0,0,0|3,0,0]=4 662 B16R0.297 CCCCCCCCNC(=O)NCCC(=O)N 512a_100000229939_100000740010 [0,1,0,0,0,0|3,0,0]=4 663 B16R0.297 CCCCCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210681 [0,1,0,0,0,0|3,0,0]=4 664 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [0,1,0,0,0,0|2,0,1]=4 665 B16R0.297 NC(=O)CCNC(=O)CCCCCCCCO 240690a_100000740010_100000015970 [0,1,0,0,0,0|3,0,0]=4 666 B16R0.302 C=C(C)CC(=O)C=CCCCCCCCCC 1458a_200015352897_100000748629 [0,1,0,0,0,0|2,0,1]=4 667 B16R0.302 C=C(F)CC(=O)C=CCCCCCCCCC 1458a_200015352897_100009893438 [0,1,0,0,0,0|2,0,1]=4 668 B16R0.302 CCCCCCCCCC=CC(=O)CC(=O)N 1458a_200015352897_100000187820 [0,1,0,0,0,0|1,0,1]=3 669 B16R0.302 CCCCCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015352897_100020667443 [0,1,0,0,0,0|0,0,2]=3 670 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)O 1458a_200015352897_100011218427 [0,1,0,0,0,0|1,0,2]=4 671 B16R0.302 CCCCCCCCCC=CC(=O)C[N+](=O)[O-] 1458a_200015352897_100000761209 [0,1,0,0,0,0|1,0,2]=4 672 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,1,0,0,0,0|1,0,2]=4 673 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,1,0,0,0,0|1,0,1]=3 674 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,1,0,0,0,0|2,0,1]=4 675 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [0,1,0,0,0,0|2,0,1]=4 676 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [0,1,0,0,0,0|2,0,1]=4 677 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [0,1,0,0,0,0|2,0,1]=4 678 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [0,1,0,0,0,0|2,0,1]=4 679 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [0,1,0,0,0,0|2,0,1]=4 680 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [0,1,0,0,0,0|2,0,1]=4 681 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [0,1,0,0,0,0|2,0,1]=4 682 B16R0.3183 C=C(C)CCC(=O)C=CCCCCCCCC 1458a_100015345288_100000730704 [0,1,0,0,0,0|2,0,1]=4 683 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_100000210375_100000730704 [0,1,0,0,0,0|2,0,1]=4 684 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_200000688413_100000210319 [0,1,0,0,0,0|2,0,1]=4 685 B16R0.3183 C=C(C)CCC(=O)NCCCCCCCCC 11a_100000212291_200000688413 [0,1,0,0,0,0|3,0,0]=4 686 B16R0.3183 C=C(C)CCC(=O)NCCCCCCCCC 1626a_100000212291_200000688413 [0,1,0,0,0,0|3,0,0]=4 687 B16R0.3183 C=C(C)CCC(=O)NCCCCCCCCC 240690a_100000212291_200000688413 [0,1,0,0,0,0|3,0,0]=4 688 B16R0.3183 C=C(C)CCC(=O)NCCCCCCCCC 527a_100000212291_200000688413 [0,1,0,0,0,0|3,0,0]=4 689 B16R0.3183 CCCCCCCCC=CC(=O)CCC(C)O 1458a_100015345288_100012276601 [0,1,0,0,0,0|1,0,2]=4 690 B16R0.3183 CCCCCCCCC=CC(=O)NCC(=O)N 11a_100000711301_100015345288 [0,1,0,0,0,0|2,0,1]=4 691 B16R0.3183 CCCCCCCCC=CC(=O)NCC(=O)N 240690a_100000711301_100015345288 [0,1,0,0,0,0|2,0,1]=4 692 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [0,1,0,0,0,0|1,0,1]=3 693 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [0,1,0,0,0,0|1,0,2]=4 694 B16R0.3183 CCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210319 [0,1,0,0,0,0|1,0,2]=4 695 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210319 [0,1,0,0,0,0|2,0,1]=4 696 B16R0.3183 CCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210319 [0,1,0,0,0,0|2,0,1]=4 697 B16R0.3183 CCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210319 [0,1,0,0,0,0|2,0,1]=4 698 B16R0.3183 CCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210319 [0,1,0,0,0,0|2,0,1]=4 699 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210375 [0,1,0,0,0,0|2,0,1]=4 700 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210375 [0,1,0,0,0,0|2,0,1]=4 701 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [0,1,0,0,0,0|2,0,1]=4 702 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [0,1,0,0,0,0|2,0,1]=4 703 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [0,1,0,0,0,0|2,0,1]=4 704 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [0,1,0,0,0,0|2,0,1]=4 705 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 240690a_100000212291_100011215257 [0,1,0,0,0,0|2,0,0]=3 706 B16R0.3183 CCCCCCCCCNC(=O)CCC(=O)N 527a_100000212291_100011215257 [0,1,0,0,0,0|2,0,0]=3 707 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)O 1626a_100000212291_100000718519 [0,1,0,0,0,0|2,0,1]=4 708 B16R0.3183 CCCCCCCCCNC(=O)CC[N+](=O)[O-] 11a_100000212291_200000064761 [0,1,0,0,0,0|2,0,1]=4 709 B16R0.3183 CCCCCCCCCNC(=O)CC[N+](=O)[O-] 1626a_100000212291_200000064761 [0,1,0,0,0,0|2,0,1]=4 710 B16R0.3183 CCCCCCCCCNC(=O)CC[N+](=O)[O-] 240690a_100000212291_200000064761 [0,1,0,0,0,0|2,0,1]=4 711 B16R0.3183 CCCCCCCCCNC(=O)CNC(=O)C 11a_100000212291_100000194580 [0,1,0,0,0,0|3,0,0]=4 712 B16R0.3183 CCCCCCCCCNC(=O)CNC(=O)C 1626a_100000212291_100000194580 [0,1,0,0,0,0|3,0,0]=4 713 B16R0.3183 CCCCCCCCCNC(=O)CNC(=O)C 240690a_100000212291_100000194580 [0,1,0,0,0,0|3,0,0]=4 714 B16R0.3183 CCCCCCCCCNC(=O)CNC(=O)C 527a_100000212291_100000194580 [0,1,0,0,0,0|3,0,0]=4 715 B16R0.3183 CCCCCCCCCNC(=O)CNC(=O)N 240690a_100000212291_100000184981 [0,1,0,0,0,0|3,0,0]=4 716 B16R0.3183 CCCCCCCCCNC(=O)CNC(=O)N 527a_100000212291_100000184981 [0,1,0,0,0,0|3,0,0]=4 717 B16R0.3183 CCCCCCCCCNC(=O)COC(=O)C 1626a_100000212291_100000183556 [0,1,0,0,0,0|3,0,0]=4 718 B16R0.3183 CCCCCCCCCNC(=O)COC(=O)C 240690a_100000212291_100000183556 [0,1,0,0,0,0|3,0,0]=4 719 B16R0.3183 CCCCCCCCCNC(=O)COC(=O)C 527a_100000212291_100000183556 [0,1,0,0,0,0|3,0,0]=4 720 B16R0.3183 CCCCCCCCCNC(=O)CSC(=O)C 11a_100000212291_100000049016 [0,1,0,0,0,0|3,0,0]=4 721 B16R0.3183 CCCCCCCCCNC(=O)CSC(=O)C 1626a_100000212291_100000049016 [0,1,0,0,0,0|3,0,0]=4 722 B16R0.3183 CCCCCCCCCNC(=O)CSC(=O)C 240690a_100000212291_100000049016 [0,1,0,0,0,0|3,0,0]=4 723 B16R0.3183 CCCCCCCCCNC(=O)CSC(=O)N 240690a_100000212291_200015941356 [0,1,0,0,0,0|3,0,0]=4 724 B16R0.3183 CCCCCCCCCNC(=O)NCC(=O)N 2708a_100000212291_100000711301 [0,1,0,0,0,0|3,0,0]=4 725 B16R0.3183 CCCCCCCCCNC(=O)NCC(=O)N 273464a_100000212291_100000711301 [0,1,0,0,0,0|3,0,0]=4 726 B16R0.3183 CCCCCCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000212291 [0,1,0,0,0,0|3,0,0]=4 727 B16R0.3183 CCCCCCCCCNC(=O)NCC(=O)N 512a_100000212291_100000711301 [0,1,0,0,0,0|3,0,0]=4 728 B16R0.3183 CCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210759 [0,1,0,0,0,0|2,0,1]=4 729 B16R0.3183 CCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210614 [0,1,0,0,0,0|2,0,1]=4 730 B16R0.3183 NC(=O)CCC(=O)CCCCCCCCCO 1458a_100011215257_100009813782 [0,1,0,0,0,0|2,0,1]=4 731 B16R0.3183 NC(=O)CCC(=O)NCCCCCCCCO 240690a_102515433106_100011215257 [0,1,0,0,0,0|3,0,0]=4 732 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [0,1,0,0,0,0|2,0,1]=4 733 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [0,1,0,0,0,0|2,0,1]=4 734 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [0,1,0,0,0,0|2,0,1]=4 735 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [0,1,0,0,0,0|2,0,1]=4 736 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [0,0,0,1,0,0|2,0,1]=4 737 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [0,0,0,1,0,0|2,0,1]=4 738 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [0,0,0,1,0,0|2,0,1]=4 739 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [0,0,0,1,0,0|2,0,1]=4 740 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [0,0,0,1,0,0|2,0,1]=4 741 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [0,0,0,1,0,0|2,0,1]=4 742 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [0,0,0,1,0,0|2,0,1]=4 743 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [0,0,0,1,0,0|2,0,1]=4 744 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [0,0,0,1,0,0|2,0,1]=4 745 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [0,0,0,1,0,0|2,0,1]=4 746 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [0,0,0,1,0,0|2,0,1]=4 747 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [0,0,0,1,0,0|2,0,1]=4 748 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [0,0,0,1,0,0|2,0,1]=4 749 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [0,0,0,1,0,0|2,0,1]=4 750 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [0,0,0,1,0,0|2,0,1]=4 751 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [0,0,0,1,0,0|2,0,1]=4 752 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [0,0,0,1,0,0|2,0,1]=4 753 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [0,0,0,1,0,0|2,0,1]=4 754 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [0,0,0,1,0,0|2,0,1]=4 755 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [0,0,0,1,0,0|2,0,1]=4 756 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [0,0,0,1,0,0|2,0,1]=4 757 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,0,0,1,0,0|2,0,1]=4 758 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,0,0,1,0,0|2,0,1]=4 759 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,0,0,1,0,0|2,0,1]=4 760 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [0,0,0,1,0,0|2,0,1]=4 761 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [0,0,0,1,0,0|2,0,1]=4 762 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [0,0,0,1,0,0|2,0,1]=4 763 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [0,0,0,1,0,0|2,0,1]=4 764 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [0,0,0,1,0,0|2,0,1]=4 765 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [0,0,0,1,0,0|2,0,1]=4 766 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [0,0,0,1,0,0|1,0,2]=4 767 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [0,0,0,1,0,0|2,0,1]=4 768 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [0,0,0,1,0,0|1,0,2]=4 769 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [0,0,0,1,0,0|2,0,1]=4 770 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [0,0,0,1,0,0|2,0,1]=4 771 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [0,0,0,1,0,0|2,0,1]=4 772 B16R1.3900 CCCCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210314 [0,0,0,1,0,0|2,0,0]=3 773 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [0,0,0,1,0,0|1,0,2]=4 774 B16R1.3900 CCCCOCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011995733 [0,0,0,1,0,0|3,0,0]=4 775 B16R1.3900 CCCOCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011215938 [0,0,0,1,0,0|3,0,0]=4 776 B16R1.3900 CCOCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100012232248 [0,0,0,1,0,0|3,0,0]=4 777 B16R1.3900 COCCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000755781 [0,0,0,1,0,0|3,0,0]=4 778 B16R1.3900 NC(=O)[C@@H]1CC=CC[C@H]1NCCCCCF 34a_100032748912_100000729378 [0,0,0,1,0,0|3,0,0]=4 779 B16R1.3900 NC(=O)[C@@H]1CC=CC[C@H]1NCCCCCO 34a_100032748912_100000746330 [0,0,0,1,0,0|3,0,0]=4 780 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [0,0,0,1,0,0|1,0,2]=4 781 B16R1.6690 CCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210759 [0,0,0,1,0,0|1,0,2]=4 782 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [0,0,0,1,0,0|1,0,2]=4 783 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [0,0,0,1,0,0|2,0,1]=4 784 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [0,0,0,1,0,0|1,0,2]=4 785 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [0,0,0,1,0,0|2,0,1]=4 786 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [0,0,0,1,0,0|2,0,1]=4 787 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [0,0,0,1,0,0|2,0,1]=4 788 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [0,0,0,1,0,0|2,0,1]=4 789 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [0,0,0,1,0,0|2,0,1]=4 790 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [0,0,0,1,0,0|2,0,1]=4 791 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,0,0,1,0,0|1,0,1]=3 792 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [0,0,0,1,0,0|2,0,1]=4 793 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [0,0,0,1,0,0|2,0,1]=4 794 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [0,0,0,1,0,0|2,0,1]=4 795 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [2,0,0,0,0,0|2,0,0]=4 796 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [2,0,0,0,0,0|2,0,0]=4 797 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [2,0,0,0,0,0|2,0,0]=4 798 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [2,0,0,0,0,0|2,0,0]=4 799 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [2,0,0,0,0,0|2,0,0]=4 800 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [2,0,0,0,0,0|2,0,0]=4 801 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [2,0,0,0,0,0|2,0,0]=4 802 B13R0.336 CCC/C=C/COCCCCCCC 34a_100016278788_100000210614 [2,0,0,0,0,0|1,0,1]=4 803 B13R0.336 CCC/C=C/COCCCCCCC 7a_100016278788_100000210614 [2,0,0,0,0,0|1,0,1]=4 804 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [2,0,0,0,0,0|1,0,1]=4 805 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [2,0,0,0,0,0|1,0,1]=4 806 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [2,0,0,0,0,0|1,0,1]=4 807 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [2,0,0,0,0,0|1,0,1]=4 808 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [2,0,0,0,0,0|1,0,1]=4 809 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [2,0,0,0,0,0|1,0,1]=4 810 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [2,0,0,0,0,0|1,0,1]=4 811 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [2,0,0,0,0,0|1,0,1]=4 812 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [2,0,0,0,0,0|1,0,1]=4 813 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [2,0,0,0,0,0|1,0,1]=4 814 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [2,0,0,0,0,0|1,0,1]=4 815 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [2,0,0,0,0,0|1,0,1]=4 816 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [2,0,0,0,0,0|1,0,1]=4 817 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [2,0,0,0,0,0|1,0,1]=4 818 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [2,0,0,0,0,0|1,0,1]=4 819 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [2,0,0,0,0,0|1,0,1]=4 820 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [2,0,0,0,0,0|1,0,1]=4 821 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [2,0,0,0,0,0|1,0,1]=4 822 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [2,0,0,0,0,0|1,0,1]=4 823 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [2,0,0,0,0,0|1,0,1]=4 824 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [2,0,0,0,0,0|1,0,1]=4 825 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [2,0,0,0,0,0|1,0,1]=4 826 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [2,0,0,0,0,0|1,0,1]=4 827 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [2,0,0,0,0,0|1,0,1]=4 828 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [2,0,0,0,0,0|1,0,1]=4 829 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [2,0,0,0,0,0|1,0,1]=4 830 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [2,0,0,0,0,0|1,0,1]=4 831 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [2,0,0,0,0,0|1,0,1]=4 832 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [2,0,0,0,0,0|1,0,1]=4 833 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [2,0,0,0,0,0|1,0,1]=4 834 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [2,0,0,0,0,0|1,0,1]=4 835 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [2,0,0,0,0,0|1,0,1]=4 836 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [2,0,0,0,0,0|1,0,1]=4 837 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [2,0,0,0,0,0|2,0,0]=4 838 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [2,0,0,0,0,0|1,0,0]=3 839 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [2,0,0,0,0,0|1,0,0]=3 840 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [2,0,0,0,0,0|1,0,0]=3 841 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [2,0,0,0,0,0|1,0,0]=3 842 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [2,0,0,0,0,0|1,0,0]=3 843 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 844 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 845 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [2,0,0,0,0,0|2,0,0]=4 846 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [2,0,0,0,0,0|2,0,0]=4 847 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [2,0,0,0,0,0|2,0,0]=4 848 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [2,0,0,0,0,0|2,0,0]=4 849 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [2,0,0,0,0,0|2,0,0]=4 850 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [2,0,0,0,0,0|1,0,0]=3 851 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [2,0,0,0,0,0|1,0,1]=4 852 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [2,0,0,0,0,0|2,0,0]=4 853 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [2,0,0,0,0,0|2,0,0]=4 854 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [2,0,0,0,0,0|2,0,0]=4 855 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [2,0,0,0,0,0|1,0,1]=4 856 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [2,0,0,0,0,0|2,0,0]=4 857 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [2,0,0,0,0,0|1,0,1]=4 858 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [2,0,0,0,0,0|2,0,0]=4 859 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [2,0,0,0,0,0|2,0,0]=4 860 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [2,0,0,0,0,0|2,0,0]=4 861 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [2,0,0,0,0,0|2,0,0]=4 862 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [2,0,0,0,0,0|2,0,0]=4 863 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [2,0,0,0,0,0|2,0,0]=4 864 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [2,0,0,0,0,0|2,0,0]=4 865 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [2,0,0,0,0,0|2,0,0]=4 866 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [2,0,0,0,0,0|2,0,0]=4 867 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [2,0,0,0,0,0|2,0,0]=4 868 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [2,0,0,0,0,0|2,0,0]=4 869 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [2,0,0,0,0,0|2,0,0]=4 870 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [2,0,0,0,0,0|2,0,0]=4 871 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [2,0,0,0,0,0|2,0,0]=4 872 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [2,0,0,0,0,0|2,0,0]=4 873 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [2,0,0,0,0,0|2,0,0]=4 874 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [2,0,0,0,0,0|2,0,0]=4 875 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [2,0,0,0,0,0|2,0,0]=4 876 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [2,0,0,0,0,0|2,0,0]=4 877 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [2,0,0,0,0,0|2,0,0]=4 878 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [2,0,0,0,0,0|2,0,0]=4 879 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [2,0,0,0,0,0|2,0,0]=4 880 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [2,0,0,0,0,0|2,0,0]=4 881 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [2,0,0,0,0,0|2,0,0]=4 882 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [2,0,0,0,0,0|2,0,0]=4 883 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [2,0,0,0,0,0|2,0,0]=4 884 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [2,0,0,0,0,0|2,0,0]=4 885 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [2,0,0,0,0,0|2,0,0]=4 886 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [2,0,0,0,0,0|2,0,0]=4 887 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [2,0,0,0,0,0|2,0,0]=4 888 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [2,0,0,0,0,0|2,0,0]=4 889 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [2,0,0,0,0,0|2,0,0]=4 890 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [2,0,0,0,0,0|2,0,0]=4 891 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [2,0,0,0,0,0|2,0,0]=4 892 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [2,0,0,0,0,0|2,0,0]=4 893 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [2,0,0,0,0,0|2,0,0]=4 894 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [2,0,0,0,0,0|2,0,0]=4 895 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [2,0,0,0,0,0|2,0,0]=4 896 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [2,0,0,0,0,0|1,0,1]=4 897 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [2,0,0,0,0,0|2,0,0]=4 898 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [2,0,0,0,0,0|2,0,0]=4 899 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [2,0,0,0,0,0|2,0,0]=4 900 B15R0.70 C#CCOC/C=C/CCCCCCCCC 34a_100015232335_100000184674 [1,1,0,0,0,0|1,0,1]=4 901 B15R0.70 C#CCOC/C=C/CCCCCCCCC 7a_100015232335_100000038162 [1,1,0,0,0,0|1,0,1]=4 902 B15R0.70 C=CCCC/C=C/COCCCCCCC 34a_200016268473_100000210614 [1,1,0,0,0,0|2,0,0]=4 903 B15R0.70 C=CCCC/C=C/COCCCCCCC 7a_200016268473_100000210614 [1,1,0,0,0,0|2,0,0]=4 904 B15R0.70 C=CCOC/C=C/CCCCCCCCC 34a_100015232335_100015514636 [1,1,0,0,0,0|1,0,0]=3 905 B15R0.70 C=CCOC/C=C/CCCCCCCCC 7a_100015232335_100015514636 [1,1,0,0,0,0|1,0,0]=3 906 B15R0.70 CCCC/C=C/CCCCOCCCCC 34a_200020645093_100000718602 [1,1,0,0,0,0|1,0,1]=4 907 B15R0.70 CCCC/C=C/CCCCOCCCCC 7a_200020645093_100000210326 [1,1,0,0,0,0|1,0,1]=4 908 B15R0.70 CCCC/C=C/COCCCCCCCC 34a_200016272032_100000210759 [1,1,0,0,0,0|1,0,1]=4 909 B15R0.70 CCCC/C=C/COCCCCCCCC 7a_200016272032_100000210759 [1,1,0,0,0,0|1,0,1]=4 910 B15R0.70 CCCC/C=C\CCCCCCCCOC 34a_100020587526_200000210301 [1,1,0,0,0,0|1,0,1]=4 911 B15R0.70 CCCC/C=C\CCCCCCCCOC 7a_100020587526_200000210301 [1,1,0,0,0,0|1,0,1]=4 912 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 34a_100020587526_200025704644 [1,1,0,0,0,0|1,0,1]=4 913 B15R0.70 CCCC/C=C\CCCCCCCCO[13CH3] 7a_100020587526_200025704644 [1,1,0,0,0,0|1,0,1]=4 914 B15R0.70 CCCC/C=C\CCOCCCCCCC 34a_200016286491_100000210614 [1,1,0,0,0,0|1,0,1]=4 915 B15R0.70 CCCC/C=C\CCOCCCCCCC 7a_200016286491_100000210614 [1,1,0,0,0,0|1,0,1]=4 916 B15R0.70 CCCCCCC/C=C/C=C/COCC=O 34a_200025756345_200009817547 [1,1,0,0,0,0|0,0,2]=4 917 B15R0.70 CCCCCCC/C=C/C=C/COCC=O 7a_200025756345_200015260668 [1,1,0,0,0,0|0,0,2]=4 918 B15R0.70 CCCCCCCCC/C=C/COCC#N 7a_100015232335_100011215382 [1,1,0,0,0,0|1,0,1]=4 919 B15R0.70 CCCCCCCCC/C=C/COCC=O 34a_100015232335_200009817547 [1,1,0,0,0,0|0,0,0]=2 920 B15R0.70 CCCCCCCCC/C=C/COCC=O 7a_100015232335_200015260668 [1,1,0,0,0,0|0,0,0]=2 921 B15R0.70 CCCCCCCCC/C=C/COCCC 34a_100015232335_100000210303 [1,1,0,0,0,0|1,0,1]=4 922 B15R0.70 CCCCCCCCC/C=C/COCCC 7a_100015232335_100000210303 [1,1,0,0,0,0|1,0,1]=4 923 B15R0.70 CCCCCCCCC/C=C/COCCF 34a_100015232335_100011217306 [1,1,0,0,0,0|1,0,1]=4 924 B15R0.70 CCCCCCCCC/C=C/COCCF 7a_100015232335_100011217306 [1,1,0,0,0,0|1,0,1]=4 925 B15R0.70 CCCCCCCCC/C=C/COCCO 34a_100015232335_100000211926 [1,1,0,0,0,0|0,0,1]=3 926 B15R0.70 CCCCCCCCC/C=C/COCCO 7a_100015232335_100000211926 [1,1,0,0,0,0|0,0,1]=3 927 B15R0.70 CCCCCCCCC/C=C/COCSC 34a_100015232335_100011218213 [1,1,0,0,0,0|2,0,0]=4 928 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,1,0,0,0,0|0,0,2]=4 929 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,1,0,0,0,0|0,0,2]=4 930 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [1,1,0,0,0,0|0,0,2]=4 931 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [1,1,0,0,0,0|0,0,2]=4 932 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [1,1,0,0,0,0|0,0,2]=4 933 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [1,1,0,0,0,0|0,0,2]=4 934 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [1,1,0,0,0,0|0,0,2]=4 935 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [1,1,0,0,0,0|0,0,2]=4 936 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [1,1,0,0,0,0|0,0,2]=4 937 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [1,1,0,0,0,0|0,0,2]=4 938 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [1,1,0,0,0,0|0,0,2]=4 939 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [1,1,0,0,0,0|0,0,2]=4 940 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [1,1,0,0,0,0|0,0,2]=4 941 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [1,1,0,0,0,0|0,0,2]=4 942 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [1,1,0,0,0,0|0,0,2]=4 943 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [1,1,0,0,0,0|1,0,1]=4 944 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [1,1,0,0,0,0|1,0,1]=4 945 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [1,1,0,0,0,0|1,0,1]=4 946 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [1,1,0,0,0,0|1,0,1]=4 947 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [1,1,0,0,0,0|1,0,1]=4 948 B15R0.149 CCCCCCC(C)CCOCCCC=O 7a_200011024964_200011292268 [1,1,0,0,0,0|1,0,1]=4 949 B15R0.149 CCCCCCCCC(C)OCCCC=O 7a_100000210740_200011292268 [1,1,0,0,0,0|1,0,1]=4 950 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000757094 [1,1,0,0,0,0|1,0,1]=4 951 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000766728_100000210670 [1,1,0,0,0,0|1,0,1]=4 952 B15R0.322 C=CCCNC(=O)CCCCCCCCC 11a_100015191253_100000210558 [1,1,0,0,0,0|2,0,0]=4 953 B15R0.322 C=CCCNC(=O)CCCCCCCCC 1626a_100015191253_100000210558 [1,1,0,0,0,0|2,0,0]=4 954 B15R0.322 C=CCCNC(=O)CCCCCCCCC 240690a_100015191253_100000210558 [1,1,0,0,0,0|2,0,0]=4 955 B15R0.322 C=CCCNC(=O)CCCCCCCCC 527a_100015191253_100000210558 [1,1,0,0,0,0|2,0,0]=4 956 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [1,1,0,0,0,0|0,0,2]=4 957 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [1,1,0,0,0,0|0,0,2]=4 958 B15R0.322 CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210558 [1,1,0,0,0,0|1,0,1]=4 959 B15R0.322 CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000210558 [1,1,0,0,0,0|1,0,1]=4 960 B15R0.322 CCCCCCCCCN(C)CCCC=O 2230a_100000232482_200011292268 [1,1,0,0,0,0|1,0,1]=4 961 B15R0.322 CCCCCCCCCN(C)CCCC=O 269982a_100000232482_200011292268 [1,1,0,0,0,0|1,0,1]=4 962 B15R0.366 C=CCC(=O)C=CCCCCCCCCC 1458a_200015352897_100000210623 [1,1,0,0,0,0|1,0,1]=4 963 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [1,1,0,0,0,0|0,0,2]=4 964 B15R0.2002 C=CCCC(=O)C=CCCCCCCCC 1458a_100015345288_100000754431 [1,1,0,0,0,0|1,0,1]=4 965 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [1,1,0,0,0,0|1,0,1]=4 966 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [1,1,0,0,0,0|1,0,1]=4 967 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 11a_100000212291_100000749702 [1,1,0,0,0,0|2,0,0]=4 968 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 1626a_100000212291_100000749702 [1,1,0,0,0,0|2,0,0]=4 969 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 240690a_100000212291_100000749702 [1,1,0,0,0,0|2,0,0]=4 970 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 527a_100000212291_100000749702 [1,1,0,0,0,0|2,0,0]=4 971 B15R0.2002 CCCCC(C)CCCCOCCCC=O 7a_200011021034_200011292268 [1,1,0,0,0,0|1,0,1]=4 972 B15R0.2002 CCCCCCCCC=CC(=O)CCCO 1458a_100015345288_100011215043 [1,1,0,0,0,0|0,0,2]=4 973 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [1,1,0,0,0,0|0,0,2]=4 974 B15R0.69 CCCCCCCCC=CC(=O)CC(=O)N 1458a_100015345288_100000187820 [1,1,0,0,0,0|1,0,1]=4 975 B15R0.69 CCCCCCCCC=CC(=O)CC(=O)[O-] 1458a_100015345288_100020667443 [1,1,0,0,0,0|0,0,2]=4 976 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [1,1,0,0,0,0|1,0,1]=4 977 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [1,1,0,0,0,0|1,0,1]=4 978 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [1,1,0,0,0,0|0,0,2]=4 979 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [1,1,0,0,0,0|1,0,1]=4 980 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 240690a_100000212291_100134613110 [1,1,0,0,0,0|2,0,0]=4 981 B15R0.69 CCCCCCCCCNC(=O)CC(=O)N 527a_100000212291_100134613110 [1,1,0,0,0,0|2,0,0]=4 982 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [1,1,0,0,0,0|1,0,1]=4 983 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [1,1,0,0,0,0|2,0,0]=4 984 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [1,1,0,0,0,0|1,0,1]=4 985 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [1,1,0,0,0,0|1,0,0]=3 986 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [1,1,0,0,0,0|1,0,0]=3 987 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [1,1,0,0,0,0|2,0,0]=4 988 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [1,1,0,0,0,0|2,0,0]=4 989 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [1,1,0,0,0,0|2,0,0]=4 990 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [1,1,0,0,0,0|2,0,0]=4 991 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_100000210558_100000730704 [1,1,0,0,0,0|2,0,0]=4 992 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_200000688413_100000210670 [1,1,0,0,0,0|2,0,0]=4 993 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [1,1,0,0,0,0|1,0,0]=3 994 B15R0.88 CCCCCCCCCC(=O)CCC(C)O 1458a_100000210558_100012276601 [1,1,0,0,0,0|1,0,1]=4 995 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [1,1,0,0,0,0|1,0,1]=4 996 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [1,1,0,0,0,0|2,0,0]=4 997 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [1,1,0,0,0,0|2,0,0]=4 998 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [1,1,0,0,0,0|2,0,0]=4 999 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [1,1,0,0,0,0|2,0,0]=4 1000 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [1,1,0,0,0,0|2,0,0]=4 1001 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [1,1,0,0,0,0|2,0,0]=4 1002 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [1,1,0,0,0,0|2,0,0]=4 1003 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [1,1,0,0,0,0|2,0,0]=4 1004 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [1,1,0,0,0,0|2,0,0]=4 1005 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [1,1,0,0,0,0|2,0,0]=4 1006 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [1,1,0,0,0,0|2,0,0]=4 1007 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [1,1,0,0,0,0|2,0,0]=4 1008 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 240690a_100000229939_100011215257 [1,1,0,0,0,0|2,0,0]=4 1009 B15R0.88 CCCCCCCCNC(=O)CCC(=O)N 527a_100000229939_100011215257 [1,1,0,0,0,0|2,0,0]=4 1010 B15R0.88 CCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210614 [1,1,0,0,0,0|2,0,0]=4 1011 B15R0.88 CCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210757 [1,1,0,0,0,0|2,0,0]=4 1012 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [1,1,0,0,0,0|2,0,0]=4 1013 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [1,1,0,0,0,0|2,0,0]=4 1014 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [1,1,0,0,0,0|2,0,0]=4 1015 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [1,1,0,0,0,0|2,0,0]=4 1016 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [1,1,0,0,0,0|2,0,0]=4 1017 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [1,1,0,0,0,0|2,0,0]=4 1018 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [1,1,0,0,0,0|2,0,0]=4 1019 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [1,1,0,0,0,0|2,0,0]=4 1020 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [1,1,0,0,0,0|2,0,0]=4 1021 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [1,1,0,0,0,0|2,0,0]=4 1022 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [1,1,0,0,0,0|1,0,1]=4 1023 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [1,1,0,0,0,0|1,0,1]=4 1024 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210188 [1,1,0,0,0,0|2,0,0]=4 1025 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210188 [1,1,0,0,0,0|2,0,0]=4 1026 B15R0.367 CCCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000210188 [1,1,0,0,0,0|2,0,0]=4 1027 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [1,1,0,0,0,0|2,0,0]=4 1028 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [1,1,0,0,0,0|2,0,0]=4 1029 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [1,1,0,0,0,0|2,0,0]=4 1030 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [1,1,0,0,0,0|1,0,1]=4 1031 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)C 1458a_200011667753_100011215641 [0,2,0,0,0,0|1,0,1]=4 1032 B17R0.232 CCCCCCCC(O)CC(=O)CCCC(=O)N 1458a_200011667753_100102525003 [0,2,0,0,0,0|1,0,1]=4 1033 B17R0.232 CCCCCCCC(O)CC(=O)NCCC(=O)N 240690a_100000740010_200011667753 [0,2,0,0,0,0|2,0,0]=4 1034 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)OC 34a_200011021034_100000742333 [0,2,0,0,0,0|1,0,1]=4 1035 B17R0.5801 CCCCC(C)CCCCOCCCC(=O)OC 7a_200011021034_100011218270 [0,2,0,0,0,0|1,0,1]=4 1036 B17R0.133 CCCCCCC(C)CCOCCCC(=O)OC 34a_200011024964_100000742333 [0,2,0,0,0,0|1,0,1]=4 1037 B17R0.133 CCCCCCC(C)CCOCCCC(=O)OC 7a_200011024964_100011218270 [0,2,0,0,0,0|1,0,1]=4 1038 B17R0.97 CCCCCCCCC(C)COCCC(=O)OC 34a_200012125181_100000742370 [0,2,0,0,0,0|1,0,1]=4 1039 B17R0.97 CCCCCCCCC(C)COCCC(=O)OC 7a_200012125181_100000204255 [0,2,0,0,0,0|1,0,1]=4 1040 B17R0.97 CCCCCCCCC(C)OCCCC(=O)OC 34a_100000210740_100000742333 [0,2,0,0,0,0|1,0,1]=4 1041 B17R0.97 CCCCCCCCC(C)OCCCC(=O)OC 7a_100000210740_100011218270 [0,2,0,0,0,0|1,0,1]=4 1042 B17R0.195 C=C(C#N)COC/C=C/CCCCCCCCC 34a_100015232335_100000694840 [0,2,0,0,0,0|2,0,0]=4 1043 B17R0.195 C=CC(O)COC/C=C/CCCCCCCCC 34a_100015232335_100000730141 [0,2,0,0,0,0|1,0,1]=4 1044 B17R0.195 C=CC(O)COC/C=C/CCCCCCCCC 7a_100015232335_100000730141 [0,2,0,0,0,0|1,0,1]=4 1045 B17R0.195 CCCCCCC/C=C/C=C/COCC(=O)OC 34a_200025756345_100000747449 [0,2,0,0,0,0|0,0,2]=4 1046 B17R0.195 CCCCCCC/C=C/C=C/COCC(=O)OC 7a_200025756345_100000747449 [0,2,0,0,0,0|0,0,2]=4 1047 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 34a_200020667288_100000742370 [0,2,0,0,0,0|0,0,2]=4 1048 B17R0.195 CCCCCCCC/C=C/COCCC(=O)OC 7a_200020667288_100000204255 [0,2,0,0,0,0|0,0,2]=4 1049 B17R0.195 CCCCCCCCC/C=C/COCC(=O)CC 7a_100015232335_100000747405 [0,2,0,0,0,0|1,0,0]=3 1050 B17R0.195 CCCCCCCCC/C=C/COCC(=O)NC 34a_100015232335_100000183359 [0,2,0,0,0,0|1,0,0]=3 1051 B17R0.195 CCCCCCCCC/C=C/COCC(=O)NC 7a_100015232335_100000183359 [0,2,0,0,0,0|1,0,0]=3 1052 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 34a_100015232335_100000747449 [0,2,0,0,0,0|0,0,0]=2 1053 B17R0.195 CCCCCCCCC/C=C/COCC(=O)OC 7a_100015232335_100000747449 [0,2,0,0,0,0|0,0,0]=2 1054 B17R0.195 CCCCCCCCC/C=C/COCC(O)CC 34a_100015232335_100011218378 [0,2,0,0,0,0|1,0,1]=4 1055 B17R0.195 CCCCCCCCC/C=C/COCC(O)CC 7a_100015232335_100011218378 [0,2,0,0,0,0|1,0,1]=4 1056 B17R0.195 CCCCCCCCC/C=C/COCC(O)CO 34a_100015232335_100011219619 [0,2,0,0,0,0|0,0,2]=4 1057 B17R0.195 CCCCCCCCC/C=C/COCC(O)CO 7a_100015232335_100011219619 [0,2,0,0,0,0|0,0,2]=4 1058 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](C)CO 34a_100015232335_100000059175 [0,2,0,0,0,0|1,0,1]=4 1059 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](C)CO 7a_100015232335_100000059175 [0,2,0,0,0,0|1,0,1]=4 1060 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](O)CF 34a_100015232335_100015614560 [0,2,0,0,0,0|1,0,1]=4 1061 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](O)CF 7a_100015232335_100015614560 [0,2,0,0,0,0|1,0,1]=4 1062 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](O)CO 34a_100015232335_100009815848 [0,2,0,0,0,0|0,0,2]=4 1063 B17R0.195 CCCCCCCCC/C=C/COC[C@@H](O)CO 7a_100015232335_100009815848 [0,2,0,0,0,0|0,0,2]=4 1064 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [0,2,0,0,0,0|0,0,2]=4 1065 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 240690a_100011215765_100000210174 [0,2,0,0,0,0|0,0,2]=4 1066 B17R0.195 CCCCCCCCCCCCCNC(=O)CO 527a_100011215765_100000210174 [0,2,0,0,0,0|0,0,2]=4 1067 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 2230a_100000210451_100000747449 [0,2,0,0,0,0|0,0,2]=4 1068 B17R0.195 CCCCCCCCCCCCNCC(=O)OC 34a_100000210451_100000747449 [0,2,0,0,0,0|0,0,2]=4 1069 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 34a_100000210810_100000747449 [0,2,0,0,0,0|0,0,2]=4 1070 B17R0.195 CCCCCCCCCCCCOCC(=O)OC 7a_100000210810_100000747449 [0,2,0,0,0,0|0,0,2]=4 1071 B17R0.195 CCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100000759014 [0,2,0,0,0,0|0,0,2]=4 1072 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 2230a_200011215754_100000204255 [0,2,0,0,0,0|0,0,2]=4 1073 B17R0.195 CCCCCCCCCCCNCCC(=O)OC 34a_200011215754_100000742370 [0,2,0,0,0,0|0,0,2]=4 1074 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 34a_100000210809_100000742370 [0,2,0,0,0,0|0,0,2]=4 1075 B17R0.195 CCCCCCCCCCCOCCC(=O)OC 7a_100000210809_100000204255 [0,2,0,0,0,0|0,0,2]=4 1076 B17R0.195 CCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100011215454 [0,2,0,0,0,0|0,0,2]=4 1077 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 2230a_100000684558_100011218270 [0,2,0,0,0,0|0,0,2]=4 1078 B17R0.195 CCCCCCCCCCNCCCC(=O)OC 34a_100000684558_100000742333 [0,2,0,0,0,0|0,0,2]=4 1079 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 34a_100000210711_100000742333 [0,2,0,0,0,0|0,0,2]=4 1080 B17R0.195 CCCCCCCCCCOCCCC(=O)OC 7a_100000210711_100011218270 [0,2,0,0,0,0|0,0,2]=4 1081 B17R0.195 CCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210320 [0,2,0,0,0,0|1,0,1]=4 1082 B17R0.195 CCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210320 [0,2,0,0,0,0|1,0,1]=4 1083 B17R0.195 CCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210320 [0,2,0,0,0,0|0,0,2]=4 1084 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 2230a_100000212291_100000204269 [0,2,0,0,0,0|0,0,2]=4 1085 B17R0.195 CCCCCCCCCNCCCCC(=O)OC 34a_100000212291_100000204269 [0,2,0,0,0,0|0,0,2]=4 1086 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 2230a_100000212291_100000090808 [0,2,0,0,0,0|1,0,1]=4 1087 B17R0.195 CCCCCCCCCNCCOCC(=O)OC 34a_100000212291_100000090808 [0,2,0,0,0,0|1,0,1]=4 1088 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100011214924 [0,2,0,0,0,0|0,0,2]=4 1089 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 34a_100000210712_100000204269 [0,2,0,0,0,0|0,0,2]=4 1090 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210328 [0,2,0,0,0,0|0,0,2]=4 1091 B17R0.195 CCCCCCCCCOCCCCC(=O)OC 7a_100000210712_100000204269 [0,2,0,0,0,0|0,0,2]=4 1092 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 34a_100000210712_100000090808 [0,2,0,0,0,0|1,0,1]=4 1093 B17R0.195 CCCCCCCCCOCCOCC(=O)OC 7a_100000210712_100000090808 [0,2,0,0,0,0|1,0,1]=4 1094 B17R0.195 CCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210670 [0,2,0,0,0,0|0,0,2]=4 1095 B17R0.195 CCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210670 [0,2,0,0,0,0|1,0,1]=4 1096 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 2230a_100000229939_100009816466 [0,2,0,0,0,0|0,0,2]=4 1097 B17R0.195 CCCCCCCCNCCCCCC(=O)OC 34a_100000229939_100009816466 [0,2,0,0,0,0|0,0,2]=4 1098 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210759 [0,2,0,0,0,0|0,0,2]=4 1099 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 34a_100000210232_100009816466 [0,2,0,0,0,0|0,0,2]=4 1100 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210759 [0,2,0,0,0,0|0,0,2]=4 1101 B17R0.195 CCCCCCCCOCCCCCC(=O)OC 7a_100000210232_100009816466 [0,2,0,0,0,0|0,0,2]=4 1102 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100000210759_100009816466 [0,2,0,0,0,0|0,0,2]=4 1103 B17R0.195 CCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210317 [0,2,0,0,0,0|0,0,2]=4 1104 B17R0.195 CCCCCCCNCCCCCCC(=O)OC 2230a_100000229938_100009815986 [0,2,0,0,0,0|0,0,2]=4 1105 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100000210272_100009815986 [0,2,0,0,0,0|0,0,2]=4 1106 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210614 [0,2,0,0,0,0|0,0,2]=4 1107 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100000210272_100009815986 [0,2,0,0,0,0|0,0,2]=4 1108 B17R0.195 CCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210614 [0,2,0,0,0,0|0,0,2]=4 1109 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100000210614_100009815986 [0,2,0,0,0,0|0,0,2]=4 1110 B17R0.195 CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210316 [0,2,0,0,0,0|0,0,2]=4 1111 B17R0.195 CCCCCCNCCCCCCCC(=O)OC 2230a_100000210581_100010004213 [0,2,0,0,0,0|0,0,2]=4 1112 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100000210259_100010004213 [0,2,0,0,0,0|0,0,2]=4 1113 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210314 [0,2,0,0,0,0|0,0,2]=4 1114 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100000210259_100010004213 [0,2,0,0,0,0|0,0,2]=4 1115 B17R0.195 CCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210314 [0,2,0,0,0,0|0,0,2]=4 1116 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100000210314_100010004213 [0,2,0,0,0,0|0,0,2]=4 1117 B17R0.195 CCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210757 [0,2,0,0,0,0|0,0,2]=4 1118 B17R0.195 CCCCCNCCCCCCCCC(=O)OC 2230a_100000209983_100010282707 [0,2,0,0,0,0|0,0,2]=4 1119 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000718602 [0,2,0,0,0,0|0,0,2]=4 1120 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 34a_100000210253_100010282707 [0,2,0,0,0,0|0,0,2]=4 1121 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210326 [0,2,0,0,0,0|0,0,2]=4 1122 B17R0.195 CCCCCOCCCCCCCCC(=O)OC 7a_100000210253_100010282707 [0,2,0,0,0,0|0,0,2]=4 1123 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100000210326_100010282707 [0,2,0,0,0,0|0,0,2]=4 1124 B17R0.195 CCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210326 [0,2,0,0,0,0|0,0,2]=4 1125 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 2230a_100000102301_100009813843 [0,2,0,0,0,0|0,0,2]=4 1126 B17R0.195 CCCCNCCCCCCCCCC(=O)OC 7a_106832991798_100009813843 [0,2,0,0,0,0|0,0,2]=4 1127 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 34a_100000210227_100009813843 [0,2,0,0,0,0|0,0,2]=4 1128 B17R0.195 CCCCOCCCCCCCCCC(=O)OC 7a_100000210227_100009813843 [0,2,0,0,0,0|0,0,2]=4 1129 B17R0.195 CCCCSCCCCCCCCCC(=O)OC 62a_100000210211_100009813843 [0,2,0,0,0,0|0,0,2]=4 1130 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100000210258_100009812566 [0,2,0,0,0,0|0,0,2]=4 1131 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210303 [0,2,0,0,0,0|0,0,2]=4 1132 B17R0.195 CCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210303 [0,2,0,0,0,0|0,0,2]=4 1133 B17R0.195 CCCSCCCCCCCCCCC(=O)OC 62a_100000210303_100009812566 [0,2,0,0,0,0|0,0,2]=4 1134 B17R0.195 CCNCCCCCCCCCCCC(=O)OC 2230a_100015525214_100010983606 [0,2,0,0,0,0|0,0,2]=4 1135 B17R0.195 CCOCCCCCCCCCCCC(=O)OC 34a_100121572206_100010983606 [0,2,0,0,0,0|0,0,2]=4 1136 B17R0.195 CCSCCCCCCCCCCCC(=O)OC 62a_100000210202_100010983606 [0,2,0,0,0,0|0,0,2]=4 1137 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 2230a_106832991635_209314222159 [0,2,0,0,0,0|0,0,2]=4 1138 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 34a_100102657272_209314222159 [0,2,0,0,0,0|0,0,2]=4 1139 B17R0.195 CNCCCCCCCCCCCCC(=O)OC 7a_106832991635_209314222159 [0,2,0,0,0,0|0,0,2]=4 1140 B17R0.195 COC(=O)CCCCCCCCCCCCSC 62a_200000210301_209314222159 [0,2,0,0,0,0|0,0,2]=4 1141 B17R0.195 COC(=O)CCCCCCCCCCCCS[13CH3] 62a_200025704644_209314222159 [0,2,0,0,0,0|0,0,2]=4 1142 B17R0.195 COC(=O)CCCNCCCCCCCCCO 2230a_100000078944_100011218270 [0,2,0,0,0,0|1,0,1]=4 1143 B17R0.195 COC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000742333 [0,2,0,0,0,0|1,0,1]=4 1144 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000742333 [0,2,0,0,0,0|1,0,1]=4 1145 B17R0.195 COC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011218270 [0,2,0,0,0,0|1,0,1]=4 1146 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000742333 [0,2,0,0,0,0|1,0,1]=4 1147 B17R0.195 COC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011218270 [0,2,0,0,0,0|1,0,1]=4 1148 B17R0.195 COC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000742333 [0,2,0,0,0,0|1,0,1]=4 1149 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011218270 [0,2,0,0,0,0|1,0,1]=4 1150 B17R0.195 COC(=O)CCCSCCCCCCCCCO 62a_100011218270_100009813782 [0,2,0,0,0,0|1,0,1]=4 1151 B17R0.195 COC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000204255 [0,2,0,0,0,0|1,0,1]=4 1152 B17R0.195 COC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000742370 [0,2,0,0,0,0|1,0,1]=4 1153 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000742370 [0,2,0,0,0,0|1,0,1]=4 1154 B17R0.195 COC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000204255 [0,2,0,0,0,0|1,0,1]=4 1155 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000742370 [0,2,0,0,0,0|1,0,1]=4 1156 B17R0.195 COC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000204255 [0,2,0,0,0,0|1,0,1]=4 1157 B17R0.195 COC(=O)CCOCCCCCCCCCCN 34a_100000066964_100000742370 [0,2,0,0,0,0|1,0,1]=4 1158 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100000204255_200000033068 [0,2,0,0,0,0|1,0,1]=4 1159 B17R0.195 COC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000204255 [0,2,0,0,0,0|1,0,1]=4 1160 B17R0.195 COCCCCCCCCCCCCC(=O)OC 34a_100138415774_209314222159 [0,2,0,0,0,0|0,0,2]=4 1161 B17R0.195 O=C(CO)CCCCCCCCCCCCCO 1458a_100000210174_100009812470 [0,2,0,0,0,0|0,0,2]=4 1162 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [0,2,0,0,0,0|0,0,2]=4 1163 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [0,2,0,0,0,0|0,0,2]=4 1164 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [0,2,0,0,0,0|0,0,2]=4 1165 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [0,2,0,0,0,0|1,0,1]=4 1166 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [0,2,0,0,0,0|1,0,1]=4 1167 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [0,2,0,0,0,0|1,0,1]=4 1168 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [0,2,0,0,0,0|1,0,1]=4 1169 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [0,2,0,0,0,0|1,0,1]=4 1170 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [0,2,0,0,0,0|1,0,1]=4 1171 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [0,2,0,0,0,0|1,0,1]=4 1172 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [0,2,0,0,0,0|1,0,1]=4 1173 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [0,2,0,0,0,0|1,0,1]=4 1174 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [0,2,0,0,0,0|1,0,1]=4 1175 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [0,2,0,0,0,0|1,0,1]=4 1176 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CO 1458a_100000210174_200011217028 [0,2,0,0,0,0|0,0,2]=4 1177 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)OC 34a_100000684558_100000698445 [0,2,0,0,0,0|1,0,1]=4 1178 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 34a_100000210711_100000698445 [0,2,0,0,0,0|1,0,1]=4 1179 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210320 [0,2,0,0,0,0|1,0,1]=4 1180 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210320 [0,2,0,0,0,0|1,0,1]=4 1181 B17R0.3112 CCCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210320 [0,2,0,0,0,0|1,0,1]=4 1182 B17R0.3112 CCCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210320 [0,2,0,0,0,0|1,0,1]=4 1183 B17R0.3112 CCCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210320 [0,2,0,0,0,0|1,0,1]=4 1184 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 2230a_100000212291_100000034942 [0,2,0,0,0,0|1,0,1]=4 1185 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 34a_100000212291_100000034942 [0,2,0,0,0,0|1,0,1]=4 1186 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 34a_100000210712_100000034942 [0,2,0,0,0,0|1,0,1]=4 1187 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 7a_100000210712_100000034942 [0,2,0,0,0,0|1,0,1]=4 1188 B17R0.3112 CCCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210670 [0,2,0,0,0,0|1,0,1]=4 1189 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210558_100000741757 [0,2,0,0,0,0|1,0,1]=4 1190 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210558_100011218270 [0,2,0,0,0,0|0,0,1]=3 1191 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210670 [0,2,0,0,0,0|0,0,1]=3 1192 B17R0.8798 CCCCCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210670 [0,2,0,0,0,0|1,0,1]=4 1193 B17R0.8798 CCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210558 [0,2,0,0,0,0|2,0,0]=4 1194 B17R0.8798 CCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210558 [0,2,0,0,0,0|2,0,0]=4 1195 B17R0.8798 CCCCCCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210558 [0,2,0,0,0,0|2,0,0]=4 1196 B17R0.8798 CCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210558 [0,2,0,0,0,0|1,0,0]=3 1197 B17R0.8798 CCCCCCCCCC(C)OCCC(=O)OC 34a_100011218016_100000742370 [0,2,0,0,0,0|1,0,1]=4 1198 B17R0.8798 CCCCCCCCCC(C)OCCC(=O)OC 7a_100011218016_100000204255 [0,2,0,0,0,0|1,0,1]=4 1199 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 2230a_100000232482_100011218270 [0,2,0,0,0,0|1,0,1]=4 1200 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 269982a_100000232482_100011218270 [0,2,0,0,0,0|1,0,1]=4 1201 B17R0.8798 CCCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210670 [0,2,0,0,0,0|1,0,1]=4 1202 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 11a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 1203 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 1626a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 1204 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 240690a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 1205 B17R0.8798 CCCCCCCCNC(=O)CCCC(=O)OC 527a_100000229939_100000239890 [0,2,0,0,0,0|1,0,1]=4 1206 B17R0.8798 CCCCCCCNCC(=O)NCCC(=O)OC 2230a_100000229938_100000230212 [0,2,0,0,0,0|2,0,0]=4 1207 B17R0.8798 CCCCCCCOCC(=O)NCCC(=O)OC 34a_100000210272_100000230212 [0,2,0,0,0,0|2,0,0]=4 1208 B17R0.8798 CCCCCCCOCC(=O)NCCC(=O)OC 7a_100000210272_100000230212 [0,2,0,0,0,0|2,0,0]=4 1209 B17R0.8798 CCCCCCCSCC(=O)NCCC(=O)OC 62a_100000210614_100000230212 [0,2,0,0,0,0|2,0,0]=4 1210 B17R0.8798 CCCCCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210316 [0,2,0,0,0,0|2,0,0]=4 1211 B17R0.8798 COC(=O)CCCC(=O)CCCCCCCCO 1458a_100000239890_100000033203 [0,2,0,0,0,0|1,0,1]=4 1212 B17R0.8798 COC(=O)CCNC(=O)CCCCCCCCO 188690a_100000683876_100000015970 [0,2,0,0,0,0|2,0,0]=4 1213 B17R0.12415 CCCCCCCCC=CC(=O)NCC(=O)OC 188690a_100000185156_100015345288 [0,2,0,0,0,0|1,0,1]=4 1214 B17R0.12415 CCCCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210319 [0,2,0,0,0,0|1,0,1]=4 1215 B17R0.12415 CCCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210319 [0,2,0,0,0,0|0,0,1]=3 1216 B17R0.12415 CCCCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210319 [0,2,0,0,0,0|1,0,1]=4 1217 B17R0.12415 CCCCCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210375 [0,2,0,0,0,0|1,0,1]=4 1218 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 2230a_100000207566_100000204255 [0,2,0,0,0,0|1,0,1]=4 1219 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 269982a_100000207566_100000204255 [0,2,0,0,0,0|1,0,1]=4 1220 B17R0.12415 CCCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210320 [0,2,0,0,0,0|1,0,1]=4 1221 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)NC 11a_100000212291_100011309844 [0,2,0,0,0,0|2,0,0]=4 1222 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)NC 1626a_100000212291_100011309844 [0,2,0,0,0,0|2,0,0]=4 1223 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)NC 240690a_100000212291_100011309844 [0,2,0,0,0,0|2,0,0]=4 1224 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)NC 527a_100000212291_100011309844 [0,2,0,0,0,0|2,0,0]=4 1225 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 11a_100000212291_100000187943 [0,2,0,0,0,0|1,0,0]=3 1226 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 1626a_100000212291_100000187943 [0,2,0,0,0,0|1,0,0]=3 1227 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 240690a_100000212291_100000187943 [0,2,0,0,0,0|1,0,0]=3 1228 B17R0.12415 CCCCCCCCCNC(=O)CCC(=O)OC 527a_100000212291_100000187943 [0,2,0,0,0,0|1,0,0]=3 1229 B17R0.12415 CCCCCCCCCNC(=O)CNC(=O)OC 11a_100000212291_100000215747 [0,2,0,0,0,0|2,0,0]=4 1230 B17R0.12415 CCCCCCCCCNC(=O)CNC(=O)OC 1626a_100000212291_100000215747 [0,2,0,0,0,0|2,0,0]=4 1231 B17R0.12415 CCCCCCCCCNC(=O)CNC(=O)OC 240690a_100000212291_100000215747 [0,2,0,0,0,0|2,0,0]=4 1232 B17R0.12415 CCCCCCCCCNC(=O)CNC(=O)OC 527a_100000212291_100000215747 [0,2,0,0,0,0|2,0,0]=4 1233 B17R0.12415 CCCCCCCCNCC(=O)CCC(=O)OC 2230a_100000229939_100000691467 [0,2,0,0,0,0|1,0,1]=4 1234 B17R0.12415 CCCCCCCCNCC(=O)CCC(=O)OC 34a_100000229939_100000691467 [0,2,0,0,0,0|1,0,1]=4 1235 B17R0.12415 CCCCCCCCOCC(=O)CCC(=O)OC 34a_100000210232_100000691467 [0,2,0,0,0,0|1,0,1]=4 1236 B17R0.12415 CCCCCCCCOCC(=O)CCC(=O)OC 7a_100000210232_100000691467 [0,2,0,0,0,0|1,0,1]=4 1237 B17R0.12415 CCCCCCCCSCC(=O)CCC(=O)OC 62a_100000210759_100000691467 [0,2,0,0,0,0|1,0,1]=4 1238 B17R0.12415 CCCCCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210317 [0,2,0,0,0,0|1,0,1]=4 1239 B17R0.12415 COC(=O)CCC(=O)CCCCCCCCCO 1458a_100000187943_100009813782 [0,2,0,0,0,0|1,0,1]=4 1240 B17R0.12415 COC(=O)CCC(=O)NCCCCCCCCO 240690a_102515433106_100000187943 [0,2,0,0,0,0|2,0,0]=4 1241 B17R0.13601 CCCCCCCCCC=CC(=O)CC(=O)CC 1458a_200015352897_100000747405 [0,2,0,0,0,0|1,0,1]=4 1242 B17R0.13601 CCCCCCCCCC=CC(=O)CC(=O)NC 1458a_200015352897_100000183359 [0,2,0,0,0,0|1,0,1]=4 1243 B17R0.13601 CCCCCCCCCC=CC(=O)CC(=O)OC 1458a_200015352897_100000747449 [0,2,0,0,0,0|0,0,1]=3 1244 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 2230a_100000684558_100009817358 [0,2,0,0,0,0|1,0,1]=4 1245 B17R0.13601 CCCCCCCCCCNC(C)CC(=O)OC 34a_100000684558_100009817358 [0,2,0,0,0,0|1,0,1]=4 1246 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 34a_100000210711_100009817358 [0,2,0,0,0,0|1,0,1]=4 1247 B17R0.13601 CCCCCCCCCCOC(C)CC(=O)OC 7a_100000210711_100009817358 [0,2,0,0,0,0|1,0,1]=4 1248 B17R0.13601 CCCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210320 [0,2,0,0,0,0|1,0,1]=4 1249 B17R0.13601 CCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000212291_100000754131 [0,2,0,0,0,0|1,0,1]=4 1250 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210712_100000754131 [0,2,0,0,0,0|1,0,1]=4 1251 B17R0.13601 CCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210712_100000754131 [0,2,0,0,0,0|1,0,1]=4 1252 B17R0.13601 CCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210670 [0,2,0,0,0,0|1,0,1]=4 1253 B17R0.14245 CC(CNCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813290 [0,2,0,0,0,0|1,0,1]=4 1254 B17R0.14245 CCCCCCCCC/C=C/COC(C)C(=O)C 7a_100015232335_100000179758 [0,2,0,0,0,0|1,0,0]=3 1255 B17R0.14245 CCCCCCCCC/C=C/COC(C)C(=O)N 34a_100015232335_100000702099 [0,2,0,0,0,0|1,0,0]=3 1256 B17R0.14245 CCCCCCCCC/C=C/COC(C)C(=O)N 7a_100015232335_100000702099 [0,2,0,0,0,0|1,0,0]=3 1257 B17R0.14245 CCCCCCCCC/C=C/COC(F)C(=O)N 34a_100015232335_100009813875 [0,2,0,0,0,0|1,0,0]=3 1258 B17R0.14245 CCCCCCCCC/C=C/COC(F)C(=O)N 7a_100015232335_100009813875 [0,2,0,0,0,0|1,0,0]=3 1259 B17R0.14245 CCCCCCCCC/C=C/COC(F)C(=O)[O-] 34a_100015232335_100020610796 [0,2,0,0,0,0|0,0,1]=3 1260 B17R0.14245 CCCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210684 [0,2,0,0,0,0|0,0,2]=4 1261 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210684 [0,2,0,0,0,0|0,0,2]=4 1262 B17R0.14245 CCCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210684 [0,2,0,0,0,0|0,0,2]=4 1263 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [0,2,0,0,0,0|0,0,2]=4 1264 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [0,2,0,0,0,0|0,0,2]=4 1265 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [0,2,0,0,0,0|0,0,2]=4 1266 B17R0.14245 O=C(O)C(F)CNCCCCCCCCCCO 269956a_100000084737_100009813290 [0,2,0,0,0,0|1,0,1]=4 1267 B17R0.14363 COC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000742333 [0,2,0,0,0,0|1,0,1]=4 1268 B17R0.14363 COC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011218270 [0,2,0,0,0,0|1,0,1]=4 1269 B17R0.191 CCCCCCCCCC=CC(=O)C(C)C(=O)C 1458a_200015352897_100000179758 [0,2,0,0,0,0|1,0,1]=4 1270 B17R0.191 CCCCCCCCCC=CC(=O)C(C)C(=O)N 1458a_200015352897_100000702099 [0,2,0,0,0,0|1,0,1]=4 1271 B17R0.191 CCCCCCCCCC=CC(=O)C(F)C(=O)N 1458a_200015352897_100009813875 [0,2,0,0,0,0|1,0,1]=4 1272 B17R0.191 CCCCCCCCCC=CC(=O)C(F)C(=O)[O-] 1458a_200015352897_100020610796 [0,2,0,0,0,0|0,0,2]=4 1273 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210320 [0,2,0,0,0,0|1,0,1]=4 1274 B17R0.3218 CCCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210320 [0,2,0,0,0,0|1,0,1]=4 1275 B17R0.38 CC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215641 [0,2,0,0,0,0|1,0,1]=4 1276 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)C 1458a_100015345288_100011215641 [0,2,0,0,0,0|1,0,1]=4 1277 B17R0.38 CCCCCCCCC=CC(=O)CCCC(=O)N 1458a_100015345288_100102525003 [0,2,0,0,0,0|1,0,1]=4 1278 B17R0.38 CCCCCCCCC=CC(=O)CCNC(=O)C 1458a_100015345288_100000189650 [0,2,0,0,0,0|1,0,1]=4 1279 B17R0.38 CCCCCCCCC=CC(=O)CCNC(=O)N 1458a_100015345288_200000034859 [0,2,0,0,0,0|1,0,1]=4 1280 B17R0.38 CCCCCCCCC=CC(=O)CCOC(=O)C 1458a_100015345288_100009814007 [0,2,0,0,0,0|1,0,1]=4 1281 B17R0.38 CCCCCCCCC=CC(=O)CCOC(=O)N 1458a_100015345288_200011214921 [0,2,0,0,0,0|1,0,1]=4 1282 B17R0.38 CCCCCCCCC=CC(=O)NCCC(=O)N 11a_100000740010_100015345288 [0,2,0,0,0,0|1,0,1]=4 1283 B17R0.38 CCCCCCCCC=CC(=O)NCCC(=O)N 240690a_100000740010_100015345288 [0,2,0,0,0,0|1,0,1]=4 1284 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [0,2,0,0,0,0|1,0,1]=4 1285 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210375_100102525003 [0,2,0,0,0,0|1,0,1]=4 1286 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210319 [0,2,0,0,0,0|1,0,1]=4 1287 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210375_100000189650 [0,2,0,0,0,0|1,0,1]=4 1288 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210319 [0,2,0,0,0,0|1,0,1]=4 1289 B17R0.38 CCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210375_200000034859 [0,2,0,0,0,0|1,0,1]=4 1290 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210375_100009814007 [0,2,0,0,0,0|1,0,1]=4 1291 B17R0.38 CCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210375_200011214921 [0,2,0,0,0,0|1,0,1]=4 1292 B17R0.38 CCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210319 [0,2,0,0,0,0|1,0,1]=4 1293 B17R0.38 CCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210319 [0,2,0,0,0,0|1,0,1]=4 1294 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210375 [0,2,0,0,0,0|1,0,1]=4 1295 B17R0.38 CCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210375 [0,2,0,0,0,0|1,0,1]=4 1296 B17R0.38 CCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210320 [0,2,0,0,0,0|0,0,2]=4 1297 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 11a_100000212291_100000183196 [0,2,0,0,0,0|2,0,0]=4 1298 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 1626a_100000212291_100000183196 [0,2,0,0,0,0|2,0,0]=4 1299 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 240690a_100000212291_100000183196 [0,2,0,0,0,0|2,0,0]=4 1300 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)C 527a_100000212291_100000183196 [0,2,0,0,0,0|2,0,0]=4 1301 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)N 240690a_100000212291_100000181464 [0,2,0,0,0,0|2,0,0]=4 1302 B17R0.38 CCCCCCCCCNC(=O)CCNC(=O)N 527a_100000212291_100000181464 [0,2,0,0,0,0|2,0,0]=4 1303 B17R0.38 CCCCCCCCCNC(=O)CCSC(=O)C 1626a_100000212291_100000048949 [0,2,0,0,0,0|2,0,0]=4 1304 B17R0.38 CCCCCCCCCNC(=O)CCSC(=O)C 240690a_100000212291_100000048949 [0,2,0,0,0,0|2,0,0]=4 1305 B17R0.38 CCCCCCCCCNC(=O)COCC(=O)N 1626a_100000212291_100011219004 [0,2,0,0,0,0|2,0,0]=4 1306 B17R0.38 CCCCCCCCCNC(=O)COCC(=O)N 240690a_100000212291_100011219004 [0,2,0,0,0,0|2,0,0]=4 1307 B17R0.38 CCCCCCCCCNC(=O)COCC(=O)N 527a_100000212291_100011219004 [0,2,0,0,0,0|2,0,0]=4 1308 B17R0.38 CCCCCCCCCNC(=O)CSCC(=O)N 11a_100000212291_100000150265 [0,2,0,0,0,0|2,0,0]=4 1309 B17R0.38 CCCCCCCCCNC(=O)CSCC(=O)N 240690a_100000212291_100000150265 [0,2,0,0,0,0|2,0,0]=4 1310 B17R0.38 CCCCCCCCCNC(=O)CSCC(=O)N 527a_100000212291_100000150265 [0,2,0,0,0,0|2,0,0]=4 1311 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 2708a_100000212291_100000740010 [0,2,0,0,0,0|2,0,0]=4 1312 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000212291_100000740010 [0,2,0,0,0,0|2,0,0]=4 1313 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 273464a_100000740010_100000212291 [0,2,0,0,0,0|2,0,0]=4 1314 B17R0.38 CCCCCCCCCNC(=O)NCCC(=O)N 512a_100000212291_100000740010 [0,2,0,0,0,0|2,0,0]=4 1315 B17R0.38 CCCCCCCCNCC(=O)NCCC(=O)N 2230a_200138414118_100000210759 [0,2,0,0,0,0|2,0,0]=4 1316 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)C 1458a_100000759886_100011215641 [0,2,0,0,0,0|1,0,1]=4 1317 B17R0.38 CCCCCCCCOCC(=O)CCCC(=O)N 1458a_100000759886_100102525003 [0,2,0,0,0,0|1,0,1]=4 1318 B17R0.38 CCCCCCCCOCC(=O)NCCC(=O)N 11a_100000740010_100000759886 [0,2,0,0,0,0|2,0,0]=4 1319 B17R0.38 CCCCCCCCOCC(=O)NCCC(=O)N 240690a_100000740010_100000759886 [0,2,0,0,0,0|2,0,0]=4 1320 B17R0.38 CCCCCCCCOCC(=O)NCCC(=O)N 527a_100000740010_100000759886 [0,2,0,0,0,0|2,0,0]=4 1321 B17R0.38 CN(CCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813782 [0,2,0,0,0,0|1,0,1]=4 1322 B17R0.38 NC(=O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100102525003 [0,2,0,0,0,0|1,0,1]=4 1323 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCF 11a_100000740010_200009909015 [0,2,0,0,0,0|2,0,0]=4 1324 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCF 240690a_100000740010_200009909015 [0,2,0,0,0,0|2,0,0]=4 1325 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCF 527a_100000740010_200009909015 [0,2,0,0,0,0|2,0,0]=4 1326 B17R0.38 NC(=O)CCNC(=O)CCCCCCCCCO 240690a_100000740010_100000032657 [0,2,0,0,0,0|2,0,0]=4 1327 B17R0.43 C=C(C)CCOC/C=C/CCCCCCCCC 34a_100015232335_100000730704 [0,2,0,0,0,0|2,0,0]=4 1328 B17R0.43 C=C(C)CCOC/C=C/CCCCCCCCC 7a_100015232335_100000730704 [0,2,0,0,0,0|2,0,0]=4 1329 B17R0.43 C=C(C)COC/C=C/CCCCCCCCCC 34a_200025761149_100000748629 [0,2,0,0,0,0|2,0,0]=4 1330 B17R0.43 C=C(C)COC/C=C/CCCCCCCCCC 7a_200025761149_100000748629 [0,2,0,0,0,0|2,0,0]=4 1331 B17R0.43 C=C(F)COC/C=C/CCCCCCCCCC 34a_200025761149_100009893438 [0,2,0,0,0,0|2,0,0]=4 1332 B17R0.43 C=C(F)COC/C=C/CCCCCCCCCC 7a_200025761149_100000042424 [0,2,0,0,0,0|2,0,0]=4 1333 B17R0.43 CCCCCCCCC/C=C/COCC=C(C)C 34a_100015232335_100000761012 [0,2,0,0,0,0|2,0,0]=4 1334 B17R0.43 CCCCCCCCC/C=C/COCC=C(C)C 7a_100015232335_100000761012 [0,2,0,0,0,0|2,0,0]=4 1335 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,2,0,0,0,0|1,0,0]=3 1336 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 34a_100015232335_100000731001 [0,2,0,0,0,0|1,0,0]=3 1337 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 7a_100015232335_100000744528 [0,2,0,0,0,0|1,0,0]=3 1338 B17R0.43 CCCCCCCCC/C=C/COCCC(C)O 34a_100015232335_100012276601 [0,2,0,0,0,0|1,0,1]=4 1339 B17R0.43 CCCCCCCCC/C=C/COCCC(C)O 7a_100015232335_100012276601 [0,2,0,0,0,0|1,0,1]=4 1340 B17R0.43 CCCCCCCCC/C=C/COCOC(=O)C 34a_100015232335_100009813279 [0,2,0,0,0,0|1,0,0]=3 1341 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 34a_200025761149_100000187820 [0,2,0,0,0,0|1,0,0]=3 1342 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 7a_200025761149_100000187820 [0,2,0,0,0,0|1,0,0]=3 1343 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)[O-] 34a_200025761149_100020667443 [0,2,0,0,0,0|0,0,1]=3 1344 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 34a_200025761149_100011218427 [0,2,0,0,0,0|1,0,1]=4 1345 B17R0.43 CCCCCCCCCC/C=C/COCC(C)O 7a_200025761149_100011218427 [0,2,0,0,0,0|1,0,1]=4 1346 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 34a_200025761149_100009817552 [0,2,0,0,0,0|1,0,1]=4 1347 B17R0.43 CCCCCCCCCC/C=C/COC[C@@H](C)O 7a_200025761149_100009817552 [0,2,0,0,0,0|1,0,1]=4 1348 B17R0.43 CCCCCCCCCC/C=C/COC[N+](=O)[O-] 34a_200025761149_100000761209 [0,2,0,0,0,0|1,0,1]=4 1349 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,2,0,0,0,0|0,0,2]=4 1350 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,2,0,0,0,0|0,0,2]=4 1351 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,2,0,0,0,0|0,0,2]=4 1352 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [0,2,0,0,0,0|1,0,1]=4 1353 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,2,0,0,0,0|0,0,2]=4 1354 B17R0.43 O=C(O)COCCNCCCCCCCCCO 269956a_100000700818_100009813782 [0,2,0,0,0,0|1,0,1]=4 1355 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,2,0,0,0,0|0,0,2]=4 1356 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,2,0,0,0,0|0,0,2]=4 1357 B17R0.116 O=C(O)CC(O)CNCCCCCCCCCO 269956a_100011218706_100009813782 [0,2,0,0,0,0|1,0,1]=4 1358 B17R0.192 C=C(C)CCC(=O)C=CCCCCCCCCC 1458a_200015352897_100000730704 [0,2,0,0,0,0|2,0,0]=4 1359 B17R0.192 CCCCCCCCCC=CC(=O)CCC(C)O 1458a_200015352897_100012276601 [0,2,0,0,0,0|1,0,1]=4 1360 B17R0.192 CCCCCCCCCC=CC(=O)NCC(=O)N 11a_100000711301_200015352897 [0,2,0,0,0,0|1,0,1]=4 1361 B17R0.192 CCCCCCCCCC=CC(=O)NCC(=O)N 240690a_100000711301_200015352897 [0,2,0,0,0,0|1,0,1]=4 1362 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,2,0,0,0,0|1,0,1]=4 1363 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 240690a_100000684558_100011215257 [0,2,0,0,0,0|1,0,1]=4 1364 B17R0.192 CCCCCCCCCCNC(=O)CCC(=O)N 527a_100000684558_100011215257 [0,2,0,0,0,0|1,0,1]=4 1365 B17R0.192 CCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210670 [0,2,0,0,0,0|1,0,1]=4 1366 B17R0.192 CCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210759 [0,2,0,0,0,0|1,0,1]=4 1367 B17R0.192 NC(=O)CCC(=O)CCCCCCCCCCO 1458a_100011215257_100009813290 [0,2,0,0,0,0|1,0,1]=4 1368 B17R0.192 NC(=O)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100011215257 [0,2,0,0,0,0|2,0,0]=4 1369 B17R0.197 CCCCCCCCC/C=C/COCC(C)(C)O 34a_100015232335_100000764493 [0,2,0,0,0,0|1,0,1]=4 1370 B17R0.197 CCCCCCCCC/C=C/COCC(C)(C)O 7a_100015232335_100000764493 [0,2,0,0,0,0|1,0,1]=4 1371 B17R0.197 CCCCCCCCC/C=C/COCS(=O)(=O)[O-] 34a_100015232335_100009817235 [0,2,0,0,0,0|1,0,1]=4 1372 B17R0.8801 CCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210558_100000735457 [0,2,0,0,0,0|1,0,1]=4 1373 B17R0.8801 CCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210670 [0,2,0,0,0,0|1,0,1]=4 1374 B17R0.8801 CCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210558_100000042594 [0,2,0,0,0,0|1,0,1]=4 1375 B17R0.8801 CCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210558_100000038929 [0,2,0,0,0,0|1,0,1]=4 1376 B17R0.8801 CCCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210558_100000076697 [0,2,0,0,0,0|1,0,1]=4 1377 B17R0.8801 CCCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210670 [0,2,0,0,0,0|1,0,1]=4 1378 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210558 [0,2,0,0,0,0|1,0,1]=4 1379 B17R0.8801 CCCCCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210558 [0,2,0,0,0,0|1,0,1]=4 1380 B17R0.8801 CCCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210558 [0,2,0,0,0,0|2,0,0]=4 1381 B17R0.8801 CCCCCCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210558 [0,2,0,0,0,0|2,0,0]=4 1382 B17R0.8801 CCCCCCCCCC(=O)NCCNC(=O)N 240690a_100020590234_100000210558 [0,2,0,0,0,0|2,0,0]=4 1383 B17R0.8801 CCCCCCCCCC(=O)NCCNC(=O)N 527a_100020590234_100000210558 [0,2,0,0,0,0|2,0,0]=4 1384 B17R0.8801 CCCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210558 [0,2,0,0,0,0|2,0,0]=4 1385 B17R0.8801 CCCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210558 [0,2,0,0,0,0|2,0,0]=4 1386 B17R0.8801 CCCCCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210558 [0,2,0,0,0,0|2,0,0]=4 1387 B17R0.8801 CCCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210558 [0,2,0,0,0,0|2,0,0]=4 1388 B17R0.8801 CCCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210558 [0,2,0,0,0,0|2,0,0]=4 1389 B17R0.8801 CCCCCCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210558 [0,2,0,0,0,0|2,0,0]=4 1390 B17R0.8801 CCCCCCCCCC(=O)OCNCC(=O)N 2230a_100000711301_200010990708 [0,2,0,0,0,0|2,0,0]=4 1391 B17R0.8801 CCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_200010990708 [0,2,0,0,0,0|1,0,0]=3 1392 B17R0.8801 CCCCCCCCCC(=O)OCOCC(=O)C 34a_100000211253_200010990708 [0,2,0,0,0,0|2,0,0]=4 1393 B17R0.8801 CCCCCCCCCC(=O)OCSCC(=O)N 62a_100000747473_200010990708 [0,2,0,0,0,0|2,0,0]=4 1394 B17R0.8801 CCCCCCCCCC(=O)OCSCC(=O)[O-] 62a_100020667443_200010990708 [0,2,0,0,0,0|1,0,1]=4 1395 B17R0.178 CCCCCC(O)CCCC(=O)NCCC(=O)N 240690a_100000740010_100020618878 [0,2,0,0,0,0|2,0,0]=4 1396 B17R0.178 CCCCCC(O)CCCC(=O)NCCC(=O)N 527a_100000740010_100020618878 [0,2,0,0,0,0|2,0,0]=4 1397 B17R0.3117 CCCCCCCCC(O)C(=O)CCCC(=O)C 1458a_200011995895_100011215641 [0,2,0,0,0,0|1,0,1]=4 1398 B17R0.3117 CCCCCCCCC(O)C(=O)CCCC(=O)N 1458a_200011995895_100102525003 [0,2,0,0,0,0|1,0,1]=4 1399 B17R0.3117 CCCCCCCCC(O)C(=O)NCCC(=O)N 240690a_100000740010_200011995895 [0,2,0,0,0,0|2,0,0]=4 1400 B17R0.5683 CCCCCCCCCC(=O)N(C)CCC(=O)N 11a_100000730477_100000210558 [0,2,0,0,0,0|2,0,0]=4 1401 B17R0.5683 CCCCCCCCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000210558 [0,2,0,0,0,0|2,0,0]=4 1402 B17R0.5683 CCCCCCCCCC(=O)N(C)CCC(=O)N 527a_100000730477_100000210558 [0,2,0,0,0,0|2,0,0]=4 1403 B17R0.5683 CCCCCCCCCN(C)C(=O)CCC(=O)N 240690a_100000232482_100011215257 [0,2,0,0,0,0|2,0,0]=4 1404 B17R0.5683 CCCCCCCCCN(C)C(=O)CCC(=O)N 527a_100000232482_100011215257 [0,2,0,0,0,0|2,0,0]=4 1405 B17R0.189 CCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210320 [0,2,0,0,0,0|1,0,1]=4 1406 B17R0.189 CCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210320 [0,2,0,0,0,0|1,0,1]=4 1407 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210320 [0,2,0,0,0,0|1,0,1]=4 1408 B15R1.35 O=CCCCNCCCC1CCCCC1 2230a_100011211642_200011292268 [1,0,0,1,0,0|1,0,1]=4 1409 B15R1.35 O=CCCCOCCCC1CCCCC1 7a_100000198086_200011292268 [1,0,0,1,0,0|1,0,1]=4 1410 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_100011713725_200011292268 [1,0,0,1,0,0|1,0,1]=4 1411 B15R1.35 O=CCCCSCCCC1CCCCC1 62a_200011292268_100011713725 [1,0,0,1,0,0|1,0,1]=4 1412 B15R1.242 CCCC1CCCCC1OCCCC=O 7a_100011217265_200011292268 [1,0,0,1,0,0|1,0,1]=4 1413 B15R1.1951 O=CCCCOCC1CCCCCCC1 7a_100011216312_200011292268 [1,0,0,1,0,0|1,0,1]=4 1414 B15R1.3515 CCCCCCCCCc1ccsc1O 271570a_203496583355_200010289302 [1,0,0,1,0,0|1,0,1]=4 1415 B15R1.3515 CCCCCCCOCC1=CCCC1=O 34a_100000087531_100000210614 [1,0,0,1,0,0|1,0,0]=3 1416 B15R1.3515 CCCCOCCOCC1=CCCC1=O 34a_100000087531_100000743108 [1,0,0,1,0,0|2,0,0]=4 1417 B15R1.3515 O=C1CCC=C1COCCCCCCF 34a_100000087531_100015922095 [1,0,0,1,0,0|2,0,0]=4 1418 B15R1.3515 O=C1CCC=C1COCCCCCCO 34a_100000087531_100000766143 [1,0,0,1,0,0|2,0,0]=4 1419 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [1,0,0,1,0,0|1,0,1]=4 1420 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [1,0,0,1,0,0|1,0,1]=4 1421 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [1,0,0,1,0,0|1,0,1]=4 1422 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [1,0,0,1,0,0|1,0,1]=4 1423 B15R1.6328 O=CCCCNCCC1CCCCCC1 2230a_100011532351_200011292268 [1,0,0,1,0,0|1,0,1]=4 1424 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [1,0,0,1,0,0|1,0,1]=4 1425 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [1,0,0,1,0,0|2,0,0]=4 1426 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [1,0,0,1,0,0|2,0,0]=4 1427 B15R1.241 CCCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000718602 [1,0,0,1,0,0|2,0,0]=4 1428 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [1,0,0,1,0,0|1,0,1]=4 1429 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [1,0,0,1,0,0|2,0,0]=4 1430 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [1,0,0,1,0,0|2,0,0]=4 1431 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [1,0,0,1,0,0|2,0,0]=4 1432 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [1,0,0,1,0,0|2,0,0]=4 1433 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [1,0,0,1,0,0|2,0,0]=4 1434 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [1,0,0,1,0,0|2,0,0]=4 1435 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [1,0,0,1,0,0|2,0,0]=4 1436 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [1,0,0,1,0,0|2,0,0]=4 1437 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [1,0,0,1,0,0|2,0,0]=4 1438 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [1,0,0,1,0,0|2,0,0]=4 1439 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [1,0,0,1,0,0|2,0,0]=4 1440 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [1,0,0,1,0,0|2,0,0]=4 1441 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [1,0,0,1,0,0|2,0,0]=4 1442 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [1,0,0,1,0,0|2,0,0]=4 1443 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [1,0,0,1,0,0|2,0,0]=4 1444 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [1,0,0,1,0,0|2,0,0]=4 1445 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [1,0,0,1,0,0|2,0,0]=4 1446 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [1,0,0,1,0,0|2,0,0]=4 1447 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [1,0,0,1,0,0|1,0,1]=4 1448 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [1,0,0,1,0,0|2,0,0]=4 1449 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [1,0,0,1,0,0|2,0,0]=4 1450 B15R1.3525 CCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210614 [1,0,0,1,0,0|1,0,0]=3 1451 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [1,0,0,1,0,0|1,0,1]=4 1452 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [1,0,0,1,0,0|2,0,0]=4 1453 B15R1.3525 CCCCOCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000743108 [1,0,0,1,0,0|2,0,0]=4 1454 B15R1.3525 O=C(O)[C@@H]1C=CCN1CCCCCCF 269956a_100000057196_100015922095 [1,0,0,1,0,0|2,0,0]=4 1455 B15R1.3525 O=C(O)[C@@H]1C=CCN1CCCCCCO 269956a_100000057196_100000766143 [1,0,0,1,0,0|2,0,0]=4 1456 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [1,0,0,1,0,0|1,0,1]=4 1457 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [1,0,0,1,0,0|2,0,0]=4 1458 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [1,0,0,1,0,0|2,0,0]=4 1459 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [1,0,0,1,0,0|2,0,0]=4 1460 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [1,0,0,1,0,0|2,0,0]=4 1461 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [1,0,0,1,0,0|2,0,0]=4 1462 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [1,0,0,1,0,0|1,0,1]=4 1463 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [1,0,0,1,0,0|1,0,1]=4 1464 B17R1.1311 O=C(O)COCCNCCCC1CCCCC1 269956a_100000700818_100011713725 [0,1,0,1,0,0|1,0,1]=4 1465 B17R1.347 CCCC1CCCCC1OCCCC(=O)OC 34a_100011217265_100000742333 [0,1,0,1,0,0|1,0,1]=4 1466 B17R1.347 CCCC1CCCCC1OCCCC(=O)OC 7a_100011217265_100011218270 [0,1,0,1,0,0|1,0,1]=4 1467 B17R1.1158 COC(=O)CCCNCCCC1CCCCC1 2230a_100011211642_100011218270 [0,1,0,1,0,0|1,0,1]=4 1468 B17R1.1158 COC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000742333 [0,1,0,1,0,0|1,0,1]=4 1469 B17R1.1158 COC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000742333 [0,1,0,1,0,0|1,0,1]=4 1470 B17R1.1158 COC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011218270 [0,1,0,1,0,0|1,0,1]=4 1471 B17R1.1158 COC(=O)CCCSCCCC1CCCCC1 62a_100011218270_100011713725 [0,1,0,1,0,0|1,0,1]=4 1472 B17R1.1158 COC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011218270 [0,1,0,1,0,0|1,0,1]=4 1473 B17R1.1158 COC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000742370 [0,1,0,1,0,0|1,0,1]=4 1474 B17R1.1158 COC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000204255 [0,1,0,1,0,0|1,0,1]=4 1475 B17R1.1241 CCCCCCCCCCNC1COC(=O)O1 34a_100000684558_100000032252 [0,1,0,1,0,0|1,0,1]=4 1476 B17R1.1241 CCCCCCCCCCOC1COC(=O)O1 34a_100000210711_100000032252 [0,1,0,1,0,0|1,0,1]=4 1477 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 2230a_100000212291_100000181169 [0,1,0,1,0,0|1,0,1]=4 1478 B17R1.1241 CCCCCCCCCNCC1CNC(=O)O1 34a_100000212291_100000181169 [0,1,0,1,0,0|1,0,1]=4 1479 B17R1.1241 CCCCCCCCCNCC1COC(=O)O1 34a_100000212291_100000073702 [0,1,0,1,0,0|1,0,1]=4 1480 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100000210712_100000181169 [0,1,0,1,0,0|1,0,1]=4 1481 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011214924 [0,1,0,1,0,0|1,0,1]=4 1482 B17R1.1241 CCCCCCCCCOCC1CNC(=O)O1 7a_100000210712_100000181169 [0,1,0,1,0,0|1,0,1]=4 1483 B17R1.1241 CCCCCCCCCOCC1COC(=O)O1 34a_100000210712_100000073702 [0,1,0,1,0,0|1,0,1]=4 1484 B17R1.1241 CCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210670 [0,1,0,1,0,0|1,0,1]=4 1485 B17R1.1241 CCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210670 [0,1,0,1,0,0|1,0,1]=4 1486 B17R1.24253 COC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000742333 [0,1,0,1,0,0|1,0,1]=4 1487 B17R1.24253 COC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011218270 [0,1,0,1,0,0|1,0,1]=4 1488 B17R1.24253 COC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000204255 [0,1,0,1,0,0|1,0,1]=4 1489 B17R1.24253 COC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000742370 [0,1,0,1,0,0|1,0,1]=4 1490 B17R1.25273 CCCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011214924 [0,1,0,1,0,0|1,0,1]=4 1491 B17R1.25273 CCCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210670 [0,1,0,1,0,0|1,0,1]=4 1492 B17R1.26506 COC(=O)CCCNCCC1CCCCCC1 2230a_100011532351_100011218270 [0,1,0,1,0,0|1,0,1]=4 1493 B17R1.26506 COC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000742333 [0,1,0,1,0,0|1,0,1]=4 1494 B17R1.29214 CCCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210320 [0,1,0,1,0,0|1,0,1]=4 1495 B17R1.29207 CCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210670 [0,1,0,1,0,0|1,0,1]=4 1496 B17R1.321 CCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210757 [0,1,0,1,0,0|0,0,2]=4 1497 B17R1.5251 CCCCCCCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210670 [0,1,0,1,0,0|0,0,2]=4 1498 B17R1.5251 CCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210670 [0,1,0,1,0,0|0,0,2]=4 1499 B17R1.5251 CCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210670 [0,1,0,1,0,0|1,0,1]=4 1500 B17R1.5251 CCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210670 [0,1,0,1,0,0|1,0,1]=4 1501 B17R1.5777 CCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210614 [0,1,0,1,0,0|0,0,2]=4 1502 B17R1.7901 CCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210759 [0,1,0,1,0,0|0,0,2]=4 1503 B17R1.7901 CCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210759 [0,1,0,1,0,0|1,0,1]=4 1504 B17R1.7901 CCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210759 [0,1,0,1,0,0|1,0,1]=4 1505 B17R1.7901 CCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210759 [0,1,0,1,0,0|1,0,1]=4 1506 B17R1.7901 CCCCCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000210614 [0,1,0,1,0,0|1,0,0]=3 1507 B17R1.7901 CCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210614 [0,1,0,1,0,0|0,0,2]=4 1508 B17R1.7901 CCCCOCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100000743108 [0,1,0,1,0,0|2,0,0]=4 1509 B17R1.7901 NC(=O)[C@@H]1CC=CC[C@H]1NCCCCCCF 34a_100032748912_100015922095 [0,1,0,1,0,0|2,0,0]=4 1510 B17R1.7901 NC(=O)[C@@H]1CC=CC[C@H]1NCCCCCCO 34a_100032748912_100000766143 [0,1,0,1,0,0|2,0,0]=4 1511 B17R1.17889 CCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210326 [0,1,0,1,0,0|0,0,2]=4 1512 B17R1.29093 CCCCCCCCC/C=C/COCC1CO1 34a_100015232335_102125554688 [0,1,0,1,0,0|1,0,1]=4 1513 B17R1.29093 CCCCCCCCC/C=C/COCC1CO1 7a_100015232335_102125554688 [0,1,0,1,0,0|1,0,1]=4 1514 B17R1.29093 CCCCCCCCC/C=C/COC[C@@H]1CO1 7a_100015232335_100000745022 [0,1,0,1,0,0|1,0,1]=4 1515 B17R1.29200 CCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210320 [0,1,0,1,0,0|0,0,2]=4 1516 B17R1.29200 O=C(O)C1CCN1CCCCCCCCCO 269956a_100000021838_100009813782 [0,1,0,1,0,0|1,0,1]=4 1517 B17R1.753 CCCCCCCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210670 [0,1,0,1,0,0|1,0,1]=4 1518 B17R1.753 CCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210670 [0,1,0,1,0,0|0,0,1]=3 1519 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 11a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 1520 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 1521 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 1522 B17R1.753 CCCCCCCCNC(=O)[C@@H]1CCC(=O)O1 527a_100000229939_100009814974 [0,1,0,1,0,0|1,0,1]=4 1523 B17R1.753 O=C1CC[C@H](O1)C(=O)CCCCCCCCO 1458a_100009814974_100000033203 [0,1,0,1,0,0|1,0,1]=4 1524 B17R1.16611 CC(=O)CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100011215641 [0,1,0,1,0,0|1,0,1]=4 1525 B17R1.16611 CN(CCCC(=O)O)CCCC1CCCCC1 269956a_100000719178_100011713725 [0,1,0,1,0,0|1,0,1]=4 1526 B17R1.16611 NC(=O)CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100102525003 [0,1,0,1,0,0|1,0,1]=4 1527 B17R1.16611 NC(=O)CCNC(=O)CCCC1CCCCC1 11a_100000740010_100000211478 [0,1,0,1,0,0|2,0,0]=4 1528 B17R1.16611 NC(=O)CCNC(=O)CCCC1CCCCC1 240690a_100000740010_100000211478 [0,1,0,1,0,0|2,0,0]=4 1529 B17R1.16611 NC(=O)CCNC(=O)CCCC1CCCCC1 527a_100000740010_100000211478 [0,1,0,1,0,0|2,0,0]=4 1530 B17R1.18504 CCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210558_100009874392 [0,1,0,1,0,0|1,0,1]=4 1531 B17R1.25278 CCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210670 [0,1,0,1,0,0|1,0,1]=4 1532 B17R1.8307 O=C(O)CC(O)CNCCCC1CCCCC1 269956a_100011218706_100011713725 [0,1,0,1,0,0|1,0,1]=4 1533 B17R1.8968 CCCCCC(C)N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200011218191 [0,1,0,1,0,0|2,0,0]=4 1534 B17R1.4992 NC(=O)CCC(=O)NCCCC1CCCCC1 240690a_100011211642_100011215257 [0,1,0,1,0,0|2,0,0]=4 1535 B17R1.4992 NC(=O)CCC(=O)NCCCC1CCCCC1 527a_100011211642_100011215257 [0,1,0,1,0,0|2,0,0]=4 1536 B17R1.26148 CCCCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210319 [0,1,0,1,0,0|1,0,1]=4 1537 B17R1.26148 CCCCCCCCCNC(=O)[C@@H]1CC(=O)N1 527a_100000212291_100016090685 [0,1,0,1,0,0|2,0,0]=4 1538 B17R1.103219 NC(=O)CCC(=O)NCCC1CCCCCC1 240690a_100011532351_100011215257 [0,1,0,1,0,0|2,0,0]=4 1539 B17R1.103219 NC(=O)CCC(=O)NCCC1CCCCCC1 527a_100011532351_100011215257 [0,1,0,1,0,0|2,0,0]=4 1540 B17R1.16398 CC(C)CCCCN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_100011216152 [0,1,0,1,0,0|2,0,0]=4 1541 B17R2.3894 CC1CCCC1N[C@@H]2CC=CC[C@H]2C(=O)N 269862a_100032748912_100000752053 [0,0,0,2,0,0|2,0,0]=4 1542 B17R2.5618 NC(=O)[C@@H]1CC=CC[C@H]1NC2CCCCC2 34a_100032748912_100000210327 [0,0,0,2,0,0|2,0,0]=4 1543 B17R2.5663 O=C(O)C1CCN1CCCC2CCCCC2 269956a_100000021838_100011713725 [0,0,0,2,0,0|1,0,1]=4 1544 B17R2.5678 NC(=O)[C@@H]1CC=CC[C@H]1NCC2CCCC2 269862a_100032748912_100000746403 [0,0,0,2,0,0|2,0,0]=4 1545 B17R2.5678 NC(=O)[C@@H]1CC=CC[C@H]1NCC2CCCC2 34a_100032748912_100000740388 [0,0,0,2,0,0|2,0,0]=4