0 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,0,0,0,0,0|1,0,3]=4 15 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,0,0,0,0,0|1,0,3]=4 31 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,0,0,0,0|1,0,2]=3 32 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,0,0,0,0,0|1,0,2]=3 34 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,0,0,0,0,0|1,0,2]=3 38 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,0,0,0,0,0|1,0,0]=1 39 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,0,0,0,0,0|1,0,0]=1 40 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,0,0,0,0,0|1,0,2]=3 41 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,0,0,0,0,0|2,0,1]=3 44 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,0,0,0,0,0|2,0,1]=3 45 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,0,0,0,0,0|2,0,1]=3 47 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,0,0,0,0,0|1,0,1]=2 50 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,0,0,0,0,0|3,0,0]=3 55 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,0,0,0,0,0|2,0,1]=3 57 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,0,0,0,0,0|1,0,2]=3 59 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,0,0,0,0,0|1,0,2]=3 67 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,0,0,0,0,0|1,0,2]=3 68 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,0,0,0,0,0|2,0,2]=4 78 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,0,0,0,0,0|2,0,2]=4 79 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,0,0,0,0,0|3,0,1]=4 81 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,0,0,0,0,0|2,0,2]=4 85 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.2 CCCNN=CC=C(C)C 4a_100000740057_100011215525 [0,0,0,0,0,0|4,0,0]=4 104 B9R0.2 CCCOC/C=C/B(O)O 34a_100000210258_100016262062 [0,0,0,0,0,0|2,0,1]=3 105 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,0,0,0,0,0|3,0,1]=4 106 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,0,0,0,0,0|2,0,2]=4 109 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,0,0,0,0,0|2,0,2]=4 110 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,0,0,0,0,0|3,0,1]=4 114 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,0,0,0,0,0|3,0,1]=4 115 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.2 CCCSC/C=C/B(O)O 62a_100000210303_100016262062 [0,0,0,0,0,0|2,0,1]=3 120 B9R0.2 CCCSC/C=C/B(O)O 62a_100016262062_100000210303 [0,0,0,0,0,0|2,0,1]=3 121 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|3,0,1]=4 137 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|3,0,1]=4 138 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,0,0,0,0,0|3,0,1]=4 139 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,0,0,0,0,0|3,0,1]=4 140 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,0,0,0,0,0|2,0,2]=4 141 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,0,0,0,0,0|3,0,1]=4 142 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,0,0,0,0,0|2,0,2]=4 146 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,0,0,0,0,0|2,0,2]=4 147 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,0,0,0,0,0|3,0,1]=4 149 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,0,0,0,0,0|3,0,1]=4 158 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,0,0,0,0,0|2,0,1]=3 159 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,0,0,0,0,0|4,0,0]=4 161 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,0,0,0,0,0|3,0,1]=4 163 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,0,0,0,0,0|2,0,2]=4 169 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,0,0,0,0,0|3,0,1]=4 171 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,0,0,0,0,0|2,0,2]=4 172 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,0,0,0,0,0|2,0,1]=3 180 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,0,0,0,0,0|3,0,1]=4 187 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,0,0,0,0,0|3,0,1]=4 188 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [0,0,0,0,0,0|2,0,1]=3 191 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [0,0,0,0,0,0|2,0,1]=3 192 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [0,0,0,0,0,0|2,0,1]=3 193 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,0,0,0,0,0|2,0,2]=4 194 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,0,0,0,0,0|2,0,2]=4 195 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,0,0,0,0,0|2,0,2]=4 196 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,0,0,0,0,0|3,0,1]=4 198 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|3,0,1]=4 199 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|3,0,1]=4 200 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,0,0,0,0,0|3,0,1]=4 201 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,0,0,0,0,0|3,0,1]=4 202 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,0,0,0,0,0|3,0,1]=4 203 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,0,0,0,0,0|3,0,1]=4 204 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [0,0,0,0,0,0|2,0,1]=3 206 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,0,0,0,0,0|2,0,2]=4 208 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,0,0,0,0,0|2,0,2]=4 209 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,0,0,0,0,0|2,0,2]=4 210 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,0,0,0,0,0|2,0,2]=4 211 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,0,0,0,0,0|1,0,3]=4 212 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|3,0,1]=4 213 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|3,0,1]=4 214 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|3,0,1]=4 215 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,0,0,0,0,0|3,0,1]=4 216 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,0,0,0,0,0|3,0,1]=4 217 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,0,0,0,0,0|3,0,1]=4 218 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,0,0,0,0,0|2,0,1]=3 219 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,0,0,0,0,0|3,0,1]=4 223 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,0,0,0,0,0|2,0,2]=4 224 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,0,0,0,0,0|3,0,1]=4 225 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,0,0,0,0,0|3,0,1]=4 226 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,0,0,0,0,0|2,0,2]=4 227 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,0,0,0,0,0|2,0,2]=4 228 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,0,0,0,0,0|3,0,1]=4 229 B9R0.2 COCSC/C=C/B(O)O 62a_100000766300_100016262062 [0,0,0,0,0,0|3,0,1]=4 230 B9R0.2 COCSC/C=C/B(O)O 62a_100016262062_100000766300 [0,0,0,0,0,0|3,0,1]=4 231 B9R0.2 CSCCC/C=C/B(O)O 62a_200000210301_200016261450 [0,0,0,0,0,0|2,0,1]=3 232 B9R0.2 CSCCC/C=C/B(O)O 62a_200016261450_200000210301 [0,0,0,0,0,0|2,0,1]=3 233 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,0,0,0,0,0|2,0,2]=4 234 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,0,0,0,0,0|2,0,2]=4 235 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|3,0,1]=4 236 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|3,0,1]=4 237 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,0,0,0,0,0|3,0,1]=4 238 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,0,0,0,0,0|3,0,1]=4 240 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,0,0,0,0,0|3,0,1]=4 242 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,0,0,0,0,0|2,0,2]=4 243 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.2 CSCSC/C=C/B(O)O 62a_100011218213_100016262062 [0,0,0,0,0,0|3,0,1]=4 245 B9R0.2 CSCSC/C=C/B(O)O 62a_100016262062_100011218213 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,0,0,0,0,0|2,0,2]=4 247 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,0,0,0,0,0|3,0,1]=4 252 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,0,0,0,0,0|3,0,1]=4 253 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,0,0,0,0,0|3,0,1]=4 254 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,0,0,0,0,0|3,0,1]=4 255 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,0,0,0,0,0|3,0,1]=4 256 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,0,0,0,0,0|3,0,1]=4 257 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,0,0,0,0,0|3,0,1]=4 258 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,0,0,0,0,0|3,0,1]=4 260 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,0,0,0,0,0|2,0,2]=4 263 B9R0.2 NCCOC/C=C/B(O)O 34a_100000210304_100016262062 [0,0,0,0,0,0|3,0,1]=4 264 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,0,0,0,0,0|2,0,1]=3 265 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,0,0,0,0,0|2,0,1]=3 266 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,0,0,0,0,0|3,0,1]=4 267 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,0,0,0,0,0|3,0,1]=4 268 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,0,0,0,0,0|2,0,2]=4 270 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,0,0,0,0,0|2,0,2]=4 271 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,0,0,0,0,0|2,0,2]=4 272 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,0,0,0,0,0|2,0,2]=4 273 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,0,0,0,0,0|2,0,2]=4 274 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,0,0,0,0,0|2,0,2]=4 275 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,0,0,0,0,0|2,0,2]=4 276 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,0,0,0,0,0|2,0,2]=4 277 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,0,0,0,0,0|2,0,2]=4 278 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,0,0,0,0,0|2,0,2]=4 279 B9R0.2 OB(O)/C=C/CNCCF 34a_100000724931_100016262062 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.2 OB(O)/C=C/COCCBr 34a_100000211926_100016262062 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.2 OB(O)/C=C/CSCCF 62a_100011217306_100016262062 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.2 OB(O)/C=C/CSCCF 62a_100016262062_100011217306 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.2 OCCNC/C=C/B(O)O 2230a_100016997473_100016262062 [0,0,0,0,0,0|3,0,1]=4 284 B9R0.2 OCCNC/C=C/B(O)O 34a_100016990907_100016262062 [0,0,0,0,0,0|3,0,1]=4 285 B9R0.2 OCCSC/C=C/B(O)O 62a_100000211926_100016262062 [0,0,0,0,0,0|3,0,1]=4 286 B9R0.2 OCCSC/C=C/B(O)O 62a_100016262062_100000211926 [0,0,0,0,0,0|3,0,1]=4 287 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,0,0,0,0,0|2,0,2]=4 288 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,0,0,0,0,0|2,0,2]=4 289 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,0,0,0,0,0|2,0,2]=4 290 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,0,0,0,0,0|1,0,3]=4 291 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200016261450_200025704644 [0,0,0,0,0,0|2,0,1]=3 292 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200025704644_200016261450 [0,0,0,0,0,0|2,0,1]=3 293 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,0,0,0,0,0|2,0,2]=4 295 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|2,0,1]=4 296 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,1]=4 298 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,1]=4 300 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 301 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,1]=4 302 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,1]=4 303 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,1]=4 304 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,1]=4 307 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,1]=4 310 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|2,0,1]=4 312 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|2,0,1]=4 313 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|2,0,1]=4 314 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|2,0,1]=4 315 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|2,0,1]=4 316 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|2,0,1]=4 317 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|2,0,1]=4 319 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|2,0,1]=4 320 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|2,0,1]=4 321 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|2,0,1]=4 322 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|2,0,1]=4 323 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|2,0,1]=4 324 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|2,0,1]=4 325 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|2,0,1]=4 326 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,1]=4 327 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,1]=4 328 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 329 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 330 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|3,0,0]=4 333 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,1]=3 334 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,2]=4 335 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,2]=4 336 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,2]=4 337 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,1]=3 338 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,1]=3 339 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,2]=4 340 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,2]=4 341 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,1]=3 342 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,1]=3 343 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,2]=4 344 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,2]=4 345 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,2]=4 346 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,2]=4 347 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,2]=4 348 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|2,0,1]=4 349 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|2,0,1]=4 350 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,1]=4 351 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|2,0,1]=4 353 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|2,0,1]=4 354 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,2]=4 355 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,2]=4 356 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,0,0,0,0|2,0,1]=4 357 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|2,0,1]=4 359 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,0,0,0,0|2,0,1]=4 360 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 362 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,2]=4 363 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,1]=4 366 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,0,0,0,0|2,0,1]=4 367 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,0,0,0,0|2,0,1]=4 368 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,2]=4 369 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,2]=4 370 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,0,0,0,0|2,0,1]=4 371 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,1]=4 372 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,1]=4 373 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 375 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,0,0,0,0|2,0,1]=4 384 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 386 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,2]=4 387 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,2]=4 388 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|2,0,1]=4 389 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|2,0,1]=4 390 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|2,0,1]=4 393 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|3,0,0]=4 394 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|3,0,0]=4 395 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|3,0,0]=4 396 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|3,0,0]=4 397 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|3,0,0]=4 398 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|3,0,0]=4 399 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|3,0,0]=4 400 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|3,0,0]=4 401 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|1,0,2]=4 402 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|1,0,2]=4 403 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|1,0,0]=2 404 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|1,0,0]=2 405 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|1,0,1]=3 406 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|1,0,1]=3 407 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|1,0,1]=3 408 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 409 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 410 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|2,0,0]=3 411 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|2,0,0]=3 412 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|2,0,1]=4 413 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|2,0,1]=4 414 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|2,0,1]=4 415 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|1,0,1]=3 416 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|3,0,0]=4 417 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|2,0,1]=4 418 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|2,0,1]=4 419 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|2,0,1]=4 420 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|2,0,1]=4 421 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|2,0,1]=4 422 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|2,0,1]=4 423 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|1,0,2]=4 424 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|2,0,1]=4 425 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|2,0,1]=4 426 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|2,0,1]=4 427 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|1,0,2]=4 429 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|1,0,2]=4 430 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,0,0,0,0,0|3,0,0]=4 431 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|2,0,1]=4 432 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,0,0,0,0|3,0,0]=4 433 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,0,0,0,0|3,0,0]=4 434 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|2,0,1]=4 435 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|2,0,1]=4 436 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|2,0,1]=4 437 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,1]=4 438 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 439 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,1]=4 440 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|3,0,0]=4 441 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,0,0,0,0,0|3,0,0]=4 442 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,0,0,0,0,0|3,0,0]=4 443 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|2,0,1]=4 444 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|2,0,1]=4 445 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,1]=4 446 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,1]=4 447 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|3,0,0]=4 448 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|3,0,0]=4 449 B8R0.7 CCNC/C=C/B(O)O 2230a_100015525214_100016262062 [1,0,0,0,0,0|2,0,1]=4 450 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,0,0,0,0,0|3,0,0]=4 451 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [1,0,0,0,0,0|3,0,0]=4 452 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,1]=4 453 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|3,0,0]=4 454 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|3,0,0]=4 455 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,0,0,0,0,0|3,0,0]=4 456 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,0,0,0,0,0|3,0,0]=4 457 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [1,0,0,0,0,0|2,0,1]=4 458 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|3,0,0]=4 459 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [1,0,0,0,0,0|3,0,0]=4 460 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|2,0,1]=4 461 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|2,0,1]=4 462 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|2,0,1]=4 463 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|2,0,1]=4 464 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|2,0,1]=4 465 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|3,0,0]=4 466 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|3,0,0]=4 467 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|3,0,0]=4 468 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|3,0,0]=4 469 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|3,0,0]=4 470 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,0,0,0,0|3,0,0]=4 471 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|3,0,0]=4 472 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|3,0,0]=4 473 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|3,0,0]=4 474 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|2,0,1]=4 475 B8R0.7 CCSC/C=C/B(O)O 62a_100000210202_100016262062 [1,0,0,0,0,0|2,0,1]=4 476 B8R0.7 CCSC/C=C/B(O)O 62a_100016262062_100000210202 [1,0,0,0,0,0|2,0,1]=4 477 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,0,0,0,0,0|3,0,0]=4 478 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,0,0,0,0,0|3,0,0]=4 479 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [1,0,0,0,0,0|3,0,0]=4 480 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [1,0,0,0,0,0|3,0,0]=4 481 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|2,0,1]=4 482 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|2,0,1]=4 483 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|2,0,1]=4 484 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|2,0,1]=4 485 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 486 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 487 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|3,0,0]=4 488 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|3,0,0]=4 489 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|3,0,0]=4 490 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|3,0,0]=4 491 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,0,0,0,0,0|3,0,0]=4 493 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|3,0,0]=4 494 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|3,0,0]=4 495 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,0,0,0,0|3,0,0]=4 496 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,0,0,0,0|3,0,0]=4 497 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|3,0,0]=4 501 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|3,0,0]=4 502 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|3,0,0]=4 503 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|3,0,0]=4 504 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|2,0,1]=4 507 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|2,0,1]=4 508 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|2,0,1]=4 509 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|2,0,1]=4 510 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|2,0,1]=4 511 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 512 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|3,0,0]=4 513 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|3,0,0]=4 514 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|3,0,0]=4 515 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|3,0,0]=4 516 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|3,0,0]=4 517 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|2,0,1]=4 518 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|2,0,1]=4 519 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|2,0,1]=4 520 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 521 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|3,0,0]=4 523 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|3,0,0]=4 524 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|3,0,0]=4 525 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|3,0,0]=4 526 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|3,0,0]=4 527 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|3,0,0]=4 528 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|2,0,1]=4 529 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|2,0,1]=4 530 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|2,0,1]=4 531 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|2,0,1]=4 532 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,1]=4 533 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|2,0,1]=4 536 B10R0.3 CCCC(=O)C/C=C/B(O)O 1458a_100000211992_100016262062 [0,1,0,0,0,0|1,0,2]=4 537 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,0|1,0,2]=4 538 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,1,0,0,0,0|2,0,1]=4 539 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,1,0,0,0,0|1,0,1]=3 540 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,0,0,0,0|2,0,1]=4 541 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,1,0,0,0,0|2,0,1]=4 542 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,1,0,0,0,0|2,0,1]=4 543 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,1,0,0,0,0|1,0,2]=4 544 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,1,0,0,0,0|2,0,1]=4 545 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,1,0,0,0,0|2,0,1]=4 546 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,1,0,0,0,0|1,0,2]=4 547 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,1,0,0,0,0|1,0,2]=4 548 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,1,0,0,0,0|2,0,1]=4 549 B10R0.3 CCCN(C)C/C=C/B(O)O 2230a_100000747261_100016262062 [0,1,0,0,0,0|2,0,1]=4 550 B10R0.3 CCCN(C)C/C=C/B(O)O 269982a_100000747261_100016262062 [0,1,0,0,0,0|2,0,1]=4 551 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,0,0,0,0|1,0,2]=4 552 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,1,0,0,0,0|2,0,1]=4 553 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,1,0,0,0,0|1,0,2]=4 554 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,1,0,0,0,0|2,0,1]=4 555 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,1,0,0,0,0|1,0,2]=4 556 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [0,1,0,0,0,0|3,0,0]=4 557 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,1,0,0,0,0|1,0,2]=4 558 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|1,0,2]=4 559 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|1,0,2]=4 560 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,1,0,0,0,0|2,0,1]=4 561 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|2,0,1]=4 562 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,1,0,0,0,0|2,0,1]=4 563 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,1,0,0,0,0|2,0,1]=4 564 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,1,0,0,0,0|3,0,0]=4 567 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,1,0,0,0,0|2,0,1]=4 568 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,1,0,0,0,0|2,0,1]=4 569 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,0,0,0,0|1,0,2]=4 570 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|1,0,0]=2 571 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|1,0,0]=2 572 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,1,0,0,0,0|1,0,2]=4 573 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,1,0,0,0,0|2,0,0]=3 574 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,0]=2 575 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,0]=2 576 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|1,0,2]=4 577 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|1,0,2]=4 578 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|1,0,2]=4 579 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 580 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 581 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 582 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,2]=4 583 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,2]=4 584 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,2]=4 585 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|0,0,2]=3 586 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|1,0,2]=4 587 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 588 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 589 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|0,0,3]=4 590 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,2]=4 591 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,2]=4 592 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|0,0,3]=4 593 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|0,0,3]=4 594 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,1,0,0,0,0|2,0,1]=4 595 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,1,0,0,0,0|2,0,1]=4 596 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,2]=4 597 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|1,0,1]=3 598 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,1,0,0,0,0|2,0,1]=4 599 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,1,0,0,0,0|2,0,1]=4 600 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,1,0,0,0,0|2,0,1]=4 601 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,2]=4 602 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,2]=4 603 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,2]=4 604 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,2]=4 605 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,2]=4 606 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,2]=4 607 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,2]=4 608 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,1,0,0,0,0|2,0,1]=4 609 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,1,0,0,0,0|2,0,1]=4 610 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,1,0,0,0,0|2,0,1]=4 611 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,2]=4 612 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,2]=4 613 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,2]=4 614 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,2]=4 615 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,1,0,0,0,0|2,0,1]=4 617 B10R0.4 CCCCNC/C=C/B(O)O 2230a_100000102301_100016262062 [0,1,0,0,0,0|1,0,1]=3 618 B10R0.4 CCCCNC/C=C/B(O)O 7a_106832991798_100016262062 [0,1,0,0,0,0|1,0,1]=3 619 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,1,0,0,0,0|2,0,1]=4 620 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,1,0,0,0,0|2,0,1]=4 621 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,1,0,0,0,0|2,0,1]=4 622 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,1,0,0,0,0|2,0,1]=4 623 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,2]=4 624 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,2]=4 625 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,2]=4 626 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,1,0,0,0,0|2,0,1]=4 627 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,1,0,0,0,0|2,0,1]=4 628 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,1,0,0,0,0|2,0,1]=4 629 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,1,0,0,0,0|2,0,1]=4 630 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,1,0,0,0,0|2,0,1]=4 631 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,1,0,0,0,0|2,0,1]=4 632 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,1,0,0,0,0|2,0,1]=4 633 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,1,0,0,0,0|2,0,1]=4 634 B10R0.4 CCCCNN=CC=C(C)C 4a_100025702795_100011215525 [0,1,0,0,0,0|3,0,0]=4 635 B10R0.4 CCCCOC/C=C/B(O)O 34a_100000210227_100016262062 [0,1,0,0,0,0|1,0,1]=3 636 B10R0.4 CCCCOC/C=C/B(O)O 7a_100000210227_100016262062 [0,1,0,0,0,0|1,0,1]=3 637 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,1,0,0,0,0|2,0,1]=4 638 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,1,0,0,0,0|2,0,1]=4 639 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,1,0,0,0,0|2,0,1]=4 640 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,1,0,0,0,0|2,0,1]=4 641 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,2]=4 642 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,2]=4 643 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,2]=4 644 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,2]=4 645 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 646 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 647 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,1,0,0,0,0|2,0,1]=4 648 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,1,0,0,0,0|2,0,1]=4 649 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,1,0,0,0,0|2,0,1]=4 650 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,1,0,0,0,0|2,0,1]=4 651 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,1,0,0,0,0|2,0,1]=4 652 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,1,0,0,0,0|2,0,1]=4 653 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,1,0,0,0,0|2,0,1]=4 654 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,1,0,0,0,0|2,0,1]=4 655 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,1,0,0,0,0|2,0,1]=4 656 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,1,0,0,0,0|2,0,1]=4 657 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,1,0,0,0,0|1,0,1]=3 658 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,1,0,0,0,0|2,0,1]=4 659 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,1,0,0,0,0|2,0,1]=4 660 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,1,0,0,0,0|2,0,1]=4 661 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,1,0,0,0,0|1,0,2]=4 662 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,1,0,0,0,0|1,0,2]=4 663 B10R0.4 CCCCSC/C=C/B(O)O 62a_100000210211_100016262062 [0,1,0,0,0,0|1,0,1]=3 664 B10R0.4 CCCCSC/C=C/B(O)O 62a_100016262062_100000210210 [0,1,0,0,0,0|1,0,1]=3 665 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,1,0,0,0,0|2,0,1]=4 666 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,1,0,0,0,0|2,0,1]=4 667 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,1,0,0,0,0|2,0,1]=4 668 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,1,0,0,0,0|2,0,1]=4 669 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,2]=4 670 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,2]=4 671 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,2]=4 672 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,2]=4 673 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,1,0,0,0,0|2,0,1]=4 674 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,1,0,0,0,0|2,0,1]=4 675 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,1,0,0,0,0|2,0,1]=4 676 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,1,0,0,0,0|2,0,1]=4 677 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,1,0,0,0,0|2,0,1]=4 678 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,1,0,0,0,0|2,0,1]=4 679 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,1,0,0,0,0|2,0,1]=4 680 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,1,0,0,0,0|2,0,1]=4 681 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,1,0,0,0,0|2,0,1]=4 682 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,1,0,0,0,0|2,0,1]=4 683 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,1,0,0,0,0|2,0,1]=4 684 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,1,0,0,0,0|2,0,1]=4 685 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,2]=4 686 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|2,0,1]=4 687 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|1,0,1]=3 688 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,2]=4 689 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 690 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,2]=4 691 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|2,0,1]=4 692 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|2,0,1]=4 693 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|2,0,1]=4 694 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|2,0,1]=4 695 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|2,0,1]=4 696 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|2,0,1]=4 697 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,0,0,0,0|2,0,1]=4 698 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,0,0,0,0|2,0,1]=4 699 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,0,0,0,0|2,0,1]=4 700 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|1,0,1]=3 701 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,0,0,0,0|1,0,2]=4 702 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|2,0,1]=4 703 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|2,0,1]=4 704 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 705 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 706 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|1,0,2]=4 707 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,0,0,0,0|2,0,1]=4 708 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,0,0,0,0|2,0,1]=4 709 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,0,0,0,0|1,0,2]=4 710 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,0,0,0,0|1,0,2]=4 711 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,2]=4 712 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,2]=4 713 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|2,0,1]=4 714 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|2,0,1]=4 715 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|2,0,1]=4 716 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|2,0,1]=4 717 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,0,0,0,0|2,0,1]=4 718 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 719 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|2,0,1]=4 720 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|2,0,1]=4 721 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 722 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|1,0,2]=4 723 B10R0.4 CCNCCC/C=C/B(O)O 2230a_100015525214_200016261450 [0,1,0,0,0,0|1,0,1]=3 724 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,2]=4 725 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|2,0,1]=4 726 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|2,0,1]=4 727 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|2,0,1]=4 728 B10R0.4 CCOCCC/C=C/B(O)O 34a_100121572206_200016261450 [0,1,0,0,0,0|1,0,1]=3 729 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 730 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,2]=4 731 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,2]=4 732 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|0,0,3]=4 733 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|2,0,1]=4 735 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|2,0,1]=4 736 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|2,0,1]=4 737 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,0,0,0,0|2,0,1]=4 738 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,0,0,0,0|2,0,1]=4 739 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,0,0,0,0|2,0,1]=4 740 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|1,0,1]=3 741 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,0,0,0,0|1,0,2]=4 742 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|2,0,1]=4 743 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,0,0,0,0|2,0,1]=4 744 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,0,0,0,0|2,0,1]=4 745 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,0,0,0,0|1,0,2]=4 746 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,0,0,0,0|2,0,1]=4 747 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,0,0,0,0|2,0,1]=4 748 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,0,0,0,0|1,0,2]=4 749 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,0,0,0,0|1,0,2]=4 750 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,1,0,0,0,0|2,0,1]=4 751 B10R0.4 CCOCSC/C=C/B(O)O 62a_100000739092_100016262062 [0,1,0,0,0,0|2,0,1]=4 752 B10R0.4 CCOCSC/C=C/B(O)O 62a_100016262062_100000739092 [0,1,0,0,0,0|2,0,1]=4 753 B10R0.4 CCSCCC/C=C/B(O)O 62a_100000210202_200016261450 [0,1,0,0,0,0|1,0,1]=3 754 B10R0.4 CCSCCC/C=C/B(O)O 62a_200016261450_100000210202 [0,1,0,0,0,0|1,0,1]=3 755 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,2]=4 756 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,2]=4 757 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|2,0,1]=4 758 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|2,0,1]=4 759 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|2,0,1]=4 760 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|2,0,1]=4 761 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,0,0,0,0|1,0,2]=4 764 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,1,0,0,0,0|2,0,1]=4 765 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,1,0,0,0,0|2,0,1]=4 766 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,1,0,0,0,0|2,0,1]=4 767 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,1,0,0,0,0|2,0,1]=4 768 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,1,0,0,0,0|2,0,1]=4 769 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,1,0,0,0,0|2,0,1]=4 770 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,2]=4 771 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,1,0,0,0,0|2,0,1]=4 772 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,1,0,0,0,0|2,0,1]=4 773 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,1,0,0,0,0|2,0,1]=4 774 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,1,0,0,0,0|2,0,1]=4 775 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,1,0,0,0,0|2,0,1]=4 776 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,1,0,0,0,0|2,0,1]=4 777 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,1,0,0,0,0|1,0,1]=3 778 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,1,0,0,0,0|2,0,1]=4 779 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,1,0,0,0,0|2,0,1]=4 780 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,1,0,0,0,0|1,0,2]=4 781 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,1,0,0,0,0|2,0,1]=4 782 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,1,0,0,0,0|2,0,1]=4 783 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,1,0,0,0,0|1,0,2]=4 784 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,1,0,0,0,0|1,0,2]=4 785 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,1,0,0,0,0|2,0,1]=4 786 B10R0.4 COCCNC/C=C/B(O)O 2230a_100000209980_100016262062 [0,1,0,0,0,0|2,0,1]=4 787 B10R0.4 COCCOC/C=C/B(O)O 34a_100000210237_100016262062 [0,1,0,0,0,0|2,0,1]=4 788 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,1,0,0,0,0|2,0,1]=4 789 B10R0.4 COCCSC/C=C/B(O)O 62a_100000233755_100016262062 [0,1,0,0,0,0|2,0,1]=4 790 B10R0.4 COCCSC/C=C/B(O)O 62a_100016262062_100000233755 [0,1,0,0,0,0|2,0,1]=4 791 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,1,0,0,0,0|2,0,1]=4 793 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,1,0,0,0,0|2,0,1]=4 795 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,1,0,0,0,0|1,0,2]=4 797 B10R0.4 CSCCNC/C=C/B(O)O 2230a_100020590264_100016262062 [0,1,0,0,0,0|2,0,1]=4 798 B10R0.4 CSCCOC/C=C/B(O)O 34a_100000230434_100016262062 [0,1,0,0,0,0|2,0,1]=4 799 B10R0.4 CSCCOC/C=C/B(O)O 7a_100000230434_100016262062 [0,1,0,0,0,0|2,0,1]=4 800 B10R0.4 CSCCSC/C=C/B(O)O 62a_100000212216_100016262062 [0,1,0,0,0,0|2,0,1]=4 801 B10R0.4 CSCCSC/C=C/B(O)O 62a_100016262062_100000751147 [0,1,0,0,0,0|2,0,1]=4 802 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,1,0,0,0,0|2,0,1]=4 803 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,1,0,0,0,0|1,0,2]=4 804 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,1,0,0,0,0|2,0,1]=4 805 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,1,0,0,0,0|2,0,1]=4 806 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,1,0,0,0,0|2,0,1]=4 807 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,1]=4 808 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,1,0,0,0,0|2,0,1]=4 809 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,1,0,0,0,0|2,0,1]=4 810 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,1,0,0,0,0|2,0,1]=4 811 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,1,0,0,0,0|2,0,1]=4 812 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,1,0,0,0,0|2,0,1]=4 813 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,1,0,0,0,0|2,0,1]=4 814 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,1,0,0,0,0|2,0,1]=4 815 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,1,0,0,0,0|2,0,1]=4 816 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,1,0,0,0,0|2,0,1]=4 817 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,1,0,0,0,0|2,0,1]=4 818 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,1,0,0,0,0|2,0,1]=4 819 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,1,0,0,0,0|1,0,2]=4 820 B10R0.4 NCCCOC/C=C/B(O)O 34a_100000182051_100016262062 [0,1,0,0,0,0|2,0,1]=4 821 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,1,0,0,0,0|1,0,1]=3 822 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|1,0,1]=3 823 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,1,0,0,0,0|2,0,1]=4 824 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,1,0,0,0,0|2,0,1]=4 825 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,0,0,0,0|2,0,1]=4 826 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,1,0,0,0,0|2,0,1]=4 827 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,0,0,0,0|2,0,1]=4 828 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,1,0,0,0,0|1,0,2]=4 829 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,1,0,0,0,0|1,0,2]=4 830 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,1,0,0,0,0|1,0,2]=4 831 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,1,0,0,0,0|1,0,2]=4 832 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,1,0,0,0,0|1,0,2]=4 833 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,1,0,0,0,0|1,0,2]=4 834 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,1,0,0,0,0|1,0,2]=4 835 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,1,0,0,0,0|1,0,2]=4 836 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,1,0,0,0,0|1,0,2]=4 837 B10R0.4 OB(O)/C=C/CCCSCF 62a_100015361967_200016261450 [0,1,0,0,0,0|2,0,1]=4 838 B10R0.4 OB(O)/C=C/CCCSCF 62a_200016261450_100015361967 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.4 OB(O)/C=C/CNCCCF 2230a_100015189416_100016262062 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.4 OB(O)/C=C/CNCCCF 34a_100015189416_100016262062 [0,1,0,0,0,0|2,0,1]=4 841 B10R0.4 OB(O)/C=C/COCCCBr 34a_100011217188_100016262062 [0,1,0,0,0,0|2,0,1]=4 842 B10R0.4 OB(O)/C=C/COCCCCl 34a_100000230001_100016262062 [0,1,0,0,0,0|2,0,1]=4 843 B10R0.4 OB(O)/C=C/COCCCF 34a_100000759539_100016262062 [0,1,0,0,0,0|2,0,1]=4 844 B10R0.4 OB(O)/C=C/CSCCCF 62a_100011934791_100016262062 [0,1,0,0,0,0|2,0,1]=4 845 B10R0.4 OB(O)/C=C/CSCCCF 62a_100016262062_100011934791 [0,1,0,0,0,0|2,0,1]=4 846 B10R0.4 OCCCSC/C=C/B(O)O 62a_100011215043_100016262062 [0,1,0,0,0,0|2,0,1]=4 847 B10R0.4 OCCCSC/C=C/B(O)O 62a_100016262062_100011215043 [0,1,0,0,0,0|2,0,1]=4 848 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|1,0,2]=4 849 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,0,0,0,0|2,0,1]=4 850 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,1,0,0,0,0|2,0,1]=4 851 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,1,0,0,0,0|3,0,0]=4 852 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,1,0,0,0,0|3,0,0]=4 853 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,1,0,0,0,0|3,0,0]=4 854 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,1,0,0,0,0|3,0,0]=4 855 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,1,0,0,0,0|3,0,0]=4 856 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,1,0,0,0,0|3,0,0]=4 857 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,1,0,0,0,0|2,0,0]=3 858 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,1,0,0,0,0|2,0,0]=3 859 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,1,0,0,0,0|2,0,0]=3 860 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,1,0,0,0,0|2,0,0]=3 861 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,0|1,0,1]=3 862 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,0,0,0,0|1,0,1]=3 863 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,0,0,0,0|1,0,1]=3 864 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,0,0,0,0|0,0,2]=3 865 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,0|1,0,2]=4 866 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,0|1,0,2]=4 867 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,1,0,0,0,0|1,0,2]=4 868 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,0|2,0,1]=4 869 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,0|2,0,1]=4 870 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,0|2,0,1]=4 871 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,1,0,0,0,0|2,0,1]=4 873 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,1,0,0,0,0|2,0,1]=4 874 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,1,0,0,0,0|1,0,1]=3 876 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,1,0,0,0,0|1,0,2]=4 877 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,1,0,0,0,0|3,0,0]=4 878 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,1,0,0,0,0|3,0,0]=4 879 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,1,0,0,0,0|3,0,0]=4 880 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,1,0,0,0,0|3,0,0]=4 881 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,1,0,0,0,0|3,0,0]=4 882 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,1,0,0,0,0|3,0,0]=4 883 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,1,0,0,0,0|3,0,0]=4 884 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,1,0,0,0,0|3,0,0]=4 885 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 1626a_100000102301_100000137448 [0,1,0,0,0,0|3,0,0]=4 886 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 240690a_100000102301_100000137448 [0,1,0,0,0,0|3,0,0]=4 887 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,0|2,0,1]=4 888 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,1,0,0,0,0|2,0,1]=4 890 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,0|2,0,1]=4 891 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,1,0,0,0,0|1,0,2]=4 892 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,1,0,0,0,0|2,0,1]=4 893 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,1,0,0,0,0|1,0,2]=4 894 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,1,0,0,0,0|2,0,1]=4 895 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,1,0,0,0,0|1,0,2]=4 896 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,1,0,0,0,0|3,0,0]=4 897 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,1,0,0,0,0|3,0,0]=4 898 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,1,0,0,0,0|3,0,0]=4 899 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,1,0,0,0,0|3,0,0]=4 900 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,1,0,0,0,0|3,0,0]=4 901 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,1,0,0,0,0|3,0,0]=4 902 B10R0.6 CCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215890 [0,1,0,0,0,0|3,0,0]=4 903 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,1,0,0,0,0|2,0,1]=4 905 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,1,0,0,0,0|1,0,2]=4 906 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,1,0,0,0,0|2,0,1]=4 907 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,1,0,0,0,0|3,0,0]=4 908 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,1,0,0,0,0|3,0,0]=4 909 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,1,0,0,0,0|3,0,0]=4 910 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,1,0,0,0,0|3,0,0]=4 911 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,1,0,0,0,0|2,0,1]=4 912 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,1,0,0,0,0|1,0,2]=4 914 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,1,0,0,0,0|3,0,0]=4 915 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,1,0,0,0,0|2,0,1]=4 916 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,1,0,0,0,0|2,0,1]=4 918 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,1,0,0,0,0|3,0,0]=4 919 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,1,0,0,0,0|3,0,0]=4 920 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,1,0,0,0,0|3,0,0]=4 921 B10R0.6 COCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000740836 [0,1,0,0,0,0|3,0,0]=4 922 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,1,0,0,0,0|2,0,1]=4 923 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,1,0,0,0,0|2,0,1]=4 924 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,1,0,0,0,0|1,0,2]=4 925 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,1,0,0,0,0|2,0,1]=4 926 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,1,0,0,0,0|2,0,1]=4 927 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,1,0,0,0,0|1,0,2]=4 928 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,1,0,0,0,0|2,0,1]=4 929 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,1,0,0,0,0|2,0,1]=4 930 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,1,0,0,0,0|2,0,1]=4 931 B10R0.6 O=C(C=C(Cl)Cl)CCCCF 1458a_100000137448_100000729493 [0,1,0,0,0,0|3,0,0]=4 932 B10R0.6 O=C(C=C(Cl)Cl)CCCCO 1458a_100000137448_100000210776 [0,1,0,0,0,0|3,0,0]=4 933 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,1,0,0,0,0|1,0,2]=4 934 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,1,0,0,0,0|2,0,1]=4 935 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,1,0,0,0,0|2,0,1]=4 936 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,1,0,0,0,0|2,0,1]=4 937 B10R0.55 CCC(C)NC/C=C/B(O)O 2230a_100000209981_100016262062 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.55 CCC(C)OC/C=C/B(O)O 7a_100000210228_100016262062 [0,1,0,0,0,0|2,0,1]=4 939 B10R0.55 CCC(C)SC/C=C/B(O)O 62a_100000758301_100016262062 [0,1,0,0,0,0|2,0,1]=4 940 B10R0.55 CCC(C)SC/C=C/B(O)O 62a_100016262062_100000758301 [0,1,0,0,0,0|2,0,1]=4 941 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,1,0,0,0,0|2,0,1]=4 942 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|1,0,2]=4 944 B10R0.74 C#CCNC/C=C/C(=O)OC 34a_100000212058_100000742655 [0,1,0,0,0,0|1,0,2]=4 945 B10R0.74 C#CCOC/C=C/C(=O)OC 34a_100000210247_100000742655 [0,1,0,0,0,0|1,0,2]=4 946 B10R0.74 C#CCSC/C=C/C(=O)OC 62a_100000038162_100000742655 [0,1,0,0,0,0|1,0,2]=4 947 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|1,0,2]=4 948 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,0,0,0,0|2,0,1]=4 949 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,0,0,0,0|2,0,1]=4 950 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,1,0,0,0,0|3,0,0]=4 951 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,1,0,0,0,0|1,0,2]=4 952 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,1,0,0,0,0|1,0,2]=4 953 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,1,0,0,0,0|1,0,2]=4 954 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,1,0,0,0,0|1,0,2]=4 955 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,1,0,0,0,0|1,0,2]=4 956 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [0,1,0,0,0,0|1,0,2]=4 957 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [0,1,0,0,0,0|1,0,2]=4 958 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [0,1,0,0,0,0|1,0,2]=4 959 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [0,1,0,0,0,0|1,0,2]=4 960 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,1,0,0,0,0|1,0,2]=4 961 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,1,0,0,0,0|1,0,2]=4 962 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,1,0,0,0,0|1,0,2]=4 963 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 964 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 965 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,1,0,0,0,0|1,0,2]=4 966 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,1,0,0,0,0|1,0,2]=4 967 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,1,0,0,0,0|1,0,2]=4 968 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,1,0,0,0,0|1,0,2]=4 969 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|1,0,0]=2 970 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,1,0,0,0,0|1,0,0]=2 971 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,1,0,0,0,0|1,0,0]=2 972 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,1,0,0,0,0|1,0,0]=2 973 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,1,0,0,0,0|1,0,0]=2 974 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,2]=4 975 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,2]=4 976 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,2]=4 977 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,2]=3 978 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|1,0,2]=4 979 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 980 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 981 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|1,0,2]=4 982 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 983 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 984 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 985 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 986 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,1]=3 987 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,1]=3 988 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|2,0,1]=4 989 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|2,0,1]=4 990 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|2,0,1]=4 991 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|2,0,1]=4 992 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|2,0,1]=4 993 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|2,0,1]=4 994 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,0,0,0,0|2,0,1]=4 995 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,0,0,0,0|2,0,1]=4 996 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,0,0,0,0|1,0,1]=3 997 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|3,0,0]=4 998 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,1,0,0,0,0|3,0,0]=4 999 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,0,0,0,0|2,0,0]=3 1000 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,1,0,0,0,0|3,0,0]=4 1001 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,1,0,0,0,0|3,0,0]=4 1002 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,1,0,0,0,0|3,0,0]=4 1003 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|2,0,1]=4 1004 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|2,0,1]=4 1005 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,0,0,0,0|2,0,1]=4 1008 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,0,0,0,0|1,0,1]=3 1009 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,0,0,0,0|1,0,1]=3 1010 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|2,0,1]=4 1011 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|2,0,1]=4 1012 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,0,0,0,0|2,0,1]=4 1013 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,0,0,0,0|1,0,1]=3 1015 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,0,0,0,0|1,0,1]=3 1016 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|1,0,2]=4 1017 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|1,0,2]=4 1018 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,1,0,0,0,0|2,0,0]=3 1019 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,2]=4 1020 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|1,0,2]=4 1021 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|1,0,2]=4 1022 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|1,0,2]=4 1023 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|1,0,2]=4 1024 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,1,0,0,0,0|2,0,1]=4 1026 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,1,0,0,0,0|1,0,0]=2 1027 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|1,0,2]=4 1028 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 1029 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 1030 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,0,0,0,0|2,0,1]=4 1031 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,0,0,0,0|2,0,1]=4 1032 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,1,0,0,0,0|1,0,0]=2 1033 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,1,0,0,0,0|1,0,0]=2 1034 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|1,0,2]=4 1035 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|1,0,2]=4 1036 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 1037 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,0,0,0,0|1,0,2]=4 1039 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [0,1,0,0,0,0|2,0,1]=4 1041 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,0,0,0,0|1,0,2]=4 1042 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,0,0,0,0|1,0,2]=4 1043 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,0,0,0,0|1,0,2]=4 1044 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,0,0,0,0|2,0,1]=4 1045 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,1,0,0,0,0|2,0,1]=4 1047 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,1,0,0,0,0|2,0,1]=4 1048 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,1,0,0,0,0|3,0,0]=4 1049 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,1,0,0,0,0|2,0,1]=4 1050 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,1,0,0,0,0|2,0,1]=4 1051 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,1,0,0,0,0|2,0,1]=4 1052 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,1,0,0,0,0|2,0,1]=4 1053 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,1,0,0,0,0|2,0,1]=4 1054 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,0,0,0,0|1,0,2]=4 1055 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,0,0,0,0|1,0,2]=4 1056 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,1,0,0,0,0|2,0,1]=4 1057 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,1,0,0,0,0|2,0,1]=4 1058 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,1,0,0,0,0|2,0,1]=4 1059 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,1,0,0,0,0|2,0,1]=4 1060 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,1,0,0,0,0|2,0,1]=4 1061 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,1,0,0,0,0|2,0,1]=4 1063 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,0,0,0,0|1,0,2]=4 1064 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,0,0,0,0|1,0,2]=4 1065 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,0,0,0,0|1,0,2]=4 1066 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,0,0,0,0|2,0,1]=4 1067 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [0,1,0,0,0,0|2,0,0]=3 1068 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [0,1,0,0,0,0|2,0,0]=3 1069 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [0,1,0,0,0,0|2,0,0]=3 1070 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [0,1,0,0,0,0|2,0,0]=3 1071 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [0,1,0,0,0,0|2,0,0]=3 1072 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [0,1,0,0,0,0|2,0,1]=4 1075 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [0,1,0,0,0,0|2,0,1]=4 1076 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [0,1,0,0,0,0|2,0,0]=3 1077 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [0,1,0,0,0,0|2,0,0]=3 1078 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [0,1,0,0,0,0|2,0,0]=3 1079 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [0,1,0,0,0,0|2,0,0]=3 1080 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [0,1,0,0,0,0|2,0,0]=3 1081 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [0,1,0,0,0,0|2,0,0]=3 1082 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,0,0,0,0|1,0,2]=4 1083 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,0,0,0,0|1,0,2]=4 1084 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,0,0,0,0|1,0,2]=4 1085 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,0,0,0,0|1,0,2]=4 1086 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,0,0,0,0|1,0,2]=4 1087 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,0,0,0,0|1,0,2]=4 1088 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 1089 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 1090 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,1,0,0,0,0|2,0,1]=4 1091 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,0,0,0,0|2,0,1]=4 1092 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 1093 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 1094 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,0,0,0,0|2,0,1]=4 1095 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,1]=4 1098 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,0,0,0,0|2,0,1]=4 1099 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,1,0,0,0,0|2,0,1]=4 1101 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,1,0,0,0,0|2,0,1]=4 1102 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,0,0,0,0|2,0,1]=4 1103 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,0,0,0,0|2,0,1]=4 1104 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,0,0,0,0|1,0,2]=4 1106 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,0,0,0,0|1,0,2]=4 1107 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,1,0,0,0,0|2,0,1]=4 1108 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,1,0,0,0,0|3,0,0]=4 1109 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,0,0,0,0|2,0,1]=4 1110 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,1,0,0,0,0|2,0,1]=4 1111 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,1,0,0,0,0|2,0,1]=4 1112 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [0,1,0,0,0,0|2,0,0]=3 1113 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [0,1,0,0,0,0|2,0,0]=3 1114 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|1,0,2]=4 1115 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,2]=4 1116 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,1]=4 1117 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,1,0,0,0,0|3,0,0]=4 1118 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,1,0,0,0,0|3,0,0]=4 1119 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,1,0,0,0,0|2,0,1]=4 1120 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,1,0,0,0,0|3,0,0]=4 1121 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,1,0,0,0,0|3,0,0]=4 1122 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,1,0,0,0,0|3,0,0]=4 1123 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,1,0,0,0,0|3,0,0]=4 1124 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,1,0,0,0,0|3,0,0]=4 1125 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,1,0,0,0,0|3,0,0]=4 1126 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,1,0,0,0,0|0,0,3]=4 1127 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,1,0,0,0,0|1,0,2]=4 1128 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,1,0,0,0,0|1,0,2]=4 1129 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,2]=4 1130 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|1,0,2]=4 1131 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|1,0,2]=4 1132 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|2,0,1]=4 1133 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|2,0,1]=4 1136 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,1,0,0,0,0|2,0,0]=3 1137 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,1,0,0,0,0|1,0,2]=4 1138 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,1,0,0,0,0|2,0,1]=4 1140 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,1,0,0,0,0|2,0,1]=4 1141 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,1,0,0,0,0|2,0,1]=4 1142 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,1,0,0,0,0|2,0,1]=4 1143 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,1,0,0,0,0|2,0,1]=4 1144 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,1,0,0,0,0|1,0,1]=3 1145 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,1,0,0,0,0|2,0,1]=4 1146 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,1,0,0,0,0|2,0,1]=4 1150 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,1,0,0,0,0|2,0,1]=4 1152 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,1,0,0,0,0|1,0,2]=4 1154 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,1,0,0,0,0|1,0,2]=4 1155 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,1,0,0,0,0|2,0,1]=4 1156 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,1,0,0,0,0|2,0,1]=4 1157 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,1,0,0,0,0|2,0,1]=4 1158 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,1,0,0,0,0|2,0,1]=4 1159 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,1,0,0,0,0|2,0,1]=4 1160 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,1,0,0,0,0|2,0,1]=4 1162 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,1,0,0,0,0|2,0,1]=4 1163 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,1,0,0,0,0|1,0,2]=4 1164 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,1,0,0,0,0|1,0,2]=4 1165 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,1,0,0,0,0|1,0,2]=4 1166 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,1,0,0,0,0|1,0,2]=4 1167 B10R0.75 CCCCNNC(=O)C(=O)N 22a_100025702795_100011215815 [0,1,0,0,0,0|3,0,0]=4 1168 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,1,0,0,0,0|2,0,1]=4 1169 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,1,0,0,0,0|2,0,1]=4 1170 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,1,0,0,0,0|2,0,1]=4 1171 B10R0.75 CCOCCNC(=O)C(=O)N 240690a_100011200944_100011215815 [0,1,0,0,0,0|3,0,0]=4 1172 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,1,0,0,0,0|2,0,1]=4 1173 B10R0.75 CCSCCNC(=O)C(=O)N 240690a_100000106463_100011215815 [0,1,0,0,0,0|3,0,0]=4 1174 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,1,0,0,0,0|2,0,1]=4 1175 B10R0.75 COCCCNC(=O)C(=O)N 240690a_100150723488_100011215815 [0,1,0,0,0,0|3,0,0]=4 1176 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,1,0,0,0,0|2,0,1]=4 1177 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,1,0,0,0,0|3,0,0]=4 1178 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,1,0,0,0,0|2,0,1]=4 1180 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,1,0,0,0,0|3,0,0]=4 1181 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,1,0,0,0,0|1,0,2]=4 1182 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,1,0,0,0,0|1,0,2]=4 1183 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,1,0,0,0,0|1,0,1]=3 1186 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,1,0,0,0,0|2,0,1]=4 1187 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,1,0,0,0,0|2,0,1]=4 1188 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,1,0,0,0,0|2,0,1]=4 1189 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,1,0,0,0,0|1,0,2]=4 1190 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,1,0,0,0,0|2,0,1]=4 1191 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,1,0,0,0,0|2,0,1]=4 1192 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,1,0,0,0,0|1,0,2]=4 1193 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,1,0,0,0,0|1,0,2]=4 1194 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,1,0,0,0,0|1,0,2]=4 1195 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,1,0,0,0,0|1,0,2]=4 1196 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,1,0,0,0,0|1,0,2]=4 1197 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.97 CC(Br)COC/C=C/B(O)O 34a_100012180447_100016262062 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,1,0,0,0,0|1,0,2]=4 1201 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,1,0,0,0,0|2,0,1]=4 1204 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,1,0,0,0,0|1,0,1]=3 1205 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,1,0,0,0,0|1,0,2]=4 1206 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,1,0,0,0,0|1,0,2]=4 1209 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,1,0,0,0,0|2,0,1]=4 1211 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,1,0,0,0,0|1,0,2]=4 1212 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,1,0,0,0,0|1,0,2]=4 1213 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.97 CC(C)CNC/C=C/B(O)O 2230a_100000210953_100016262062 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.97 CC(C)CNC/C=C/B(O)O 34a_100000210953_100016262062 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.97 CC(C)COC/C=C/B(O)O 34a_100000210257_100016262062 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.97 CC(C)CSC/C=C/B(O)O 62a_100000210624_100016262062 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.97 CC(C)CSC/C=C/B(O)O 62a_100016262062_100000210760 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,1,0,0,0,0|2,0,1]=4 1221 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,1,0,0,0,0|2,0,1]=4 1222 B10R0.97 CC(F)COC/C=C/B(O)O 34a_100015925927_100016262062 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,1,0,0,0,0|1,0,1]=3 1225 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,1,0,0,0,0|1,0,2]=4 1228 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,1,0,0,0,0|1,0,2]=4 1229 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,1,0,0,0,0|2,0,1]=4 1230 B10R0.97 CC(O)CNC/C=C/B(O)O 2230a_100000210904_100016262062 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.97 CC(O)CNC/C=C/B(O)O 34a_100000210904_100016262062 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.97 CC(O)CSC/C=C/B(O)O 62a_100011218427_100016262062 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.97 CC(O)CSC/C=C/B(O)O 62a_100016262062_100011218427 [0,1,0,0,0,0|2,0,1]=4 1234 B10R0.97 CN(C)CCC/C=C/B(O)O 2230a_100102631434_200016261450 [0,1,0,0,0,0|2,0,1]=4 1235 B10R0.97 CN(C)CCC/C=C/B(O)O 269982a_100102631434_200016261450 [0,1,0,0,0,0|2,0,1]=4 1236 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,1,0,0,0,0|2,0,1]=4 1237 B10R0.97 C[C@@H](Cl)COC/C=C/B(O)O 34a_100016084084_100016262062 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.97 C[C@@H](N)COC/C=C/B(O)O 34a_100000737577_100016262062 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.97 C[C@@H](O)CSC/C=C/B(O)O 62a_100009817552_100016262062 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.97 C[C@@H](O)CSC/C=C/B(O)O 62a_100016262062_100009817552 [0,1,0,0,0,0|2,0,1]=4 1241 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [0,0,0,1,0,0|1,0,2]=4 1242 B10R1.16 CCCCc1ccc(s1)Br 271570a_100020621405_100010197418 [0,0,0,1,0,0|1,1,1]=4 1243 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,0,0,1,0,0|1,1,1]=4 1244 B10R1.16 CCCCn1cc(cn1)O 271570a_203496583355_200011400202 [0,0,0,1,0,0|3,0,0]=4 1245 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,0|2,0,1]=4 1246 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,0|2,0,1]=4 1247 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,0,0,1,0,0|2,0,1]=4 1248 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,0,0,1,0,0|2,0,1]=4 1249 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,0,0,1,0,0|2,0,1]=4 1250 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,0,0,1,0,0|2,0,1]=4 1251 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,0,0,1,0,0|2,0,1]=4 1252 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,0,0,1,0,0|2,0,1]=4 1253 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,0,0,1,0,0|2,0,1]=4 1254 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,0,0,1,0,0|2,0,1]=4 1255 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,0,0,1,0,0|2,0,1]=4 1256 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,0,0,1,0,0|2,0,1]=4 1257 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,0,0,1,0,0|2,0,1]=4 1258 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,0,0,1,0,0|2,0,1]=4 1259 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,1,0,0|2,0,1]=4 1260 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,0,0,1,0,0|2,0,1]=4 1261 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,0,0,1,0,0|2,0,1]=4 1262 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,0,0,1,0,0|2,0,1]=4 1263 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,0,0,1,0,0|2,0,1]=4 1264 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,0,0,1,0,0|2,0,1]=4 1265 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,0,0,1,0,0|2,0,1]=4 1266 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,1,0,0|2,0,1]=4 1267 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,1,0,0|2,0,1]=4 1268 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,0,0,1,0,0|2,0,1]=4 1269 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,0,0,1,0,0|2,0,1]=4 1270 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,0,0,1,0,0|2,0,1]=4 1271 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,0,0,1,0,0|2,0,1]=4 1272 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,0,0,1,0,0|2,0,1]=4 1273 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,0,0,1,0,0|2,0,1]=4 1274 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,0,0,1,0,0|2,0,1]=4 1275 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,0,0,1,0,0|2,0,1]=4 1276 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,1,0,0|1,0,0]=2 1277 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,0,0,1,0,0|2,0,0]=3 1278 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,1,0,0|1,0,2]=4 1279 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,0|1,0,2]=4 1280 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,0|1,0,2]=4 1281 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,1,0,0|2,0,1]=4 1282 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,0|2,0,1]=4 1283 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,0|2,0,1]=4 1284 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,0|2,0,1]=4 1285 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,0|2,0,1]=4 1286 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,1,0,0|1,0,0]=2 1287 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,0,0,1,0,0|2,0,0]=3 1288 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,1,0,0|1,0,2]=4 1289 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,0|1,0,2]=4 1290 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,1,0,0|2,0,1]=4 1291 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|2,0,1]=4 1292 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|2,0,1]=4 1293 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|2,0,1]=4 1294 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|2,0,1]=4 1295 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,1,0,0|1,0,2]=4 1296 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,0,1,0,0|1,0,2]=4 1297 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,0,0,1,0,0|2,0,1]=4 1298 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,0|1,0,2]=4 1299 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,0|2,0,1]=4 1300 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,0|2,0,1]=4 1301 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,0|2,0,1]=4 1302 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,0|2,0,1]=4 1303 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,0|1,0,2]=4 1304 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,0,0|1,0,2]=4 1305 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,0,0|1,0,2]=4 1306 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,0,0,1,0,0|2,0,1]=4 1307 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,0,0,1,0,0|2,0,1]=4 1308 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,0,0,1,0,0|2,0,1]=4 1309 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,0,0,1,0,0|1,0,2]=4 1310 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,0,0,1,0,0|1,0,2]=4 1311 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,0,0,1,0,0|2,0,1]=4 1312 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,0,0,1,0,0|2,0,1]=4 1313 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,0,0,1,0,0|1,0,2]=4 1314 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,1,0,0|1,0,2]=4 1315 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,0,0,1,0,0|1,0,2]=4 1316 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,0,0,1,0,0|1,0,2]=4 1317 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,0,0,1,0,0|2,0,1]=4 1318 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,0,0,1,0,0|2,0,1]=4 1319 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,0,0,1,0,0|2,0,1]=4 1320 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,0,0,1,0,0|2,0,1]=4 1321 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,0,0,1,0,0|2,0,1]=4 1322 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,0,0,1,0,0|2,0,1]=4 1323 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,0,0,1,0,0|3,0,0]=4 1324 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,0,0,1,0,0|2,0,1]=4 1325 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,0,0,1,0,0|2,0,1]=4 1326 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,0,0,1,0,0|2,0,1]=4 1327 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,0,0,1,0,0|2,0,1]=4 1328 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,0,0,1,0,0|2,0,1]=4 1329 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,0,0,1,0,0|2,0,1]=4 1330 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,0,0,1,0,0|2,0,1]=4 1331 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,0,0,1,0,0|1,0,1]=3 1332 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,0,0,1,0,0|2,0,1]=4 1333 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,0,0,1,0,0|1,0,2]=4 1334 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,0,0,1,0,0|1,0,2]=4 1335 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,0,0,1,0,0|1,0,2]=4 1336 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,0,0,1,0,0|1,0,2]=4 1337 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,1,0,0|1,0,2]=4 1338 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,0,0,1,0,0|1,0,2]=4 1339 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,0,0,1,0,0|2,0,1]=4 1340 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,0,1,0,0|2,0,1]=4 1341 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,0,1,0,0|2,0,1]=4 1342 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,0,1,0,0|1,0,2]=4 1343 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,0,0,1,0,0|1,0,2]=4 1344 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,0,1,0,0|2,0,1]=4 1345 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,0,0,1,0,0|2,0,1]=4 1346 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,0,0,1,0,0|2,0,1]=4 1347 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,0,0,1,0,0|2,0,1]=4 1348 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,0,0,1,0,0|2,0,1]=4 1349 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,0,0,1,0,0|2,0,1]=4 1350 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,0,0,1,0,0|2,0,1]=4 1351 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,0,1,0,0|1,0,1]=3 1352 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,0,0,1,0,0|2,0,1]=4 1353 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,0,0,1,0,0|2,0,1]=4 1354 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,0,1,0,0|1,0,2]=4 1355 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,0,1,0,0|1,0,2]=4 1356 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,0,1,0,0|1,0,2]=4 1357 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,0,1,0,0|1,0,2]=4 1358 B10R1.126 OB(O)/C=C/CNC1CC1 34a_100000212008_100016262062 [0,0,0,1,0,0|2,0,1]=4 1359 B10R1.126 OB(O)/C=C/CSC1CC1 62a_100016262062_100000211595 [0,0,0,1,0,0|2,0,1]=4 1360 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,0,1,0,0|2,0,1]=4 1361 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,0,0,1,0,0|3,0,0]=4 1362 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,0,0,1,0,0|2,0,1]=4 1363 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,0,0,1,0,0|2,0,1]=4 1364 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,0,0,1,0,0|2,0,1]=4 1365 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,0,0,1,0,0|2,0,1]=4 1366 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,0,0,1,0,0|2,0,1]=4 1367 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,0,0,1,0,0|2,0,1]=4 1368 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,0,0,1,0,0|1,0,1]=3 1369 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,0,0,1,0,0|2,0,1]=4 1370 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,0,0,1,0,0|2,0,1]=4 1371 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,0,0,1,0,0|2,0,1]=4 1372 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,0,0,1,0,0|1,0,2]=4 1373 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,0,0,1,0,0|1,0,2]=4 1374 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,0,0,1,0,0|1,0,2]=4 1375 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,0,0,1,0,0|1,0,2]=4 1376 B10R1.127 OB(O)/C=C/CN1CCC1 269982a_100000754969_100016262062 [0,0,0,1,0,0|2,0,1]=4 1377 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,2]=4 1378 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,2]=4 1379 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|2,0,1]=4 1380 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|2,0,1]=4 1381 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|2,0,1]=4 1382 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|2,0,1]=4 1383 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,2]=4 1384 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|1,0,1]=4 1385 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|1,0,1]=4 1386 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|1,0,1]=4 1387 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|1,0,1]=4 1388 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|1,0,1]=4 1389 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 1390 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 1391 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 1392 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,1]=4 1393 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 1394 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 1395 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 1396 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 1397 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,1]=4 1398 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 1399 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 1400 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 1401 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|1,0,1]=4 1402 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|1,0,1]=4 1403 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|1,0,1]=4 1404 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|1,0,1]=4 1405 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 1406 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,1]=4 1407 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 1408 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 1409 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 1410 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 1411 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,1]=4 1412 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,1]=4 1413 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,1]=4 1414 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,1]=4 1415 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,1]=4 1416 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,1]=4 1417 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,1]=4 1418 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,1]=4 1419 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,1]=4 1420 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,1]=4 1421 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 1422 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 1423 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 1424 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 1425 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 1426 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [2,0,0,0,0,0|2,0,0]=4 1427 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [2,0,0,0,0,0|2,0,0]=4 1432 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [2,0,0,0,0,0|2,0,0]=4 1435 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,1]=4 1436 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,1]=4 1437 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|1,0,1]=4 1438 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|1,0,1]=4 1439 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|1,0,1]=4 1440 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,1]=4 1441 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,1]=4 1442 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,1]=4 1443 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,1]=4 1444 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,1]=4 1445 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,1]=4 1446 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,1]=4 1447 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,1]=4 1448 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,1]=4 1449 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 1450 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,1]=4 1451 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,1]=4 1452 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,1]=4 1453 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,1]=4 1454 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,1]=4 1455 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|2,0,0]=4 1456 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|2,0,0]=4 1457 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|2,0,0]=4 1458 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1459 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|2,0,0]=4 1460 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|2,0,0]=4 1461 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|2,0,0]=4 1462 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,0]=3 1463 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,0]=3 1464 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|1,0,0]=3 1465 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|1,0,0]=3 1466 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|1,0,0]=3 1467 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 1468 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 1469 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|2,0,0]=4 1470 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|2,0,0]=4 1471 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1472 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,0]=3 1473 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|2,0,0]=4 1474 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|2,0,0]=4 1475 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 1476 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|2,0,0]=4 1477 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|1,0,1]=4 1478 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|2,0,0]=4 1479 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 1480 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 1481 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|2,0,0]=4 1482 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 1483 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 1484 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 1485 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 1486 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|2,0,0]=4 1487 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|2,0,0]=4 1488 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|2,0,0]=4 1489 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|2,0,0]=4 1490 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 1491 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|2,0,0]=4 1492 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 1493 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 1494 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 1495 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|2,0,0]=4 1496 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|2,0,0]=4 1497 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|2,0,0]=4 1498 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|2,0,0]=4 1499 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|2,0,0]=4 1500 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 1501 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 1502 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|2,0,0]=4 1503 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|2,0,0]=4 1504 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|2,0,0]=4 1505 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 1506 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 1507 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 1508 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [2,0,0,0,0,0|2,0,0]=4 1509 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [2,0,0,0,0,0|2,0,0]=4 1510 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|2,0,0]=4 1511 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1512 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1513 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|2,0,0]=4 1514 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|2,0,0]=4 1515 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 1516 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1517 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 1518 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|2,0,0]=4 1519 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|2,0,0]=4 1520 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|2,0,0]=4 1521 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 1522 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 1523 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|2,0,0]=4 1524 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 1525 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 1526 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|2,0,0]=4 1527 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|2,0,0]=4 1528 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 1529 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 1530 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 1531 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|1,0,1]=4 1532 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|1,0,1]=4 1533 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|1,0,0]=3 1534 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|2,0,0]=4 1535 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|2,0,0]=4 1536 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,1,0,0,0,0|2,0,0]=4 1537 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|2,0,0]=4 1538 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,1,0,0,0,0|2,0,0]=4 1539 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|2,0,0]=4 1540 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|2,0,0]=4 1541 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|2,0,0]=4 1542 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,1,0,0,0,0|1,0,1]=4 1543 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,1,0,0,0,0|1,0,1]=4 1544 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,1,0,0,0,0|1,0,1]=4 1545 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,1,0,0,0,0|1,0,1]=4 1546 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,1,0,0,0,0|1,0,0]=3 1547 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,1,0,0,0,0|1,0,0]=3 1548 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,1,0,0,0,0|1,0,0]=3 1549 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,2]=4 1550 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,2]=4 1551 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,1,0,0,0,0|1,0,1]=4 1552 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,1,0,0,0,0|1,0,1]=4 1553 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [1,1,0,0,0,0|2,0,0]=4 1554 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [1,1,0,0,0,0|2,0,0]=4 1555 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [1,1,0,0,0,0|2,0,0]=4 1556 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [1,1,0,0,0,0|2,0,0]=4 1557 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [1,1,0,0,0,0|2,0,0]=4 1558 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [1,1,0,0,0,0|2,0,0]=4 1559 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,1]=4 1560 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [1,1,0,0,0,0|2,0,0]=4 1561 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [1,1,0,0,0,0|2,0,0]=4 1562 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [1,1,0,0,0,0|2,0,0]=4 1563 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [1,1,0,0,0,0|2,0,0]=4 1564 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [1,1,0,0,0,0|2,0,0]=4 1565 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [1,1,0,0,0,0|2,0,0]=4 1568 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [1,1,0,0,0,0|2,0,0]=4 1569 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [1,1,0,0,0,0|2,0,0]=4 1570 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [1,1,0,0,0,0|2,0,0]=4 1571 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [1,1,0,0,0,0|2,0,0]=4 1572 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [1,1,0,0,0,0|2,0,0]=4 1573 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [1,1,0,0,0,0|2,0,0]=4 1574 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [1,1,0,0,0,0|2,0,0]=4 1575 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,1,0,0,0,0|1,0,1]=4 1578 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,1,0,0,0,0|1,0,1]=4 1580 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,1,0,0,0,0|1,0,1]=4 1581 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,1,0,0,0,0|1,0,1]=4 1582 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,1,0,0,0,0|1,0,1]=4 1583 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,1,0,0,0,0|1,0,1]=4 1584 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,1,0,0,0,0|1,0,1]=4 1585 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,1,0,0,0,0|1,0,1]=4 1586 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,1,0,0,0,0|1,0,1]=4 1587 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,1,0,0,0,0|1,0,1]=4 1588 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,1,0,0,0,0|1,0,1]=4 1589 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,1,0,0,0,0|1,0,1]=4 1590 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|1,0,1]=4 1591 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|1,0,1]=4 1592 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|1,0,1]=4 1593 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|1,0,1]=4 1594 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,1,0,0,0,0|1,0,1]=4 1595 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,1,0,0,0,0|1,0,1]=4 1596 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,1,0,0,0,0|1,0,1]=4 1597 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,1,0,0,0,0|1,0,1]=4 1599 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,1,0,0,0,0|1,0,1]=4 1600 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,1,0,0,0,0|1,0,1]=4 1601 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,1,0,0,0,0|1,0,1]=4 1602 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,1,0,0,0,0|1,0,1]=4 1604 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,1,0,0,0,0|1,0,1]=4 1605 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,1,0,0,0,0|1,0,1]=4 1606 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,1,0,0,0,0|1,0,1]=4 1607 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,1,0,0,0,0|1,0,1]=4 1608 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,1,0,0,0,0|1,0,1]=4 1609 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,1,0,0,0,0|1,0,1]=4 1610 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,1,0,0,0,0|1,0,1]=4 1611 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,1,0,0,0,0|1,0,1]=4 1612 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,1,0,0,0,0|1,0,1]=4 1613 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|0,0,1]=3 1614 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|0,0,1]=3 1615 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|0,0,1]=3 1616 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|0,0,1]=3 1617 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,1,0,0,0,0|0,0,2]=4 1618 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 1619 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 1620 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,1,0,0,0,0|0,0,2]=4 1621 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,1,0,0,0,0|0,0,2]=4 1622 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,1,0,0,0,0|0,0,2]=4 1623 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,1,0,0,0,0|0,0,2]=4 1624 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,1,0,0,0,0|0,0,2]=4 1625 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,1,0,0,0,0|1,0,1]=4 1626 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,1,0,0,0,0|1,0,1]=4 1627 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,1,0,0,0,0|0,0,2]=4 1628 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,1,0,0,0,0|0,0,2]=4 1629 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,1,0,0,0,0|1,0,1]=4 1630 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,1,0,0,0,0|1,0,1]=4 1631 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,1,0,0,0,0|1,0,1]=4 1632 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,1,0,0,0,0|1,0,1]=4 1633 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,1,0,0,0,0|1,0,1]=4 1634 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,1,0,0,0,0|1,0,1]=4 1635 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,1,0,0,0,0|0,0,2]=4 1636 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,1,0,0,0,0|0,0,2]=4 1637 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,1,0,0,0,0|1,0,1]=4 1638 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,1,0,0,0,0|1,0,1]=4 1639 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,1,0,0,0,0|1,0,1]=4 1640 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,1,0,0,0,0|0,0,2]=4 1641 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,1,0,0,0,0|1,0,1]=4 1642 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,1,0,0,0,0|1,0,1]=4 1643 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,1,0,0,0,0|1,0,1]=4 1645 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,1,0,0,0,0|1,0,1]=4 1646 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,1,0,0,0,0|1,0,1]=4 1647 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,1,0,0,0,0|0,0,2]=4 1648 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,1,0,0,0,0|0,0,2]=4 1649 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,1,0,0,0,0|1,0,1]=4 1650 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,1,0,0,0,0|1,0,1]=4 1651 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,1,0,0,0,0|1,0,1]=4 1652 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,1,0,0,0,0|1,0,1]=4 1653 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,1,0,0,0,0|1,0,1]=4 1655 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,1,0,0,0,0|1,0,1]=4 1656 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,1]=4 1657 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,1,0,0,0,0|1,0,1]=4 1659 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,1,0,0,0,0|1,0,1]=4 1664 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,1,0,0,0,0|1,0,1]=4 1665 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,1,0,0,0,0|1,0,1]=4 1666 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,1,0,0,0,0|1,0,1]=4 1667 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,1,0,0,0,0|1,0,1]=4 1668 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,1,0,0,0,0|1,0,1]=4 1669 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,1,0,0,0,0|1,0,1]=4 1670 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,1,0,0,0,0|2,0,0]=4 1671 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,1,0,0,0,0|2,0,0]=4 1672 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [1,1,0,0,0,0|1,0,1]=4 1673 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|1,0,1]=4 1674 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,2]=4 1675 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|1,0,1]=4 1676 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|1,0,1]=4 1677 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [1,1,0,0,0,0|2,0,0]=4 1678 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [1,1,0,0,0,0|2,0,0]=4 1679 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [1,1,0,0,0,0|2,0,0]=4 1680 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [1,1,0,0,0,0|1,0,1]=4 1682 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [1,1,0,0,0,0|1,0,1]=4 1683 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [1,1,0,0,0,0|1,0,1]=4 1684 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [1,1,0,0,0,0|1,0,1]=4 1685 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|2,0,0]=4 1686 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,1,0,0,0,0|2,0,0]=4 1687 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,1,0,0,0,0|2,0,0]=4 1688 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [1,1,0,0,0,0|2,0,0]=4 1689 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,1,0,0,0,0|1,0,1]=4 1690 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,1,0,0,0,0|1,0,1]=4 1691 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,1,0,0,0,0|0,0,2]=4 1692 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 1693 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 1694 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|2,0,0]=4 1695 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|2,0,0]=4 1696 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [1,1,0,0,0,0|2,0,0]=4 1699 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,1,0,0,0,0|0,0,2]=4 1700 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|1,0,1]=4 1701 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|1,0,1]=4 1702 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,1,0,0,0,0|1,0,1]=4 1703 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,1,0,0,0,0|1,0,1]=4 1704 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,1,0,0,0,0|1,0,1]=4 1705 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [1,1,0,0,0,0|2,0,0]=4 1706 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [1,1,0,0,0,0|2,0,0]=4 1707 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [1,1,0,0,0,0|2,0,0]=4 1708 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [1,1,0,0,0,0|2,0,0]=4 1709 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [1,1,0,0,0,0|2,0,0]=4 1710 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [1,1,0,0,0,0|1,0,1]=4 1711 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [1,1,0,0,0,0|1,0,1]=4 1712 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [1,1,0,0,0,0|1,0,1]=4 1713 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [1,1,0,0,0,0|2,0,0]=4 1714 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [1,1,0,0,0,0|2,0,0]=4 1715 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [1,1,0,0,0,0|2,0,0]=4 1716 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,1,0,0,0,0|1,0,1]=4 1717 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|1,0,1]=4 1718 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|1,0,1]=4 1719 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 1720 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 1721 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|2,0,0]=4 1722 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|2,0,0]=4 1723 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|1,0,1]=4 1724 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,1,0,0,0,0|1,0,1]=4 1725 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,1,0,0,0,0|1,0,1]=4 1726 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,2,0,0,0,0|2,0,0]=4 1727 B11R0.1 CCCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100011216630 [0,2,0,0,0,0|2,0,0]=4 1728 B11R0.1 CCCC(C)CC(=O)C=C(C)I 1458a_100025716642_100011216630 [0,2,0,0,0,0|2,0,0]=4 1729 B11R0.1 CCCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011216630 [0,2,0,0,0,0|2,0,0]=4 1730 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100000748435_100000187820 [0,2,0,0,0,0|1,0,1]=4 1731 B11R0.1 CCCC(C)CC(=O)CC(=O)N 1458a_100134613110_100011216630 [0,2,0,0,0,0|1,0,1]=4 1732 B11R0.1 CCCC(C)CC(=O)CC(=O)[O-] 1458a_100000748435_100020667443 [0,2,0,0,0,0|0,0,2]=4 1733 B11R0.1 CCCC(C)CN(C)CC(=O)O 269956a_100000746989_100011216630 [0,2,0,0,0,0|1,0,1]=4 1734 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,2,0,0,0,0|2,0,0]=4 1735 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,2,0,0,0,0|2,0,0]=4 1736 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,2,0,0,0,0|2,0,0]=4 1737 B11R0.6 CC(=CC(=O)CCCC(C)O)C 1458a_100000211388_200000718107 [0,2,0,0,0,0|2,0,0]=4 1738 B11R0.6 CC(=CC(=O)CCCC(C)O)Cl 1458a_200042562850_200000718107 [0,2,0,0,0,0|2,0,0]=4 1739 B11R0.6 CC(=CC(=O)CCCC(C)O)I 1458a_100025716642_200000718107 [0,2,0,0,0,0|2,0,0]=4 1740 B11R0.6 CC(C)CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011214892 [0,2,0,0,0,0|2,0,0]=4 1741 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,2,0,0,0,0|1,0,1]=4 1742 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,2,0,0,0,0|1,0,1]=4 1743 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,2,0,0,0,0|0,0,2]=4 1744 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,2,0,0,0,0|1,0,1]=4 1745 B11R0.6 CC(O)CCCC(=O)C=C(Cl)Cl 1458a_100000137448_200000718107 [0,2,0,0,0,0|2,0,0]=4 1746 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [0,2,0,0,0,0|1,0,1]=4 1747 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,2,0,0,0,0|1,0,1]=4 1748 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216630 [0,2,0,0,0,0|1,0,1]=4 1749 B11R0.147 CCCCC(=O)C/C=C/B(O)O 1458a_100000210183_100016262062 [0,2,0,0,0,0|1,0,1]=4 1750 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [0,2,0,0,0,0|1,0,1]=4 1751 B11R0.147 CCCCN(C)C/C=C/B(O)O 2230a_100000207549_100016262062 [0,2,0,0,0,0|1,0,1]=4 1752 B11R0.147 CCCCN(C)C/C=C/B(O)O 269982a_100000207549_100016262062 [0,2,0,0,0,0|1,0,1]=4 1753 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,2,0,0,0,0|0,0,2]=4 1754 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,2,0,0,0,0|1,0,1]=4 1755 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,2,0,0,0,0|1,0,1]=4 1756 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,2,0,0,0,0|1,0,1]=4 1757 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,2,0,0,0,0|1,0,1]=4 1758 B11R0.174 CCCN(C)C/C=C/C(=O)OC 2230a_100000747261_100000742655 [0,2,0,0,0,0|1,0,0]=3 1759 B11R0.174 CCCN(C)C/C=C/C(=O)OC 269982a_100000747261_100000742655 [0,2,0,0,0,0|1,0,0]=3 1760 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,2,0,0,0,0|1,0,1]=4 1761 B11R0.174 COC(=O)/C=C/CN(C)CCO 2230a_100000210263_100000742655 [0,2,0,0,0,0|2,0,0]=4 1762 B11R0.174 COC(=O)/C=C/CN(C)CCO 269982a_100000210263_100000742655 [0,2,0,0,0,0|2,0,0]=4 1763 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,2,0,0,0,0|2,0,0]=4 1764 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,2,0,0,0,0|2,0,0]=4 1765 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,2,0,0,0,0|2,0,0]=4 1766 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,2,0,0,0,0|2,0,0]=4 1767 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,2,0,0,0,0|2,0,0]=4 1768 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,2,0,0,0,0|2,0,0]=4 1769 B11R0.2 CCCCC=CC(=O)CC(=O)N 1458a_100016266645_100000187820 [0,2,0,0,0,0|1,0,1]=4 1770 B11R0.2 CCCCC=CC(=O)CC(=O)[O-] 1458a_100016266645_100020667443 [0,2,0,0,0,0|0,0,2]=4 1771 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,2,0,0,0,0|2,0,0]=4 1772 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,2,0,0,0,0|2,0,0]=4 1773 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,2,0,0,0,0|2,0,0]=4 1774 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [0,2,0,0,0,0|2,0,0]=4 1775 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,2,0,0,0,0|1,0,1]=4 1776 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,2,0,0,0,0|1,0,1]=4 1777 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,2,0,0,0,0|0,0,2]=4 1778 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,2,0,0,0,0|0,0,2]=4 1779 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,2,0,0,0,0|2,0,0]=4 1780 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,2,0,0,0,0|2,0,0]=4 1781 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,2,0,0,0,0|2,0,0]=4 1782 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,2,0,0,0,0|2,0,0]=4 1783 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,2,0,0,0,0|2,0,0]=4 1784 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,2,0,0,0,0|2,0,0]=4 1785 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,2,0,0,0,0|2,0,0]=4 1786 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,2,0,0,0,0|2,0,0]=4 1787 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 1626a_100000209983_100000137448 [0,2,0,0,0,0|2,0,0]=4 1788 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 240690a_100000209983_100000137448 [0,2,0,0,0,0|2,0,0]=4 1789 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,2,0,0,0,0|1,0,1]=4 1790 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 1791 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 1792 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,2,0,0,0,0|2,0,0]=4 1793 B11R0.2 CCCCNCC(=O)NC(=O)N 2230a_100000102301_100000182717 [0,2,0,0,0,0|2,0,0]=4 1794 B11R0.2 CCCCNCC(=O)NC(=O)N 7a_106832991798_100000182717 [0,2,0,0,0,0|2,0,0]=4 1795 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,2,0,0,0,0|0,0,2]=4 1796 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,2,0,0,0,0|2,0,0]=4 1797 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,2,0,0,0,0|2,0,0]=4 1798 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,2,0,0,0,0|2,0,0]=4 1799 B11R0.2 CCCCOCC(=O)C=C(Cl)Cl 1458a_100000137448_100011995733 [0,2,0,0,0,0|2,0,0]=4 1800 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,2,0,0,0,0|1,0,1]=4 1801 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,2,0,0,0,0|1,0,1]=4 1802 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,2,0,0,0,0|0,0,2]=4 1803 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,2,0,0,0,0|2,0,0]=4 1804 B11R0.2 CCCCOCC(=O)NC(=O)N 7a_100000210227_100000182717 [0,2,0,0,0,0|2,0,0]=4 1805 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [0,2,0,0,0,0|1,0,1]=4 1806 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [0,2,0,0,0,0|1,0,1]=4 1807 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [0,2,0,0,0,0|0,0,2]=4 1808 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,2,0,0,0,0|2,0,0]=4 1809 B11R0.2 CCCCSCC(=O)NC(=O)N 62a_100000210211_100000182717 [0,2,0,0,0,0|2,0,0]=4 1810 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,2,0,0,0,0|2,0,0]=4 1811 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [0,2,0,0,0,0|2,0,0]=4 1812 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [0,2,0,0,0,0|2,0,0]=4 1813 B11R0.2 CCCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215938 [0,2,0,0,0,0|2,0,0]=4 1814 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [0,2,0,0,0,0|1,0,1]=4 1815 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [0,2,0,0,0,0|1,0,1]=4 1816 B11R0.2 CCCSCCC(=O)NC(=O)N 62a_100000210303_100000237605 [0,2,0,0,0,0|2,0,0]=4 1817 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,2,0,0,0,0|2,0,0]=4 1818 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [0,2,0,0,0,0|2,0,0]=4 1819 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [0,2,0,0,0,0|2,0,0]=4 1820 B11R0.2 CCOCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100012232248 [0,2,0,0,0,0|2,0,0]=4 1821 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [0,2,0,0,0,0|1,0,1]=4 1822 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [0,2,0,0,0,0|1,0,1]=4 1823 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [0,2,0,0,0,0|1,0,1]=4 1824 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,2,0,0,0,0|1,0,1]=4 1825 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,2,0,0,0,0|2,0,0]=4 1826 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [0,2,0,0,0,0|2,0,0]=4 1827 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [0,2,0,0,0,0|2,0,0]=4 1828 B11R0.2 COCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000755781 [0,2,0,0,0,0|2,0,0]=4 1829 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [0,2,0,0,0,0|1,0,1]=4 1830 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,2,0,0,0,0|1,0,1]=4 1831 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [0,2,0,0,0,0|1,0,1]=4 1832 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [0,2,0,0,0,0|1,0,1]=4 1833 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [0,2,0,0,0,0|1,0,1]=4 1834 B11R0.2 O=C(C=C(Cl)Cl)CCCCCF 1458a_100000137448_100000729378 [0,2,0,0,0,0|2,0,0]=4 1835 B11R0.2 O=C(C=C(Cl)Cl)CCCCCO 1458a_100000137448_100000746330 [0,2,0,0,0,0|2,0,0]=4 1836 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [0,2,0,0,0,0|0,0,2]=4 1837 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,2,0,0,0,0|1,0,1]=4 1838 B11R0.30 CC(Br)CCOC/C=C/B(O)O 34a_100009893172_100016262062 [0,2,0,0,0,0|1,0,1]=4 1839 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,2,0,0,0,0|0,0,2]=4 1840 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [0,2,0,0,0,0|1,0,1]=4 1841 B11R0.30 CC(C)CCOC/C=C/B(O)O 34a_100000210254_100016262062 [0,2,0,0,0,0|1,0,1]=4 1842 B11R0.30 CC(C)CCOC/C=C/B(O)O 7a_100000210254_100016262062 [0,2,0,0,0,0|1,0,1]=4 1843 B11R0.30 CC(C)CCSC/C=C/B(O)O 62a_100000210312_100016262062 [0,2,0,0,0,0|1,0,1]=4 1844 B11R0.30 CC(C)CCSC/C=C/B(O)O 62a_100016262062_100000210312 [0,2,0,0,0,0|1,0,1]=4 1845 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [0,2,0,0,0,0|1,0,1]=4 1846 B11R0.30 CC(C)NCCC/C=C/B(O)O 2230a_100138425928_200016261450 [0,2,0,0,0,0|1,0,1]=4 1847 B11R0.30 CC(C)NCCC/C=C/B(O)O 34a_100138425928_200016261450 [0,2,0,0,0,0|1,0,1]=4 1848 B11R0.30 CC(C)OCCC/C=C/B(O)O 34a_100000212225_200016261450 [0,2,0,0,0,0|1,0,1]=4 1849 B11R0.30 CC(C)SCCC/C=C/B(O)O 62a_100000210206_200016261450 [0,2,0,0,0,0|1,0,1]=4 1850 B11R0.30 CC(C)SCCC/C=C/B(O)O 62a_200016261450_100000210206 [0,2,0,0,0,0|1,0,1]=4 1851 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,2,0,0,0,0|1,0,1]=4 1852 B11R0.30 CC(O)CCNC/C=C/B(O)O 2230a_200000755665_100016262062 [0,2,0,0,0,0|1,0,1]=4 1853 B11R0.30 CC(O)CCSC/C=C/B(O)O 62a_100012276601_100016262062 [0,2,0,0,0,0|1,0,1]=4 1854 B11R0.30 CC(O)CCSC/C=C/B(O)O 62a_100016262062_100012276601 [0,2,0,0,0,0|1,0,1]=4 1855 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,2,0,0,0,0|1,0,1]=4 1856 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,2,0,0,0,0|1,0,1]=4 1857 B11R0.30 C[C@@H](N)CCOC/C=C/B(O)O 34a_100000706166_100016262062 [0,2,0,0,0,0|1,0,1]=4 1858 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,2,0,0,0,0|1,0,1]=4 1859 B11R0.40 C#CCCNC/C=C/C(=O)OC 34a_100000755551_100000742655 [0,2,0,0,0,0|0,0,2]=4 1860 B11R0.40 C#CCCOC/C=C/C(=O)OC 34a_100011215631_100000742655 [0,2,0,0,0,0|0,0,2]=4 1861 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000688953_100000742655 [0,2,0,0,0,0|0,0,2]=4 1862 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000742655_100000688953 [0,2,0,0,0,0|0,0,2]=4 1863 B11R0.40 C/C=C/COC/C=C/C(=O)OC 34a_100016270725_100000742655 [0,2,0,0,0,0|0,0,2]=4 1864 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100000742655_100102629194 [0,2,0,0,0,0|0,0,2]=4 1865 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100102629194_100000742655 [0,2,0,0,0,0|0,0,2]=4 1866 B11R0.40 C=CCCNC/C=C/C(=O)OC 2230a_100015191253_100000742655 [0,2,0,0,0,0|0,0,2]=4 1867 B11R0.40 C=CCCOC/C=C/C(=O)OC 34a_100011205117_100000742655 [0,2,0,0,0,0|0,0,2]=4 1868 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000742655_100000754431 [0,2,0,0,0,0|0,0,2]=4 1869 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000754431_100000742655 [0,2,0,0,0,0|0,0,2]=4 1870 B11R0.40 CC#CCNC/C=C/C(=O)OC 2230a_100000685387_100000742655 [0,2,0,0,0,0|0,0,2]=4 1871 B11R0.40 CC#CCNC/C=C/C(=O)OC 34a_100000685387_100000742655 [0,2,0,0,0,0|0,0,2]=4 1872 B11R0.40 CC#CCOC/C=C/C(=O)OC 34a_100000761923_100000742655 [0,2,0,0,0,0|0,0,2]=4 1873 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000742655_100000748600 [0,2,0,0,0,0|0,0,2]=4 1874 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000748600_100000742655 [0,2,0,0,0,0|0,0,2]=4 1875 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000070051_100000742655 [0,2,0,0,0,0|0,0,2]=4 1876 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000742655_100000070051 [0,2,0,0,0,0|0,0,2]=4 1877 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|1,0,0]=3 1878 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,2,0,0,0,0|1,0,0]=3 1879 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,2,0,0,0,0|1,0,0]=3 1880 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,2,0,0,0,0|1,0,0]=3 1881 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,2,0,0,0,0|1,0,0]=3 1882 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|0,0,2]=4 1883 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,2,0,0,0,0|2,0,0]=4 1884 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|1,0,0]=3 1885 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|1,0,0]=3 1886 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,2,0,0,0,0|1,0,0]=3 1887 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,2,0,0,0,0|1,0,0]=3 1888 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,2,0,0,0,0|1,0,0]=3 1889 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 1890 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 1891 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|0,0,2]=4 1892 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|0,0,2]=4 1893 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 1894 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|0,0,2]=4 1895 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|0,0,2]=4 1896 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|0,0,2]=4 1897 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|0,0,2]=4 1898 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,2,0,0,0,0|1,0,0]=3 1899 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|0,0,2]=4 1900 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|0,0,2]=4 1901 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|0,0,2]=4 1902 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|0,0,2]=4 1903 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|1,0,1]=4 1904 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,2,0,0,0,0|0,0,0]=2 1905 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,2,0,0,0,0|0,0,0]=2 1906 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|0,0,2]=4 1907 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|0,0,2]=4 1908 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,2,0,0,0,0|1,0,1]=4 1909 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,2,0,0,0,0|0,0,0]=2 1910 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,2,0,0,0,0|0,0,0]=2 1911 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|0,0,2]=4 1912 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|0,0,2]=4 1913 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,2,0,0,0,0|1,0,1]=4 1914 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|1,0,1]=4 1915 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,2,0,0,0,0|1,0,1]=4 1916 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,2,0,0,0,0|1,0,1]=4 1917 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,2,0,0,0,0|0,0,0]=2 1918 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,2,0,0,0,0|0,0,0]=2 1919 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|0,0,2]=4 1920 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|0,0,2]=4 1921 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|1,0,1]=4 1922 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|1,0,1]=4 1923 B11R0.40 CCCNN=CC=CC(=O)OC 4a_100000740057_100016254430 [0,2,0,0,0,0|1,0,1]=4 1924 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|0,0,2]=4 1925 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|0,0,2]=4 1926 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|0,0,2]=4 1927 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|1,0,1]=4 1928 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|1,0,1]=4 1929 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,2,0,0,0,0|1,0,1]=4 1930 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,2,0,0,0,0|1,0,1]=4 1931 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,1]=4 1932 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 1933 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 1934 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,2,0,0,0,0|1,0,1]=4 1935 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,2,0,0,0,0|1,0,1]=4 1936 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|0,0,2]=4 1937 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|0,0,2]=4 1938 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,2,0,0,0,0|1,0,1]=4 1939 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 1940 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|1,0,1]=4 1941 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|1,0,1]=4 1942 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|1,0,1]=4 1943 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|0,0,2]=4 1944 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|0,0,2]=4 1945 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|0,0,2]=4 1946 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|0,0,2]=4 1947 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,2,0,0,0,0|1,0,1]=4 1948 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,2,0,0,0,0|1,0,1]=4 1949 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,2,0,0,0,0|1,0,1]=4 1950 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,2,0,0,0,0|1,0,1]=4 1951 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,2,0,0,0,0|1,0,1]=4 1952 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,2,0,0,0,0|1,0,1]=4 1953 B11R0.40 CCOCCNN=CC(=O)OC 4a_100000732670_200011823558 [0,2,0,0,0,0|2,0,0]=4 1954 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [0,2,0,0,0,0|1,0,0]=3 1955 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [0,2,0,0,0,0|1,0,0]=3 1956 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|0,0,2]=4 1957 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|0,0,2]=4 1958 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,2,0,0,0,0|1,0,1]=4 1959 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,2,0,0,0,0|1,0,1]=4 1960 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|0,0,2]=4 1961 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|0,0,2]=4 1962 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|0,0,2]=4 1963 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [0,2,0,0,0,0|1,0,0]=3 1964 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [0,2,0,0,0,0|1,0,0]=3 1965 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [0,2,0,0,0,0|1,0,0]=3 1966 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [0,2,0,0,0,0|1,0,0]=3 1967 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [0,2,0,0,0,0|1,0,0]=3 1968 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [0,2,0,0,0,0|1,0,0]=3 1969 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [0,2,0,0,0,0|1,0,0]=3 1970 B11R0.40 COC(=O)/C=C/COCCON 34a_100000700252_100000742655 [0,2,0,0,0,0|2,0,0]=4 1971 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [0,2,0,0,0,0|1,0,0]=3 1972 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [0,2,0,0,0,0|1,0,0]=3 1973 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100000742655_100011215226 [0,2,0,0,0,0|1,0,1]=4 1974 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100011215226_100000742655 [0,2,0,0,0,0|1,0,1]=4 1975 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [0,2,0,0,0,0|1,0,0]=3 1976 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [0,2,0,0,0,0|1,0,0]=3 1977 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,2,0,0,0,0|1,0,0]=3 1978 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,2,0,0,0,0|1,0,0]=3 1979 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [0,2,0,0,0,0|1,0,0]=3 1980 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [0,2,0,0,0,0|1,0,0]=3 1981 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|0,0,2]=4 1982 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|0,0,2]=4 1983 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|0,0,2]=4 1984 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|0,0,2]=4 1985 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|0,0,2]=4 1986 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|0,0,2]=4 1987 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 1988 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 1989 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,2,0,0,0,0|1,0,1]=4 1990 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,2,0,0,0,0|1,0,1]=4 1991 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 1992 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 1993 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,2,0,0,0,0|1,0,1]=4 1994 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,2,0,0,0,0|1,0,1]=4 1995 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,1]=4 1996 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,2,0,0,0,0|1,0,1]=4 1997 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,2,0,0,0,0|1,0,1]=4 1998 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,2,0,0,0,0|1,0,1]=4 1999 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,2,0,0,0,0|1,0,1]=4 2000 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|1,0,1]=4 2001 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|1,0,1]=4 2002 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|0,0,2]=4 2003 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|0,0,2]=4 2004 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|0,0,2]=4 2005 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|0,0,2]=4 2006 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|1,0,1]=4 2007 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|1,0,1]=4 2008 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,2,0,0,0,0|1,0,1]=4 2009 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,2,0,0,0,0|1,0,1]=4 2010 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,2,0,0,0,0|1,0,1]=4 2011 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [0,2,0,0,0,0|1,0,0]=3 2012 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [0,2,0,0,0,0|1,0,0]=3 2013 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [0,2,0,0,0,0|1,0,0]=3 2014 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [0,2,0,0,0,0|1,0,0]=3 2015 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|0,0,2]=4 2016 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 2017 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,1]=4 2018 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,2,0,0,0,0|1,0,0]=3 2019 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,2,0,0,0,0|1,0,0]=3 2020 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,2,0,0,0,0|1,0,0]=3 2021 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,2,0,0,0,0|1,0,0]=3 2022 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|0,0,2]=4 2023 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,2]=4 2024 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,2]=4 2025 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,2,0,0,0,0|1,0,1]=4 2026 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|1,0,1]=4 2027 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|1,0,1]=4 2028 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|1,0,1]=4 2029 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|1,0,1]=4 2030 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,2,0,0,0,0|0,0,2]=4 2031 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,2,0,0,0,0|0,0,2]=4 2032 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,2,0,0,0,0|0,0,2]=4 2033 B11R0.42 CCCCCNNC(=O)C(=O)N 22a_100000694160_100011215815 [0,2,0,0,0,0|2,0,0]=4 2034 B11R0.42 CCCCCNNC(=O)C(O)O 22a_100000694160_100000233687 [0,2,0,0,0,0|2,0,0]=4 2035 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,2,0,0,0,0|2,0,0]=4 2036 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,2,0,0,0,0|2,0,0]=4 2037 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|1,0,1]=4 2038 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,2,0,0,0,0|1,0,1]=4 2039 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,2,0,0,0,0|1,0,1]=4 2040 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,2,0,0,0,0|1,0,1]=4 2041 B11R0.42 CCCOCCNC(=O)C(=O)N 240690a_100161115042_100011215815 [0,2,0,0,0,0|2,0,0]=4 2042 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,2,0,0,0,0|1,0,1]=4 2043 B11R0.42 CCCSCCNC(=O)C(=O)N 240690a_100020603323_100011215815 [0,2,0,0,0,0|2,0,0]=4 2044 B11R0.42 CCOCCCNC(=O)C(=O)N 240690a_100000210961_100011215815 [0,2,0,0,0,0|2,0,0]=4 2045 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,2,0,0,0,0|1,0,1]=4 2046 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,2,0,0,0,0|1,0,1]=4 2047 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,2,0,0,0,0|1,0,1]=4 2048 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,2,0,0,0,0|1,0,1]=4 2049 B11R0.42 NC(=O)C(=O)NCCCCCO 240690a_100000762737_100011215815 [0,2,0,0,0,0|2,0,0]=4 2050 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,2,0,0,0,0|2,0,0]=4 2051 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,2,0,0,0,0|2,0,0]=4 2052 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,2,0,0,0,0|2,0,0]=4 2053 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,2,0,0,0,0|1,0,1]=4 2054 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|1,0,1]=4 2055 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,2,0,0,0,0|1,0,1]=4 2056 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|1,0,1]=4 2057 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|1,0,1]=4 2058 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 2059 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 2060 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 2061 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,2,0,0,0,0|2,0,0]=4 2062 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,2,0,0,0,0|2,0,0]=4 2063 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,2,0,0,0,0|0,0,2]=4 2064 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [0,2,0,0,0,0|1,0,1]=4 2065 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [0,2,0,0,0,0|1,0,1]=4 2066 B11R0.111 C=C(C)COC/C=C/C(=O)OC 34a_100000210245_100000742655 [0,2,0,0,0,0|1,0,1]=4 2067 B11R0.111 C=C(C)CSC/C=C/C(=O)OC 62a_100000742655_100000211660 [0,2,0,0,0,0|1,0,1]=4 2068 B11R0.111 C=C(C)CSC/C=C/C(=O)OC 62a_100000748629_100000742655 [0,2,0,0,0,0|1,0,1]=4 2069 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|0,0,2]=4 2070 B11R0.111 CCC(C)CNC/C=C/B(O)O 2230a_100020588543_100016262062 [0,2,0,0,0,0|1,0,1]=4 2071 B11R0.111 CCC(C)CSC/C=C/B(O)O 62a_100000748023_100016262062 [0,2,0,0,0,0|1,0,1]=4 2072 B11R0.111 CCC(C)CSC/C=C/B(O)O 62a_100016262062_100000748023 [0,2,0,0,0,0|1,0,1]=4 2073 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [0,2,0,0,0,0|1,0,1]=4 2074 B11R0.111 CCC(O)CNC/C=C/B(O)O 2230a_100011218483_100016262062 [0,2,0,0,0,0|1,0,1]=4 2075 B11R0.111 CCC(O)CSC/C=C/B(O)O 62a_100011218378_100016262062 [0,2,0,0,0,0|1,0,1]=4 2076 B11R0.111 CCC(O)CSC/C=C/B(O)O 62a_100016262062_100011218378 [0,2,0,0,0,0|1,0,1]=4 2077 B11R0.111 CCN(C)CCC/C=C/B(O)O 2230a_100000225621_200016261450 [0,2,0,0,0,0|1,0,1]=4 2078 B11R0.111 CCN(C)CCC/C=C/B(O)O 269982a_100000225621_200016261450 [0,2,0,0,0,0|1,0,1]=4 2079 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [0,2,0,0,0,0|1,0,1]=4 2080 B11R0.111 CC[C@H](C)COC/C=C/B(O)O 7a_100009816381_100016262062 [0,2,0,0,0,0|1,0,1]=4 2081 B11R0.111 CC[C@H](C)CSC/C=C/B(O)O 62a_100009816398_100016262062 [0,2,0,0,0,0|1,0,1]=4 2082 B11R0.111 CC[C@H](C)CSC/C=C/B(O)O 62a_100016262062_100009816398 [0,2,0,0,0,0|1,0,1]=4 2083 B11R0.111 COC(=O)/C=C/CNCC(C)C 2230a_100000210953_100000742655 [0,2,0,0,0,0|1,0,0]=3 2084 B11R0.111 COC(=O)/C=C/CNCC(C)C 34a_100000210953_100000742655 [0,2,0,0,0,0|1,0,0]=3 2085 B11R0.111 COC(=O)/C=C/CNCC(C)O 2230a_100000210904_100000742655 [0,2,0,0,0,0|1,0,0]=3 2086 B11R0.111 COC(=O)/C=C/CNCC(C)O 34a_100000210904_100000742655 [0,2,0,0,0,0|1,0,0]=3 2087 B11R0.111 COC(=O)/C=C/CNCC(F)F 34a_100000765723_100000742655 [0,2,0,0,0,0|2,0,0]=4 2088 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [0,2,0,0,0,0|1,0,1]=4 2089 B11R0.111 COC(=O)/C=C/COCC(C)Br 34a_100012180447_100000742655 [0,2,0,0,0,0|1,0,0]=3 2090 B11R0.111 COC(=O)/C=C/COCC(C)C 34a_100000210257_100000742655 [0,2,0,0,0,0|1,0,0]=3 2091 B11R0.111 COC(=O)/C=C/COCC(C)F 34a_100015925927_100000742655 [0,2,0,0,0,0|1,0,0]=3 2092 B11R0.111 COC(=O)/C=C/COCC(F)F 34a_100000743014_100000742655 [0,2,0,0,0,0|2,0,0]=4 2093 B11R0.111 COC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100000742655 [0,2,0,0,0,0|1,0,0]=3 2094 B11R0.111 COC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100000742655 [0,2,0,0,0,0|1,0,0]=3 2095 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000210624_100000742655 [0,2,0,0,0,0|1,0,0]=3 2096 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000742655_100000210760 [0,2,0,0,0,0|1,0,0]=3 2097 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100000742655_100011218427 [0,2,0,0,0,0|1,0,0]=3 2098 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100011218427_100000742655 [0,2,0,0,0,0|1,0,0]=3 2099 B11R0.111 COC(=O)/C=C/CSCC(F)F 62a_100000742655_100011934356 [0,2,0,0,0,0|2,0,0]=4 2100 B11R0.111 COC(=O)/C=C/CSCC(F)F 62a_100011934356_100000742655 [0,2,0,0,0,0|2,0,0]=4 2101 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100000742655_100009817552 [0,2,0,0,0,0|1,0,0]=3 2102 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100000742655 [0,2,0,0,0,0|1,0,0]=3 2103 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,2,0,0,0,0|1,0,1]=4 2104 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,2,0,0,0,0|1,0,1]=4 2105 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,2,0,0,0,0|1,0,1]=4 2106 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,2,0,0,0,0|1,0,1]=4 2107 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,2,0,0,0,0|1,0,1]=4 2108 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,2,0,0,0,0|1,0,1]=4 2109 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,2,0,0,0,0|1,0,1]=4 2110 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,2,0,0,0,0|1,0,1]=4 2111 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,2,0,0,0,0|1,0,1]=4 2112 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,2,0,0,0,0|1,0,1]=4 2113 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|1,0,0]=3 2114 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|1,0,0]=3 2115 B11R0.148 CCCCC=CC=NNC(=O)C 4a_100000189765_100016268198 [0,2,0,0,0,0|1,0,1]=4 2116 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|1,0,0]=3 2117 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|1,0,0]=3 2118 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,2,0,0,0,0|1,0,1]=4 2119 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,2,0,0,0,0|1,0,0]=3 2120 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,2,0,0,0,0|1,0,0]=3 2121 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|0,0,2]=4 2122 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,2,0,0,0,0|0,0,2]=4 2123 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [0,2,0,0,0,0|1,0,1]=4 2124 B11R0.148 CCCCCNN=CC=C(C)C 4a_100000694160_100011215525 [0,2,0,0,0,0|2,0,0]=4 2125 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [0,2,0,0,0,0|1,0,1]=4 2126 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [0,2,0,0,0,0|1,0,1]=4 2127 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [0,2,0,0,0,0|1,0,1]=4 2128 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [0,2,0,0,0,0|1,0,1]=4 2129 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,2,0,0,0,0|0,0,2]=4 2130 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,2,0,0,0,0|0,0,2]=4 2131 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,2,0,0,0,0|1,0,1]=4 2132 B11R0.148 CCCOCCC/C=C/B(O)O 34a_100000210258_200016261450 [0,2,0,0,0,0|1,0,1]=4 2133 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,2,0,0,0,0|1,0,1]=4 2134 B11R0.148 CCCSCCC/C=C/B(O)O 62a_100000210303_200016261450 [0,2,0,0,0,0|1,0,1]=4 2135 B11R0.148 CCCSCCC/C=C/B(O)O 62a_200016261450_100000210303 [0,2,0,0,0,0|1,0,1]=4 2136 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,2,0,0,0,0|1,0,1]=4 2137 B11R0.148 CCOCCNC/C=C/B(O)O 2230a_102516460346_100016262062 [0,2,0,0,0,0|1,0,1]=4 2138 B11R0.148 CCOCCNC/C=C/B(O)O 34a_102516460346_100016262062 [0,2,0,0,0,0|1,0,1]=4 2139 B11R0.148 CCOCCOC/C=C/B(O)O 34a_100000210136_100016262062 [0,2,0,0,0,0|1,0,1]=4 2140 B11R0.148 CCOCCOC/C=C/B(O)O 7a_100000210136_100016262062 [0,2,0,0,0,0|1,0,1]=4 2141 B11R0.148 CCOCCSC/C=C/B(O)O 62a_100000210147_100016262062 [0,2,0,0,0,0|1,0,1]=4 2142 B11R0.148 CCOCCSC/C=C/B(O)O 62a_100016262062_100011215890 [0,2,0,0,0,0|1,0,1]=4 2143 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,2,0,0,0,0|1,0,1]=4 2144 B11R0.148 CCSCCNC/C=C/B(O)O 2230a_100000106463_100016262062 [0,2,0,0,0,0|1,0,1]=4 2145 B11R0.148 CCSCCOC/C=C/B(O)O 34a_100000212035_100016262062 [0,2,0,0,0,0|1,0,1]=4 2146 B11R0.148 CCSCCOC/C=C/B(O)O 7a_100000212035_100016262062 [0,2,0,0,0,0|1,0,1]=4 2147 B11R0.148 CCSCCSC/C=C/B(O)O 62a_100000757381_100016262062 [0,2,0,0,0,0|1,0,1]=4 2148 B11R0.148 CCSCCSC/C=C/B(O)O 62a_100016262062_100000757381 [0,2,0,0,0,0|1,0,1]=4 2149 B11R0.148 CNCCCOC/C=C/B(O)O 34a_100000213112_100016262062 [0,2,0,0,0,0|1,0,1]=4 2150 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,2,0,0,0,0|1,0,1]=4 2151 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,2,0,0,0,0|1,0,1]=4 2152 B11R0.148 COCCCNC/C=C/B(O)O 34a_100150723488_100016262062 [0,2,0,0,0,0|1,0,1]=4 2153 B11R0.148 COCCCOC/C=C/B(O)O 34a_100000740835_100016262062 [0,2,0,0,0,0|1,0,1]=4 2154 B11R0.148 COCCCSC/C=C/B(O)O 62a_100000709357_100016262062 [0,2,0,0,0,0|1,0,1]=4 2155 B11R0.148 COCCCSC/C=C/B(O)O 62a_100016262062_100000709357 [0,2,0,0,0,0|1,0,1]=4 2156 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,2,0,0,0,0|1,0,1]=4 2157 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,2,0,0,0,0|1,0,1]=4 2158 B11R0.148 COCSCCC/C=C/B(O)O 62a_100000766300_200016261450 [0,2,0,0,0,0|1,0,1]=4 2159 B11R0.148 COCSCCC/C=C/B(O)O 62a_200016261450_100000766300 [0,2,0,0,0,0|1,0,1]=4 2160 B11R0.148 CSCCCNC/C=C/B(O)O 2230a_100000749238_100016262062 [0,2,0,0,0,0|1,0,1]=4 2161 B11R0.148 CSCCCOC/C=C/B(O)O 34a_100000690336_100016262062 [0,2,0,0,0,0|1,0,1]=4 2162 B11R0.148 CSCCCOC/C=C/B(O)O 7a_100000690336_100016262062 [0,2,0,0,0,0|1,0,1]=4 2163 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,2,0,0,0,0|1,0,1]=4 2164 B11R0.148 CSCSCCC/C=C/B(O)O 62a_100011218213_200016261450 [0,2,0,0,0,0|1,0,1]=4 2165 B11R0.148 CSCSCCC/C=C/B(O)O 62a_200016261450_100011218213 [0,2,0,0,0,0|1,0,1]=4 2166 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,2,0,0,0,0|1,0,1]=4 2167 B11R0.148 NCCCCOC/C=C/B(O)O 34a_100000750430_100016262062 [0,2,0,0,0,0|1,0,1]=4 2168 B11R0.148 NCCOCCC/C=C/B(O)O 34a_100000210304_200016261450 [0,2,0,0,0,0|1,0,1]=4 2169 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,2,0,0,0,0|0,0,2]=4 2170 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,2,0,0,0,0|0,0,2]=4 2171 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,2,0,0,0,0|1,0,1]=4 2172 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,2,0,0,0,0|1,0,1]=4 2173 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,2,0,0,0,0|1,0,1]=4 2174 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,2,0,0,0,0|1,0,1]=4 2175 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,2,0,0,0,0|1,0,1]=4 2176 B11R0.148 OB(O)/C=C/CCCNCCF 34a_100000724931_200016261450 [0,2,0,0,0,0|1,0,1]=4 2177 B11R0.148 OB(O)/C=C/CCCOCCBr 34a_100000211926_200016261450 [0,2,0,0,0,0|1,0,1]=4 2178 B11R0.148 OB(O)/C=C/CCCSCCF 62a_100011217306_200016261450 [0,2,0,0,0,0|1,0,1]=4 2179 B11R0.148 OB(O)/C=C/CCCSCCF 62a_200016261450_100011217306 [0,2,0,0,0,0|1,0,1]=4 2180 B11R0.148 OB(O)/C=C/COCCCCBr 34a_100011216708_100016262062 [0,2,0,0,0,0|1,0,1]=4 2181 B11R0.148 OB(O)/C=C/COCCCCCl 34a_100000210776_100016262062 [0,2,0,0,0,0|1,0,1]=4 2182 B11R0.148 OB(O)/C=C/COCCCCCl 7a_100000210776_100016262062 [0,2,0,0,0,0|1,0,1]=4 2183 B11R0.148 OB(O)/C=C/COCCCCF 34a_100011995726_100016262062 [0,2,0,0,0,0|1,0,1]=4 2184 B11R0.148 OB(O)/C=C/COCCCCF 7a_100011995726_100016262062 [0,2,0,0,0,0|1,0,1]=4 2185 B11R0.148 OB(O)/C=C/COCCCCI 34a_200012148704_100016262062 [0,2,0,0,0,0|1,0,1]=4 2186 B11R0.148 OB(O)/C=C/CSCCCCF 62a_100000729493_100016262062 [0,2,0,0,0,0|1,0,1]=4 2187 B11R0.148 OB(O)/C=C/CSCCCCF 62a_100016262062_100000729493 [0,2,0,0,0,0|1,0,1]=4 2188 B11R0.148 OCCCCNC/C=C/B(O)O 2230a_100000750430_100016262062 [0,2,0,0,0,0|1,0,1]=4 2189 B11R0.148 OCCCCNC/C=C/B(O)O 34a_100000750430_100016262062 [0,2,0,0,0,0|1,0,1]=4 2190 B11R0.148 OCCCCSC/C=C/B(O)O 62a_100000210776_100016262062 [0,2,0,0,0,0|1,0,1]=4 2191 B11R0.148 OCCCCSC/C=C/B(O)O 62a_100016262062_100000210776 [0,2,0,0,0,0|1,0,1]=4 2192 B11R0.148 OCCNCCC/C=C/B(O)O 2230a_100016997473_200016261450 [0,2,0,0,0,0|1,0,1]=4 2193 B11R0.148 OCCNCCC/C=C/B(O)O 34a_100016990907_200016261450 [0,2,0,0,0,0|1,0,1]=4 2194 B11R0.148 OCCSCCC/C=C/B(O)O 62a_100000211926_200016261450 [0,2,0,0,0,0|1,0,1]=4 2195 B11R0.148 OCCSCCC/C=C/B(O)O 62a_200016261450_100000211926 [0,2,0,0,0,0|1,0,1]=4 2196 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,2,0,0,0,0|1,0,1]=4 2197 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,2,0,0,0,0|1,0,1]=4 2198 B11R0.176 CCCC(C)NC/C=C/B(O)O 2230a_100000741246_100016262062 [0,2,0,0,0,0|1,0,1]=4 2199 B11R0.176 CCCC(C)OC/C=C/B(O)O 34a_100000764384_100016262062 [0,2,0,0,0,0|1,0,1]=4 2200 B11R0.176 CCCC(C)OC/C=C/B(O)O 7a_100000764384_100016262062 [0,2,0,0,0,0|1,0,1]=4 2201 B11R0.176 CCCC(C)SC/C=C/B(O)O 62a_100000766640_100016262062 [0,2,0,0,0,0|1,0,1]=4 2202 B11R0.176 CCCC(C)SC/C=C/B(O)O 62a_100016262062_100000766640 [0,2,0,0,0,0|1,0,1]=4 2203 B11R0.68 CCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011215066 [0,2,0,0,0,0|2,0,0]=4 2204 B11R0.68 CCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011215066 [0,2,0,0,0,0|2,0,0]=4 2205 B11R0.68 CCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011215066 [0,2,0,0,0,0|2,0,0]=4 2206 B11R0.68 CCCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_200011215066 [0,2,0,0,0,0|2,0,0]=4 2207 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [0,2,0,0,0,0|1,0,1]=4 2208 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [0,2,0,0,0,0|1,0,1]=4 2209 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [0,2,0,0,0,0|0,0,2]=4 2210 B11R0.68 CCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011215066 [0,2,0,0,0,0|1,0,1]=4 2211 B11R0.68 CCCCC(O)C(=O)CC(=O)N 1458a_100000720857_100000187820 [0,2,0,0,0,0|1,0,1]=4 2212 B11R0.68 CCCCC(O)C(=O)CC(=O)[O-] 1458a_100000720857_100020667443 [0,2,0,0,0,0|0,0,2]=4 2213 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,2,0,0,0,0|1,0,1]=4 2214 B11R0.107 CCC(C)CCC(=O)CC(=O)N 1458a_100000701222_100000187820 [0,2,0,0,0,0|1,0,1]=4 2215 B11R0.107 CCC(C)CCC(=O)CC(=O)[O-] 1458a_100000701222_100020667443 [0,2,0,0,0,0|0,0,2]=4 2216 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [0,2,0,0,0,0|1,0,1]=4 2217 B11R0.139 CCCCCC(=O)C(C)C(=O)N 1458a_100000212188_100000702099 [0,2,0,0,0,0|1,0,1]=4 2218 B11R0.139 CCCCCC(=O)C(F)C(=O)N 1458a_100000212188_100009813875 [0,2,0,0,0,0|1,0,1]=4 2219 B11R0.139 CCCCCC(=O)C(F)C(=O)[O-] 1458a_100000212188_100020610796 [0,2,0,0,0,0|0,0,2]=4 2220 B11R0.139 CCCCCN(C)C(=O)C(=O)N 240690a_100000223495_100011215815 [0,2,0,0,0,0|2,0,0]=4 2221 B11R0.139 CCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210326 [0,2,0,0,0,0|1,0,1]=4 2222 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,2,0,0,0,0|1,0,1]=4 2223 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,2,0,0,0,0|1,0,1]=4 2224 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,2,0,0,0,0|2,0,0]=4 2225 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,2,0,0,0,0|1,0,1]=4 2226 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,2,0,0,0,0|1,0,1]=4 2227 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|0,0,1]=3 2228 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,2,0,0,0,0|1,0,1]=4 2229 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,2,0,0,0,0|0,0,1]=3 2230 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,2,0,0,0,0|0,0,1]=3 2231 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,2,0,0,0,0|1,0,1]=4 2232 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,2,0,0,0,0|1,0,1]=4 2233 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,2,0,0,0,0|1,0,1]=4 2234 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,2,0,0,0,0|1,0,1]=4 2235 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,2,0,0,0,0|1,0,1]=4 2236 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [0,2,0,0,0,0|1,0,1]=4 2237 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,2,0,0,0,0|1,0,1]=4 2238 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,2,0,0,0,0|1,0,1]=4 2239 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [0,2,0,0,0,0|1,0,1]=4 2240 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [0,2,0,0,0,0|1,0,1]=4 2241 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [0,2,0,0,0,0|1,0,1]=4 2242 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [0,2,0,0,0,0|1,0,1]=4 2243 B11R0.154 CCCSCC(=O)NC(=O)OC 62a_100000210303_100000010850 [0,2,0,0,0,0|2,0,0]=4 2244 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [0,2,0,0,0,0|1,0,1]=4 2245 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [0,2,0,0,0,0|1,0,1]=4 2246 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [0,2,0,0,0,0|1,0,1]=4 2247 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [0,2,0,0,0,0|1,0,1]=4 2248 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [0,2,0,0,0,0|1,0,1]=4 2249 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,2,0,0,0,0|1,0,1]=4 2250 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,2,0,0,0,0|1,0,1]=4 2251 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [0,2,0,0,0,0|1,0,1]=4 2252 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [0,2,0,0,0,0|1,0,1]=4 2253 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [0,2,0,0,0,0|1,0,1]=4 2254 B11R0.31 CC(C)(O)CCCNCC(=O)O 269956a_100016091260_100009888830 [0,2,0,0,0,0|1,0,1]=4 2255 B11R0.29 CC(C)CCCNC(=O)C(=O)N 240690a_200000737386_100011215815 [0,2,0,0,0,0|2,0,0]=4 2256 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011214892 [0,2,0,0,0,0|1,0,1]=4 2257 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_200000718107 [0,2,0,0,0,0|1,0,1]=4 2258 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,2,0,0,0,0|1,0,1]=4 2259 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,2,0,0,0,0|1,0,1]=4 2260 B11R0.106 CCC(C)NC/C=C/C(=O)OC 2230a_100000209981_100000742655 [0,2,0,0,0,0|1,0,0]=3 2261 B11R0.106 CCC(C)OC/C=C/C(=O)OC 7a_100000210228_100000742655 [0,2,0,0,0,0|1,0,0]=3 2262 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000758301 [0,2,0,0,0,0|1,0,0]=3 2263 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000758301_100000742655 [0,2,0,0,0,0|1,0,0]=3 2264 B11R0.106 CCC(O)CNN=CC(=O)OC 4a_100015206393_200011823558 [0,2,0,0,0,0|2,0,0]=4 2265 B11R0.106 COC(=O)/C=C/CN[C@H](C)CO 2230a_100000737577_100000742655 [0,2,0,0,0,0|2,0,0]=4 2266 B11R0.106 COC(=O)/C=C/COC(C)CF 34a_100016041109_100000742655 [0,2,0,0,0,0|2,0,0]=4 2267 B11R0.106 COC(=O)/C=C/COC(C)CF 7a_100016041109_100000742655 [0,2,0,0,0,0|2,0,0]=4 2268 B11R0.106 COC(=O)/C=C/COC(C)CN 34a_100000210904_100000742655 [0,2,0,0,0,0|2,0,0]=4 2269 B11R0.106 COC(=O)/C=C/CSC(C)CO 62a_100012180447_100000742655 [0,2,0,0,0,0|2,0,0]=4 2270 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100000742655_100009879195 [0,2,0,0,0,0|2,0,0]=4 2271 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100009879195_100000742655 [0,2,0,0,0,0|2,0,0]=4 2272 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100000742655_100016084084 [0,2,0,0,0,0|2,0,0]=4 2273 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100016084084_100000742655 [0,2,0,0,0,0|2,0,0]=4 2274 B11R0.109 CCC(C)CCNC(=O)C(=O)N 240690a_100020591266_100011215815 [0,2,0,0,0,0|2,0,0]=4 2275 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,2,0,0,0,0|1,0,0]=3 2276 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,2,0,0,0,0|1,0,0]=3 2277 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,2,0,0,0,0|1,0,1]=4 2278 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,2,0,0,0,0|1,0,1]=4 2279 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,2,0,0,0,0|1,0,1]=4 2280 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,2,0,0,0,0|1,0,1]=4 2281 B11R0.4 CCC/C=C/C=CC(=O)CCO 1458a_200016258893_100000211926 [0,2,0,0,0,0|0,0,2]=4 2282 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|0,0,2]=4 2283 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,2,0,0,0,0|0,0,2]=4 2284 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,2,0,0,0,0|1,0,0]=3 2285 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,2,0,0,0,0|1,0,0]=3 2286 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,2,0,0,0,0|1,0,0]=3 2287 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|0,0,0]=2 2288 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,2,0,0,0,0|1,0,0]=3 2289 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,2,0,0,0,0|1,0,0]=3 2290 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,2,0,0,0,0|1,0,0]=3 2291 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,2]=4 2292 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,2]=4 2293 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,2]=4 2294 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|1,0,1]=4 2295 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 2296 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 2297 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 2298 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|1,0,1]=4 2299 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|1,0,1]=4 2300 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|1,0,1]=4 2301 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|1,0,1]=4 2302 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,2,0,0,0,0|2,0,0]=4 2303 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,2,0,0,0,0|2,0,0]=4 2304 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 2305 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 2306 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|1,0,1]=4 2307 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|1,0,1]=4 2308 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|1,0,1]=4 2309 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|1,0,1]=4 2310 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|1,0,1]=4 2311 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|1,0,1]=4 2312 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,2,0,0,0,0|2,0,0]=4 2313 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,2,0,0,0,0|1,0,0]=3 2314 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,2,0,0,0,0|1,0,0]=3 2315 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,2,0,0,0,0|1,0,0]=3 2316 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,2,0,0,0,0|2,0,0]=4 2317 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,2,0,0,0,0|2,0,0]=4 2318 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,2,0,0,0,0|2,0,0]=4 2319 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,2,0,0,0,0|2,0,0]=4 2320 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,2,0,0,0,0|2,0,0]=4 2321 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,2,0,0,0,0|2,0,0]=4 2322 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,2,0,0,0,0|2,0,0]=4 2323 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,2,0,0,0,0|2,0,0]=4 2324 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,2,0,0,0,0|2,0,0]=4 2325 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,2,0,0,0,0|2,0,0]=4 2326 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,2,0,0,0,0|2,0,0]=4 2327 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,2,0,0,0,0|2,0,0]=4 2328 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,2,0,0,0,0|2,0,0]=4 2329 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [0,2,0,0,0,0|1,0,1]=4 2330 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,2,0,0,0,0|1,0,1]=4 2331 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,2,0,0,0,0|1,0,1]=4 2332 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,2,0,0,0,0|1,0,1]=4 2333 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,2,0,0,0,0|1,0,1]=4 2334 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,2,0,0,0,0|1,0,1]=4 2335 B11R0.70 CCCNC(=O)C=CC(=O)OC 1626a_100020643023_100016283253 [0,2,0,0,0,0|1,0,1]=4 2336 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,2,0,0,0,0|1,0,1]=4 2337 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,2,0,0,0,0|1,0,1]=4 2338 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,2,0,0,0,0|1,0,1]=4 2339 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,2,0,0,0,0|1,0,1]=4 2340 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|0,0,2]=4 2341 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,2,0,0,0,0|1,0,1]=4 2342 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,2,0,0,0,0|1,0,1]=4 2343 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,2,0,0,0,0|2,0,0]=4 2344 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,2,0,0,0,0|2,0,0]=4 2345 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,2,0,0,0,0|2,0,0]=4 2346 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,2,0,0,0,0|1,0,0]=3 2347 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,2,0,0,0,0|1,0,0]=3 2348 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,2,0,0,0,0|1,0,0]=3 2349 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,2,0,0,0,0|1,0,0]=3 2350 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|1,0,1]=4 2351 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|1,0,1]=4 2352 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|1,0,1]=4 2353 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|1,0,1]=4 2354 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|1,0,1]=4 2355 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|1,0,1]=4 2356 B11R0.142 CCCCNN=C(C)C(=O)OC 4a_100025702795_100000211753 [0,2,0,0,0,0|2,0,0]=4 2357 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,2,0,0,0,0|1,0,1]=4 2358 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,2,0,0,0,0|1,0,1]=4 2359 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,2,0,0,0,0|1,0,1]=4 2360 B11R0.142 CCOCCNC(=O)C(=O)OC 11a_100011200944_100000024059 [0,2,0,0,0,0|2,0,0]=4 2361 B11R0.142 CCOCCNC(=O)C(=O)OC 1626a_102516460346_100000024059 [0,2,0,0,0,0|2,0,0]=4 2362 B11R0.142 CCOCCNC(=O)C(=O)OC 240690a_100011200944_100000024059 [0,2,0,0,0,0|2,0,0]=4 2363 B11R0.142 CCOCCNC(=O)C(=O)OC 527a_100011200944_100000024059 [0,2,0,0,0,0|2,0,0]=4 2364 B11R0.142 CCSCCNC(=O)C(=O)OC 11a_100000106463_100000024059 [0,2,0,0,0,0|2,0,0]=4 2365 B11R0.142 CCSCCNC(=O)C(=O)OC 1626a_100000106463_100000024059 [0,2,0,0,0,0|2,0,0]=4 2366 B11R0.142 CCSCCNC(=O)C(=O)OC 240690a_100000106463_100000024059 [0,2,0,0,0,0|2,0,0]=4 2367 B11R0.142 CCSCCNC(=O)C(=O)OC 527a_100000106463_100000024059 [0,2,0,0,0,0|2,0,0]=4 2368 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [0,2,0,0,0,0|2,0,0]=4 2369 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [0,2,0,0,0,0|2,0,0]=4 2370 B11R0.142 COC(=O)C(=O)NCCCSC 11a_100000749238_100000024059 [0,2,0,0,0,0|2,0,0]=4 2371 B11R0.142 COC(=O)C(=O)NCCCSC 1626a_100000749238_100000024059 [0,2,0,0,0,0|2,0,0]=4 2372 B11R0.142 COC(=O)C(=O)NCCCSC 240690a_100000749238_100000024059 [0,2,0,0,0,0|2,0,0]=4 2373 B11R0.142 COC(=O)C(=O)NCCCSC 527a_100000749238_100000024059 [0,2,0,0,0,0|2,0,0]=4 2374 B11R0.142 COCCCNC(=O)C(=O)OC 1626a_100150723488_100000024059 [0,2,0,0,0,0|2,0,0]=4 2375 B11R0.142 COCCCNC(=O)C(=O)OC 240690a_100150723488_100000024059 [0,2,0,0,0,0|2,0,0]=4 2376 B11R0.142 COCCCNC(=O)C(=O)OC 527a_100150723488_100000024059 [0,2,0,0,0,0|2,0,0]=4 2377 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 269956a_100016992060_100000210326 [0,2,0,0,0,0|1,0,1]=4 2378 B11R0.76 CCCCCNC(CO)C(=O)O 269956a_100000187304_100000210326 [0,2,0,0,0,0|1,0,1]=4 2379 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|1,0,1]=4 2380 B11R0.163 CCCCC(C)NC(=O)C(=O)N 240690a_100000126638_100011215815 [0,2,0,0,0,0|2,0,0]=4 2381 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,2,0,0,0,0|1,0,1]=4 2382 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [0,2,0,0,0,0|1,0,1]=4 2383 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,2,0,0,0,0|1,0,1]=4 2384 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [1,0,0,1,0,0|1,0,1]=4 2385 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [1,0,0,1,0,0|1,0,1]=4 2386 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,1,0,0|0,0,1]=3 2387 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,1,0,0|0,1,1]=4 2388 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,1,0,0|1,0,1]=4 2389 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,0,0,1,0,0|1,0,1]=4 2390 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,0,0,1,0,0|1,0,1]=4 2391 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,0,0,1,0,0|1,0,1]=4 2392 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,0,0,1,0,0|1,0,1]=4 2393 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,0,0,1,0,0|1,0,1]=4 2394 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,0,0,1,0,0|1,0,1]=4 2395 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,0,0,1,0,0|1,0,1]=4 2396 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,1,0,0|1,0,1]=4 2397 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,1,0,0|1,0,1]=4 2398 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,1,0,0|1,0,1]=4 2399 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,1,0,0|1,0,1]=4 2400 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,1,0,0|1,0,1]=4 2401 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,1,0,0|1,0,1]=4 2402 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,1,0,0|1,0,1]=4 2403 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,1,0,0|1,0,1]=4 2404 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,1,0,0|1,0,1]=4 2405 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,1,0,0|1,0,1]=4 2406 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,1,0,0|1,0,1]=4 2407 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [1,0,0,1,0,0|1,0,1]=4 2408 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [1,0,0,1,0,0|1,0,1]=4 2409 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [1,0,0,1,0,0|1,0,1]=4 2410 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [1,0,0,1,0,0|1,0,1]=4 2411 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [1,0,0,1,0,0|1,0,1]=4 2412 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [1,0,0,1,0,0|1,0,1]=4 2413 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [1,0,0,1,0,0|1,0,1]=4 2414 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [1,0,0,1,0,0|1,0,1]=4 2415 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [1,0,0,1,0,0|1,0,1]=4 2416 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [1,0,0,1,0,0|1,0,1]=4 2417 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [1,0,0,1,0,0|1,0,1]=4 2418 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [1,0,0,1,0,0|1,0,1]=4 2419 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [1,0,0,1,0,0|1,0,1]=4 2420 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [1,0,0,1,0,0|1,0,1]=4 2421 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [1,0,0,1,0,0|1,0,1]=4 2422 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [1,0,0,1,0,0|1,0,1]=4 2423 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [1,0,0,1,0,0|1,0,1]=4 2424 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|1,0,0]=3 2425 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,1,0,0|2,0,0]=4 2426 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,1,0,0|2,0,0]=4 2427 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,1]=4 2428 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,1]=4 2429 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|1,0,0]=3 2430 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,1,0,0|2,0,0]=4 2431 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,1,0,0|2,0,0]=4 2432 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,1]=4 2433 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,0,0,1,0,0|0,1,1]=4 2434 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [1,0,0,1,0,0|2,0,0]=4 2435 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [1,0,0,1,0,0|2,0,0]=4 2436 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [1,0,0,1,0,0|2,0,0]=4 2437 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 2438 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [1,0,0,1,0,0|2,0,0]=4 2439 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [1,0,0,1,0,0|2,0,0]=4 2440 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [1,0,0,1,0,0|2,0,0]=4 2441 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [1,0,0,1,0,0|2,0,0]=4 2442 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [1,0,0,1,0,0|2,0,0]=4 2443 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [1,0,0,1,0,0|2,0,0]=4 2444 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [1,0,0,1,0,0|2,0,0]=4 2445 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [1,0,0,1,0,0|2,0,0]=4 2446 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [1,0,0,1,0,0|2,0,0]=4 2447 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [1,0,0,1,0,0|2,0,0]=4 2448 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [1,0,0,1,0,0|2,0,0]=4 2449 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [1,0,0,1,0,0|2,0,0]=4 2450 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [1,0,0,1,0,0|2,0,0]=4 2451 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [1,0,0,1,0,0|2,0,0]=4 2452 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [1,0,0,1,0,0|2,0,0]=4 2453 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,0,0,1,0,0|1,0,0]=3 2454 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|1,0,1]=4 2455 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|1,0,1]=4 2456 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 2457 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 2458 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 2459 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|2,0,0]=4 2460 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,0,0,1,0,0|1,0,0]=3 2461 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|1,0,1]=4 2462 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,1]=4 2463 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|2,0,0]=4 2464 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|2,0,0]=4 2465 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 2466 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 2467 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|2,0,0]=4 2468 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,1]=4 2469 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,1]=4 2470 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,1]=4 2471 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 2472 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 2473 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|2,0,0]=4 2474 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|2,0,0]=4 2475 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [1,0,0,1,0,0|1,0,1]=4 2476 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|2,0,0]=4 2477 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|2,0,0]=4 2478 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|2,0,0]=4 2479 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|1,0,1]=4 2480 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,1]=4 2481 B11R1.90 CC(=O)NN=C1CCCC1C 4a_100000189765_100000752053 [0,1,0,1,0,0|2,0,0]=4 2482 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,1,0,1,0,0|1,0,1]=4 2483 B11R1.172 CC(=O)NN=CC1CCCC1 4a_100000189765_100000746403 [0,1,0,1,0,0|2,0,0]=4 2484 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,1,0,1,0,0|0,0,2]=4 2485 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,1,0,1,0,0|1,0,1]=4 2486 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [0,1,0,1,0,0|1,0,1]=4 2487 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [0,1,0,1,0,0|1,0,1]=4 2488 B11R1.172 OB(O)/C=C/CN1CCCC1 2230a_100000188435_100016262062 [0,1,0,1,0,0|1,0,1]=4 2489 B11R1.172 OB(O)/C=C/CN1CCCC1 269982a_100000188435_100016262062 [0,1,0,1,0,0|1,0,1]=4 2490 B11R1.924 CC1(CCC1)CNCC(=O)O 269956a_100016091260_100000726658 [0,1,0,1,0,0|1,0,1]=4 2491 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,1,0,0|1,0,1]=4 2492 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,1,0,0|1,0,1]=4 2493 B11R1.24 CCCCc1cc[nH]c(=O)n1 271570a_100020621405_200000134032 [0,1,0,1,0,0|1,0,1]=4 2494 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,1,0,0|1,0,1]=4 2495 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,1,0,0|1,0,1]=4 2496 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,1,0,0|1,0,1]=4 2497 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,1,0,0|1,0,1]=4 2498 B11R1.24 CCCCc1cncc(n1)O 271570a_100020621405_100011269956 [0,1,0,1,0,0|1,0,1]=4 2499 B11R1.24 CCCCc1nccc(n1)O 271570a_100020621405_100011649813 [0,1,0,1,0,0|1,0,1]=4 2500 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,1,0,1,0,0|2,0,0]=4 2501 B11R1.27 CCCCCc1noc(n1)C 270196a_200011207956_100000070787 [0,1,0,1,0,0|2,0,0]=4 2502 B11R1.27 CCCCCc1noc(n1)O 270196a_200011207956_100015183105 [0,1,0,1,0,0|1,0,1]=4 2503 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,1,0,0|1,0,1]=4 2504 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,1,0,0|1,0,1]=4 2505 B11R1.27 CCCCSc1cc(on1)C 62a_100000210211_100000716708 [0,1,0,1,0,0|2,0,0]=4 2506 B11R1.27 CCCCSc1cc(on1)C 62a_100000716708_100000210210 [0,1,0,1,0,0|2,0,0]=4 2507 B11R1.27 CCCNCc1cc(co1)Br 270004a_100020643023_100000747035 [0,1,0,1,0,0|2,0,0]=4 2508 B11R1.27 CCCNCc1cc(no1)Br 2230a_100015193020_100000210303 [0,1,0,1,0,0|2,0,0]=4 2509 B11R1.27 CCCNCc1cc(no1)Br 270004a_100020643023_100009819588 [0,1,0,1,0,0|2,0,0]=4 2510 B11R1.27 CCCNCc1cc(no1)Br 34a_100015193020_100000210303 [0,1,0,1,0,0|2,0,0]=4 2511 B11R1.27 CCCNCc1cc(no1)C 207a_100020643023_100011794430 [0,1,0,1,0,0|2,0,0]=4 2512 B11R1.27 CCCNCc1cc(no1)C 2230a_100000745748_100000210303 [0,1,0,1,0,0|2,0,0]=4 2513 B11R1.27 CCCNCc1cc(no1)C 270004a_100020643023_100011794430 [0,1,0,1,0,0|2,0,0]=4 2514 B11R1.27 CCCNCc1cc(no1)C 34a_100000745748_100000210303 [0,1,0,1,0,0|2,0,0]=4 2515 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [0,1,0,1,0,0|2,0,0]=4 2516 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [0,1,0,1,0,0|2,0,0]=4 2517 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [0,1,0,1,0,0|2,0,0]=4 2518 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [0,1,0,1,0,0|2,0,0]=4 2519 B11R1.27 CCCNCc1ccc(o1)Br 207a_100020643023_100000185145 [0,1,0,1,0,0|1,0,1]=4 2520 B11R1.27 CCCNCc1ccc(o1)Br 270004a_100020643023_100000185145 [0,1,0,1,0,0|1,0,1]=4 2521 B11R1.27 CCCNCc1ccc(o1)Br 34a_100000708654_100000210303 [0,1,0,1,0,0|1,0,1]=4 2522 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,1,0,1,0,0|1,0,1]=4 2523 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,1,0,1,0,0|1,0,1]=4 2524 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,1,0,1,0,0|1,0,1]=4 2525 B11R1.27 CCCNCc1ccc(o1)Cl 207a_100020643023_100000188459 [0,1,0,1,0,0|1,0,1]=4 2526 B11R1.27 CCCNCc1ccc(o1)Cl 270004a_100020643023_100000188459 [0,1,0,1,0,0|1,0,1]=4 2527 B11R1.27 CCCNCc1ccc(o1)I 207a_100020643023_100000186757 [0,1,0,1,0,0|1,0,1]=4 2528 B11R1.27 CCCNCc1cnc(o1)C 207a_100020643023_100000084308 [0,1,0,1,0,0|2,0,0]=4 2529 B11R1.27 CCCNCc1cnc(o1)C 270004a_100020643023_100000084308 [0,1,0,1,0,0|2,0,0]=4 2530 B11R1.27 CCCNCc1ncc(o1)C 2230a_100138411809_100000210303 [0,1,0,1,0,0|2,0,0]=4 2531 B11R1.27 CCCNCc1ncc(o1)C 34a_100138411809_100000210303 [0,1,0,1,0,0|2,0,0]=4 2532 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,1,0,1,0,0|1,0,0]=3 2533 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|1,0,1]=4 2534 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|1,0,1]=4 2535 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|1,0,1]=4 2536 B11R1.27 CCCOCc1cc(no1)Br 34a_100009816691_100000210303 [0,1,0,1,0,0|2,0,0]=4 2537 B11R1.27 CCCOCc1cc(no1)C 34a_100000210258_100000707947 [0,1,0,1,0,0|2,0,0]=4 2538 B11R1.27 CCCOCc1cc(no1)C 34a_100000684692_100000210303 [0,1,0,1,0,0|2,0,0]=4 2539 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [0,1,0,1,0,0|2,0,0]=4 2540 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [0,1,0,1,0,0|2,0,0]=4 2541 B11R1.27 CCCOCc1ccc(o1)Br 34a_100000246276_100000210303 [0,1,0,1,0,0|1,0,1]=4 2542 B11R1.27 CCCOCc1ccc(o1)Br 7a_100000246276_100000210303 [0,1,0,1,0,0|1,0,1]=4 2543 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,1,0,1,0,0|1,0,1]=4 2544 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,1,0,1,0,0|1,0,1]=4 2545 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,1,0,1,0,0|1,0,0]=3 2546 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,1,0,1,0,0|1,0,0]=3 2547 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|1,0,1]=4 2548 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|1,0,1]=4 2549 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|1,0,1]=4 2550 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|1,0,1]=4 2551 B11R1.27 CCCSCc1cc(no1)Br 62a_100000210303_100000709089 [0,1,0,1,0,0|2,0,0]=4 2552 B11R1.27 CCCSCc1cc(no1)Br 62a_100000709089_100000210303 [0,1,0,1,0,0|2,0,0]=4 2553 B11R1.27 CCCSCc1cc(no1)C 62a_100000210303_100000707947 [0,1,0,1,0,0|2,0,0]=4 2554 B11R1.27 CCCSCc1cc(no1)C 62a_100000707947_100000210303 [0,1,0,1,0,0|2,0,0]=4 2555 B11R1.27 CCCSCc1cc(on1)C 62a_100000199038_100000210303 [0,1,0,1,0,0|2,0,0]=4 2556 B11R1.27 CCCSCc1cc(on1)C 62a_100000210303_100000199038 [0,1,0,1,0,0|2,0,0]=4 2557 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,1,0,1,0,0|1,0,1]=4 2558 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,1,0,1,0,0|1,0,1]=4 2559 B11R1.27 CCOCCc1cc(no1)Br 34a_100009816916_100000210202 [0,1,0,1,0,0|2,0,0]=4 2560 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,1,0,1,0,0|1,0,1]=4 2561 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,1,0,1,0,0|1,0,1]=4 2562 B11R1.27 COCSCC1=CC(=O)OC1 62a_100000716558_100000766300 [0,1,0,1,0,0|2,0,0]=4 2563 B11R1.27 COCSCC1=CC(=O)OC1 62a_100000766300_100000716558 [0,1,0,1,0,0|2,0,0]=4 2564 B11R1.27 CSCSCC1=CC(=O)OC1 62a_100000716558_100011218213 [0,1,0,1,0,0|2,0,0]=4 2565 B11R1.27 CSCSCC1=CC(=O)OC1 62a_100011218213_100000716558 [0,1,0,1,0,0|2,0,0]=4 2566 B11R1.27 NCCOCC1=CC(=O)OC1 34a_100000210304_100000716558 [0,1,0,1,0,0|2,0,0]=4 2567 B11R1.27 O=C1C=C(CO1)CNCCF 34a_100000724931_100000716558 [0,1,0,1,0,0|2,0,0]=4 2568 B11R1.27 O=C1C=C(CO1)CNCCO 34a_100016990907_100000716558 [0,1,0,1,0,0|2,0,0]=4 2569 B11R1.27 O=C1C=C(CO1)COCCBr 34a_100000211926_100000716558 [0,1,0,1,0,0|2,0,0]=4 2570 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100000716558_100011217306 [0,1,0,1,0,0|2,0,0]=4 2571 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100011217306_100000716558 [0,1,0,1,0,0|2,0,0]=4 2572 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000211926_100000716558 [0,1,0,1,0,0|2,0,0]=4 2573 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000716558_100000211926 [0,1,0,1,0,0|2,0,0]=4 2574 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|0,0,2]=4 2575 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|0,0,2]=4 2576 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|0,0,2]=4 2577 B11R1.91 CC(=O)C=CC1=CCCCC1 1458a_100016289660_200000210301 [0,1,0,1,0,0|1,0,1]=4 2578 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,1,0,1,0,0|1,0,0]=3 2579 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,1,0,1,0,0|2,0,0]=4 2580 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,1,0,1,0,0|0,0,2]=4 2581 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,1,0,1,0,0|1,0,1]=4 2582 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,1,0,1,0,0|1,0,1]=4 2583 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,1,0,1,0,0|1,0,1]=4 2584 B11R1.91 [13CH3]C(=O)C=CC1=CCCCC1 1458a_100016289660_200025704644 [0,1,0,1,0,0|1,0,1]=4 2585 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,1,0,1,0,0|1,0,0]=3 2586 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 2587 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|0,0,2]=4 2588 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|0,0,2]=4 2589 B11R1.161 CC1CCN1C/C=C/B(O)O 269982a_100000755817_100016262062 [0,1,0,1,0,0|1,0,1]=4 2590 B11R1.161 CC1CCN1C/C=C/B(O)O 34a_100000755817_100016262062 [0,1,0,1,0,0|1,0,1]=4 2591 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [0,1,0,1,0,0|1,0,1]=4 2592 B11R1.174 OB(O)/C=C/CNC1CCC1 2230a_100000749019_100016262062 [0,1,0,1,0,0|1,0,1]=4 2593 B11R1.174 OB(O)/C=C/CNC1CCC1 34a_100000749019_100016262062 [0,1,0,1,0,0|1,0,1]=4 2594 B11R1.174 OB(O)/C=C/COC1CCC1 34a_100000748187_100016262062 [0,1,0,1,0,0|1,0,1]=4 2595 B11R1.174 OB(O)/C=C/CSC1CCC1 62a_100016262062_100000749161 [0,1,0,1,0,0|1,0,1]=4 2596 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,1,0,1,0,0|1,0,1]=4 2597 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [0,1,0,1,0,0|1,0,1]=4 2598 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [0,1,0,1,0,0|1,0,1]=4 2599 B11R1.176 OB(O)/C=C/CNCC1CC1 2230a_100000735609_100016262062 [0,1,0,1,0,0|1,0,1]=4 2600 B11R1.176 OB(O)/C=C/CNCC1CC1 34a_100000735609_100016262062 [0,1,0,1,0,0|1,0,1]=4 2601 B11R1.176 OB(O)/C=C/COCC1CC1 34a_100000211283_100016262062 [0,1,0,1,0,0|1,0,1]=4 2602 B11R1.176 OB(O)/C=C/CSCC1CC1 62a_100000756562_100016262062 [0,1,0,1,0,0|1,0,1]=4 2603 B11R1.176 OB(O)/C=C/CSCC1CC1 62a_100016262062_100000742324 [0,1,0,1,0,0|1,0,1]=4 2604 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,1,0,1,0,0|1,0,0]=3 2605 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|0,0,2]=4 2606 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,1,0,1,0,0|1,0,1]=4 2607 B11R1.193 COCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000766300 [0,1,0,1,0,0|2,0,0]=4 2608 B11R1.193 CSCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218213 [0,1,0,1,0,0|2,0,0]=4 2609 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 269956a_100000057196_100011217306 [0,1,0,1,0,0|2,0,0]=4 2610 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO 269956a_100000057196_100000211926 [0,1,0,1,0,0|2,0,0]=4 2611 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,1,0,1,0,0|0,0,2]=4 2612 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,1,0,1,0,0|1,0,0]=3 2613 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,1,0,1,0,0|1,0,0]=3 2614 B11R1.77 CC(=CC(=O)C1CCCC1)C 1458a_100000211388_100000179811 [0,1,0,1,0,0|2,0,0]=4 2615 B11R1.77 CC(=CC(=O)C1CCCC1)Cl 1458a_200042562850_100000179811 [0,1,0,1,0,0|2,0,0]=4 2616 B11R1.77 CC(=CC(=O)C1CCCC1)I 1458a_100025716642_100000179811 [0,1,0,1,0,0|2,0,0]=4 2617 B11R1.77 CN(CC(=O)O)C1CCCC1 269956a_100000746989_100000179811 [0,1,0,1,0,0|1,0,1]=4 2618 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000187820 [0,1,0,1,0,0|1,0,1]=4 2619 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100134613110_100000179811 [0,1,0,1,0,0|1,0,1]=4 2620 B11R1.77 O=C(C=C(Cl)Cl)C1CCCC1 1458a_100000137448_100000179811 [0,1,0,1,0,0|2,0,0]=4 2621 B11R1.77 O=C([O-])CC(=O)C1CCCC1 1458a_100000210718_100020667443 [0,1,0,1,0,0|0,0,2]=4 2622 B11R1.257 CCC1CC1C(=O)CC(=O)N 1458a_200011661523_100000187820 [0,1,0,1,0,0|1,0,1]=4 2623 B11R1.257 CCC1CC1C(=O)CC(=O)[O-] 1458a_200011661523_100020667443 [0,1,0,1,0,0|0,0,2]=4 2624 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,1,0,1,0,0|2,0,0]=4 2625 B11R1.484 CC(=CC(=O)CC1CCC1)Cl 1458a_200042562850_100000763275 [0,1,0,1,0,0|2,0,0]=4 2626 B11R1.484 CC(=CC(=O)CC1CCC1)I 1458a_100025716642_100000763275 [0,1,0,1,0,0|2,0,0]=4 2627 B11R1.484 CN(CC(=O)O)CC1CCC1 269956a_100000746989_100000763275 [0,1,0,1,0,0|1,0,1]=4 2628 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000187820 [0,1,0,1,0,0|1,0,1]=4 2629 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100134613110_100000763275 [0,1,0,1,0,0|1,0,1]=4 2630 B11R1.484 O=C(C=C(Cl)Cl)CC1CCC1 1458a_100000137448_100000763275 [0,1,0,1,0,0|2,0,0]=4 2631 B11R1.484 O=C([O-])CC(=O)CC1CCC1 1458a_100000763092_100020667443 [0,1,0,1,0,0|0,0,2]=4 2632 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,1,0,1,0,0|2,0,0]=4 2633 B11R1.485 CC(=CC(=O)CCC1CC1)Cl 1458a_200042562850_100000694398 [0,1,0,1,0,0|2,0,0]=4 2634 B11R1.485 CC(=CC(=O)CCC1CC1)I 1458a_100025716642_100000694398 [0,1,0,1,0,0|2,0,0]=4 2635 B11R1.485 CN(CCC1CC1)CC(=O)O 269956a_100000746989_100000694398 [0,1,0,1,0,0|1,0,1]=4 2636 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000187820 [0,1,0,1,0,0|1,0,1]=4 2637 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100134613110_100000694398 [0,1,0,1,0,0|1,0,1]=4 2638 B11R1.485 O=C(C=C(Cl)Cl)CCC1CC1 1458a_100000137448_100000694398 [0,1,0,1,0,0|2,0,0]=4 2639 B11R1.485 O=C([O-])CC(=O)CCC1CC1 1458a_100000756386_100020667443 [0,1,0,1,0,0|0,0,2]=4 2640 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,1,0,1,0,0|1,0,0]=3 2641 B11R1.20 CC(=O)C=C1CCN(CC1)C 1458a_100000699038_200000210301 [0,1,0,1,0,0|2,0,0]=4 2642 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,1,0,1,0,0|1,0,0]=3 2643 B11R1.20 CN1CCC(=CC(=O)[13CH3])CC1 1458a_100000699038_200025704644 [0,1,0,1,0,0|2,0,0]=4 2644 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,1,0,1,0,0|1,0,1]=4 2645 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,1,0,1,0,0|1,0,1]=4 2646 B11R1.237 COC(=O)/C=C/CNC1CC1 34a_100000212008_100000742655 [0,1,0,1,0,0|1,0,0]=3 2647 B11R1.237 COC(=O)/C=C/CSC1CC1 62a_100000742655_100000211595 [0,1,0,1,0,0|1,0,0]=3 2648 B11R1.237 COC(=O)C=NNCC1CC1 4a_100000736359_200011823558 [0,1,0,1,0,0|2,0,0]=4 2649 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,1,0,1,0,0|1,0,1]=4 2650 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,1,0,1,0,0|1,0,1]=4 2651 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,1,0,1,0,0|1,0,1]=4 2652 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,1,0,1,0,0|1,0,1]=4 2653 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,1,0,1,0,0|1,0,1]=4 2654 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,1,0,0|1,0,1]=4 2655 B11R1.1 CCCCc1ccc(=O)[nH]n1 271570a_100020621405_100009820020 [0,1,0,1,0,0|1,0,1]=4 2656 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,1,0,0|1,0,1]=4 2657 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,1,0,0|1,0,1]=4 2658 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,1,0,0|1,0,1]=4 2659 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,1,0,1,0,0|1,0,1]=4 2660 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,1,0,1,0,0|1,0,1]=4 2661 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,1,0,1,0,0|1,0,1]=4 2662 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,1,0,1,0,0|1,0,1]=4 2663 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,1,0,1,0,0|1,0,1]=4 2664 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,1,0,1,0,0|1,0,1]=4 2665 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|0,0,2]=4 2666 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,1,0,0|1,0,1]=4 2667 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,1,0,0|1,0,1]=4 2668 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,1,0,1,0,0|2,0,0]=4 2669 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,1,0,1,0,0|1,0,0]=3 2670 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [0,1,0,1,0,0|2,0,0]=4 2671 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,1,0,1,0,0|1,0,0]=3 2672 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,1,0,1,0,0|1,0,0]=3 2673 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,1,0,1,0,0|1,0,0]=3 2674 B11R1.40 CNC(=O)C=C1CCOCC1 11a_106832991635_100000761426 [0,1,0,1,0,0|2,0,0]=4 2675 B11R1.40 CNC(=O)C=C1CCOCC1 240690a_100102657272_100000761426 [0,1,0,1,0,0|2,0,0]=4 2676 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,1,0,1,0,0|1,0,0]=3 2677 B11R1.40 O=C(C=C1CCOCC1)CF 1458a_100000761426_100015361967 [0,1,0,1,0,0|2,0,0]=4 2678 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|0,0,2]=4 2679 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,1,0,0|1,0,1]=4 2680 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,1,0,0|1,0,1]=4 2681 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|1,0,1]=4 2682 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|1,0,1]=4 2683 B11R1.214 CCCCc1ccc(o1)C#N 271570a_100020621405_100000764468 [0,1,0,1,0,0|1,0,1]=4 2684 B11R1.214 CCCCc1ccc(o1)C=O 271570a_100020621405_100000185145 [0,1,0,1,0,0|0,0,1]=3 2685 B11R1.214 CCCCc1ccc(o1)CN 271570a_100020621405_100000708654 [0,1,0,1,0,0|1,0,1]=4 2686 B11R1.214 CCCCc1ccc(o1)CO 271570a_100020621405_100000246276 [0,1,0,1,0,0|0,0,2]=4 2687 B11R1.214 CCCCc1ccc(s1)C=O 271570a_100020621405_100000179771 [0,1,0,1,0,0|0,1,1]=4 2688 B11R1.214 CCCCc1ccc(s1)CO 271570a_100020621405_100000246291 [0,1,0,1,0,0|0,1,1]=4 2689 B11R1.214 CCCSc1ccc(o1)C=O 62a_100000210303_100000186757 [0,1,0,1,0,0|1,0,1]=4 2690 B11R1.214 CCNCc1ccc(o1)C=O 2230a_100015525214_200000079136 [0,1,0,1,0,0|1,0,1]=4 2691 B11R1.214 CCOCc1ccc(o1)C=O 34a_100121572206_200000079136 [0,1,0,1,0,0|1,0,1]=4 2692 B11R1.214 CCSCc1ccc(o1)C=O 62a_100000210202_200000079136 [0,1,0,1,0,0|1,0,1]=4 2693 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,1,0,1,0,0|1,0,1]=4 2694 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,1,0,1,0,0|1,0,1]=4 2695 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,1,0,1,0,0|1,0,1]=4 2696 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,1,0,1,0,0|1,0,1]=4 2697 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,1,0,1,0,0|1,0,1]=4 2698 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,1,0,1,0,0|1,0,1]=4 2699 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,1,0,1,0,0|1,0,1]=4 2700 B11R1.236 COC(=O)/C=C/CN1CCC1 269982a_100000754969_100000742655 [0,1,0,1,0,0|1,0,0]=3 2701 B11R1.236 COC(=O)C=NNC1CCC1 4a_100000736358_200011823558 [0,1,0,1,0,0|2,0,0]=4 2702 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,1,0,1,0,0|1,0,1]=4 2703 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,1,0,1,0,0|1,0,1]=4 2704 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,1,0,1,0,0|1,0,1]=4 2705 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,1,0,1,0,0|1,0,1]=4 2706 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,1,0,1,0,0|1,0,1]=4 2707 B11R1.236 O=C(CO)NNCC1CCC1 22a_200020586977_100000210174 [0,1,0,1,0,0|2,0,0]=4 2708 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,2]=4 2709 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,1]=4 2710 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,1]=4 2711 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,1,0,1,0,0|1,0,1]=4 2712 B11R1.35 NC(=O)C(=O)NC1CCCC1 240690a_100000211070_100011215815 [0,1,0,1,0,0|2,0,0]=4 2713 B11R1.36 CC(=O)C(=O)N1CCCCC1 1458a_200011297168_200000210301 [0,1,0,1,0,0|2,0,0]=4 2714 B11R1.36 [13CH3]C(=O)C(=O)N1CCCCC1 1458a_200011297168_200025704644 [0,1,0,1,0,0|2,0,0]=4 2715 B11R1.89 C[C@@H]1CCCN1C(=O)C(=O)N 240690a_100015189458_100011215815 [0,1,0,1,0,0|2,0,0]=4 2716 B11R1.89 C[C@H]1CCCN1C(=O)C(=O)N 240690a_100020605311_100011215815 [0,1,0,1,0,0|2,0,0]=4 2717 B11R1.231 CC1=CC(OC1=O)NCCO 2230a_100016997473_200009893386 [0,1,0,1,0,0|2,0,0]=4 2718 B11R1.231 CC1=CC(OC1=O)SCCF 62a_100011217306_200009893386 [0,1,0,1,0,0|2,0,0]=4 2719 B11R1.231 CC1=CC(OC1=O)SCCF 62a_200009893386_100011217306 [0,1,0,1,0,0|2,0,0]=4 2720 B11R1.231 CC1=CC(OC1=O)SCCO 62a_100000211926_200009893386 [0,1,0,1,0,0|2,0,0]=4 2721 B11R1.231 CC1=CC(OC1=O)SCCO 62a_200009893386_100000211926 [0,1,0,1,0,0|2,0,0]=4 2722 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_100000210303_200009893386 [0,1,0,1,0,0|1,0,0]=3 2723 B11R1.231 CCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210303 [0,1,0,1,0,0|1,0,0]=3 2724 B11R1.231 COCSC1C=C(C(=O)O1)C 62a_100000766300_200009893386 [0,1,0,1,0,0|2,0,0]=4 2725 B11R1.231 COCSC1C=C(C(=O)O1)C 62a_200009893386_100000766300 [0,1,0,1,0,0|2,0,0]=4 2726 B11R1.231 CSCSC1C=C(C(=O)O1)C 62a_100011218213_200009893386 [0,1,0,1,0,0|2,0,0]=4 2727 B11R1.231 CSCSC1C=C(C(=O)O1)C 62a_200009893386_100011218213 [0,1,0,1,0,0|2,0,0]=4 2728 B11R1.332 C[C@H](NCC1CCC1)C(=O)O 269956a_100000743915_100000763275 [0,1,0,1,0,0|1,0,1]=4 2729 B11R1.332 NC(=O)C(=O)NCC1CCC1 240690a_100000738700_100011215815 [0,1,0,1,0,0|2,0,0]=4 2730 B11R1.333 C[C@H](NCCC1CC1)C(=O)O 269956a_100000743915_100000694398 [0,1,0,1,0,0|1,0,1]=4 2731 B11R1.333 NC(=O)C(=O)NCCC1CC1 240690a_100000764129_100011215815 [0,1,0,1,0,0|2,0,0]=4 2732 B11R2.10 Oc1cc2c(s1)CCCC2 271570a_203496583355_100010127270 [0,0,0,2,0,0|0,1,1]=4