0 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,0,0,0,0,0|1,0,3]=4 6 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.148 C#CCCCCNCOC(=O)C 34a_100000706060_100009813279 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,0,0,0,0,0|2,0,2]=4 11 B11R0.148 C#CCCCCOCOC(=O)C 34a_100000766709_100009813279 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 C#CCCCCSCOC(=O)C 62a_100000076356_100010269958 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.148 C#CCCCCSCOC(=O)C 62a_100010269958_100000076356 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 C#CCCCNCCNC(=O)C 2230a_100000209853_100000731252 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.148 C#CCCCNCCOC(=O)C 34a_100000718082_100009814007 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.148 C#CCCCNCCOC(=O)N 34a_100000718082_200011214921 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 C#CCCCOCCNC(=O)C 34a_100000158858_100000695029 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.148 C#CCCCOCCNC(=O)C 7a_100000215630_100000189650 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.148 C#CCCCOCCOC(=O)C 34a_100000215630_100009814007 [0,0,0,0,0,0|1,0,2]=3 27 B11R0.148 C#CCCCOCCOC(=O)C 7a_100000215630_100009814007 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.148 C#CCCCOCCOC(=O)N 34a_100000215630_200011214921 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 C#CCCCOCCOC(=O)N 7a_100000215630_200011214921 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 C#CCCCOCCOC(=O)N 7a_100000766696_100011215417 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 C#CCCCSCCNC(=O)C 62a_100000189650_100011215417 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 C#CCCCSCCNC(=O)C 62a_100011215417_100000189650 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 C#CCCCSCCOC(=O)C 62a_100009814007_100011215417 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.148 C#CCCCSCCOC(=O)C 62a_100011215417_100009814007 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.148 C#CCCCSCCOC(=O)N 62a_100011215417_200011214921 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C#CCCCSCCOC(=O)N 62a_200011214921_100011215417 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 C#CCCNCCCNC(=O)C 34a_100000736810_100000688953 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 C#CCCNCCCOC(=O)C 34a_100000755551_100000042594 [0,0,0,0,0,0|1,0,2]=3 42 B11R0.148 C#CCCNCCCOC(=S)C 34a_100000755551_200135323944 [0,0,0,0,0,0|1,1,2]=4 43 B11R0.148 C#CCCNCCCSC(=O)C 34a_100000755551_100000038929 [0,0,0,0,0,0|1,1,2]=4 44 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.148 C#CCCOCCCNC(=O)C 34a_100000752032_100000688953 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.148 C#CCCOCCCOC(=O)C 34a_100011215631_100000042594 [0,0,0,0,0,0|1,0,2]=3 47 B11R0.148 C#CCCOCCCOC(=S)C 34a_100011215631_200135323944 [0,0,0,0,0,0|1,1,2]=4 48 B11R0.148 C#CCCOCCCSC(=O)C 34a_100011215631_100000038929 [0,0,0,0,0,0|1,1,2]=4 49 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000042594_100000688953 [0,0,0,0,0,0|1,0,2]=3 52 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000688953_100000042594 [0,0,0,0,0,0|1,0,2]=3 53 B11R0.148 C#CCCSCCCOC(=S)C 62a_100000688953_200135323944 [0,0,0,0,0,0|1,1,2]=4 54 B11R0.148 C#CCCSCCCOC(=S)C 62a_200135323944_100000688953 [0,0,0,0,0,0|1,1,2]=4 55 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000038929_100000688953 [0,0,0,0,0,0|1,1,2]=4 56 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000688953_100000038929 [0,0,0,0,0,0|1,1,2]=4 57 B11R0.148 C#CCNCCCCNC(=O)C 2230a_200011368371_100000038162 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.148 C#CCNCCCCNC(=O)C 34a_200011368371_100000184674 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 C#CCNCCCCOC(=O)C 34a_100000212058_100000033659 [0,0,0,0,0,0|1,0,2]=3 60 B11R0.148 C#CCNCCCCSC(=O)C 34a_100000212058_200010402107 [0,0,0,0,0,0|1,1,2]=4 61 B11R0.148 C#CCNCOCCOC(=O)C 34a_100000212058_100000076355 [0,0,0,0,0,0|2,0,2]=4 62 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000073216_100000184674 [0,0,0,0,0,0|1,0,2]=3 63 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000210247_100000033659 [0,0,0,0,0,0|1,0,2]=3 64 B11R0.148 C#CCOCCCCOC(=O)C 7a_100000073216_100000038162 [0,0,0,0,0,0|1,0,2]=3 65 B11R0.148 C#CCOCCCCSC(=O)C 34a_100000210247_200010402107 [0,0,0,0,0,0|1,1,2]=4 66 B11R0.148 C#CCOCCNCOC(=O)C 34a_100000700922_100009813279 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.148 C#CCOCCOCOC(=O)C 34a_100000054580_100009813279 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.148 C#CCOCCSCOC(=O)C 62a_100000076356_100010402529 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.148 C#CCOCCSCOC(=O)C 62a_100010402529_100000076356 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.148 C#CCOCOCCOC(=O)C 34a_100000210247_100000076355 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.148 C#CCSCCCCOC(=O)C 62a_100000038162_100000033659 [0,0,0,0,0,0|1,0,2]=3 72 B11R0.148 C#CCSCCCCSC(=O)C 62a_100000038162_200010402107 [0,0,0,0,0,0|1,1,2]=4 73 B11R0.148 C#CCSCOCCOC(=O)C 62a_100000038162_100000076355 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,0,0,0,0,0|2,0,2]=4 75 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,0,0,0,0,0|1,0,2]=3 76 B11R0.148 C/C=C/CCOCCOC(=O)N 34a_100016278192_200011214921 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.148 C/C=C/CNCCCNC(=O)C 34a_100000736810_100102629194 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.148 C/C=C/COCCCNC(=O)C 34a_100000752032_100102629194 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.148 C/C=C/COCCCOC(=S)C 34a_100016270725_200135323944 [0,0,0,0,0,0|1,1,2]=4 82 B11R0.148 C/C=C/COCCCSC(=O)C 34a_100016270725_100000038929 [0,0,0,0,0,0|1,1,2]=4 83 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,0,0,0,0,0|1,0,2]=3 86 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,0,0,0,0,0|1,0,2]=3 87 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_100102629194_200135323944 [0,0,0,0,0,0|1,1,2]=4 88 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_200135323944_100102629194 [0,0,0,0,0,0|1,1,2]=4 89 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100000038929_100102629194 [0,0,0,0,0,0|1,1,2]=4 90 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100102629194_100000038929 [0,0,0,0,0,0|1,1,2]=4 91 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,0,0,0,0,0|3,0,0]=3 93 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,0,0,0,0,0|4,0,0]=4 97 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,0,0,0,0,0|4,0,0]=4 98 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,0,0,0,0,0|4,0,0]=4 99 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,0,0,0,0,0|4,0,0]=4 100 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,0,0,0,0,0|4,0,0]=4 101 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,0,0,0,0,0|4,0,0]=4 102 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,0,0,0,0,0|3,0,0]=3 103 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,0,0,0,0,0|3,0,0]=3 104 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,0,0,0,0,0|3,0,0]=3 105 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,0,0,0,0,0|4,0,0]=4 106 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,0,0,0,0,0|4,0,0]=4 107 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,0,0,0,0,0|4,0,0]=4 108 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,0,0,0,0,0|4,0,0]=4 109 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,0,0,0,0,0|4,0,0]=4 110 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,0,0,0,0,0|4,0,0]=4 111 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,0,0,0,0,0|4,0,0]=4 112 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,0,0,0,0,0|4,0,0]=4 113 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,0,0,0,0,0|4,0,0]=4 114 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,0,0,0,0,0|4,0,0]=4 115 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,0,0,0,0,0|4,0,0]=4 116 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,0,0,0,0,0|4,0,0]=4 117 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,0,0,0,0,0|4,0,0]=4 118 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,0,0,0,0,0|4,0,0]=4 120 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,0,0,0,0,0|4,0,0]=4 121 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,0,0,0,0,0|4,0,0]=4 122 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,0,0,0,0,0|4,0,0]=4 123 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,0,0,0,0,0|4,0,0]=4 124 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,0,0,0,0,0|4,0,0]=4 125 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,0,0,0,0,0|4,0,0]=4 126 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,0,0,0,0,0|4,0,0]=4 127 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,0,0,0,0,0|3,0,0]=3 128 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,0,0,0,0,0|3,0,0]=3 129 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,0,0,0,0,0|4,0,0]=4 130 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,0,0,0,0,0|4,0,0]=4 131 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,0,0,0,0,0|4,0,0]=4 132 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,0,0,0,0,0|4,0,0]=4 133 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,0,0,0,0,0|4,0,0]=4 135 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,0,0,0,0,0|4,0,0]=4 136 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,0,0,0,0,0|4,0,0]=4 137 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,0,0,0,0,0|4,0,0]=4 138 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,0,0,0,0,0|4,0,0]=4 139 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,0,0,0,0,0|4,0,0]=4 140 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,0,0,0,0,0|4,0,0]=4 141 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,0,0,0,0,0|3,0,0]=3 142 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,0,0,0,0,0|4,0,0]=4 143 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,0,0,0,0,0|4,0,0]=4 144 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,0,0,0,0,0|4,0,0]=4 145 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,0,0,0,0,0|4,0,0]=4 146 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,0,0,0,0,0|4,0,0]=4 147 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,0,0,0,0,0|4,0,0]=4 148 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,0,0,0,0,0|4,0,0]=4 149 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,0,0,0,0,0|4,0,0]=4 150 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,0,0,0,0,0|4,0,0]=4 151 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,0,0,0,0,0|3,0,0]=3 152 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,0,0,0,0,0|3,0,0]=3 153 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,0,0,0,0,0|3,0,0]=3 154 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,0,0,0,0,0|4,0,0]=4 155 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,0,0,0,0,0|4,0,0]=4 156 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,0,0,0,0,0|4,0,0]=4 157 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,0,0,0,0,0|4,0,0]=4 158 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,0,0,0,0,0|4,0,0]=4 159 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,0,0,0,0,0|4,0,0]=4 160 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,0,0,0,0,0|4,0,0]=4 161 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,0,0,0,0,0|4,0,0]=4 162 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,0,0,0,0,0|4,0,0]=4 163 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,0,0,0,0,0|4,0,0]=4 164 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,0,0,0,0,0|4,0,0]=4 165 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,0,0,0,0,0|4,0,0]=4 166 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,0,0,0,0,0|4,0,0]=4 167 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,0,0,0,0,0|3,0,0]=3 168 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,0,0,0,0,0|3,0,0]=3 169 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,0,0,0,0,0|4,0,0]=4 170 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,0,0,0,0,0|4,0,0]=4 171 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,0,0,0,0,0|4,0,0]=4 172 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,0,0,0,0,0|4,0,0]=4 173 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,0,0,0,0,0|4,0,0]=4 174 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,0,0,0,0,0|4,0,0]=4 175 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,0,0,0,0,0|1,0,2]=3 182 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,0,0,0,0,0|1,0,2]=3 183 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,0,0,0,0,0|1,0,2]=3 184 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,0,0,0,0,0|1,0,3]=4 185 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,0,0,0,0,0|1,0,3]=4 186 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,0,0,0,0,0|1,0,3]=4 187 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,0,0,0,0,0|2,0,2]=4 188 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [0,0,0,0,0,0|1,0,2]=3 189 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,0,0,0,0,0|2,0,2]=4 190 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [0,0,0,0,0,0|1,0,2]=3 193 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [0,0,0,0,0,0|1,0,2]=3 196 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [0,0,0,0,0,0|1,0,2]=3 197 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,0,0,0,0,0|2,0,2]=4 198 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [0,0,0,0,0,0|2,0,2]=4 199 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [0,0,0,0,0,0|2,0,2]=4 200 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,0,0,0,0,0|1,0,2]=3 201 B11R0.148 C=CCCCNCCOC(=O)N 34a_100000700776_200011214921 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,0,0,0,0,0|2,0,2]=4 204 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,0,0,0,0,0|2,0,2]=4 205 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,0,0,0,0,0|2,0,2]=4 206 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [0,0,0,0,0,0|2,0,2]=4 207 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,0,0,0,0,0|1,0,2]=3 209 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,0,0,0,0,0|1,0,2]=3 210 B11R0.148 C=CCCCOCCOC(=O)N 34a_100000758997_200011214921 [0,0,0,0,0,0|2,0,2]=4 211 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000758997_200011214921 [0,0,0,0,0,0|2,0,2]=4 212 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000766696_100000757094 [0,0,0,0,0,0|2,0,2]=4 213 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,0,0,0,0,0|2,0,2]=4 214 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [0,0,0,0,0,0|2,0,2]=4 216 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,0,0,0,0,0|1,0,2]=3 218 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,0,0,0,0,0|1,0,2]=3 219 B11R0.148 C=CCCCSCCOC(=O)N 62a_100011713584_200011214921 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.148 C=CCCCSCCOC(=O)N 62a_200011214921_100000757094 [0,0,0,0,0,0|2,0,2]=4 221 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.148 C=CCCNCCCOC(=S)C 2230a_100015191253_200135323944 [0,0,0,0,0,0|1,1,2]=4 223 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [0,0,0,0,0,0|1,1,2]=4 224 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,0,0,0,0,0|2,0,2]=4 225 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [0,0,0,0,0,0|1,0,2]=3 227 B11R0.148 C=CCCOCCCOC(=S)C 34a_100011205117_200135323944 [0,0,0,0,0,0|1,1,2]=4 228 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [0,0,0,0,0,0|1,1,2]=4 229 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,0,0,0,0,0|2,0,2]=4 230 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [0,0,0,0,0,0|1,0,2]=3 232 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [0,0,0,0,0,0|1,0,2]=3 233 B11R0.148 C=CCCSCCCOC(=S)C 62a_100000754431_200135323944 [0,0,0,0,0,0|1,1,2]=4 234 B11R0.148 C=CCCSCCCOC(=S)C 62a_200135323944_100000754431 [0,0,0,0,0,0|1,1,2]=4 235 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [0,0,0,0,0,0|1,1,2]=4 236 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [0,0,0,0,0,0|1,1,2]=4 237 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [0,0,0,0,0,0|2,0,2]=4 239 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [0,0,0,0,0,0|1,1,2]=4 240 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [0,0,0,0,0,0|1,0,2]=3 241 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [0,0,0,0,0,0|1,0,2]=3 242 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [0,0,0,0,0,0|1,0,2]=3 243 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [0,0,0,0,0,0|1,1,2]=4 244 B11R0.148 C=CCOCCOCOC(=O)C 34a_100000037705_100009813279 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.148 C=CCOCOCCOC(=O)C 34a_200000210373_100000076355 [0,0,0,0,0,0|2,0,2]=4 246 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [0,0,0,0,0,0|1,0,2]=3 247 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [0,0,0,0,0,0|1,0,2]=3 248 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [0,0,0,0,0,0|1,1,2]=4 249 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [0,0,0,0,0,0|1,1,2]=4 250 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000076355_100000210623 [0,0,0,0,0,0|2,0,2]=4 251 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000210623_100000076355 [0,0,0,0,0,0|2,0,2]=4 252 B11R0.148 C=COCCCNCOC(=O)C 34a_100000210767_100009813279 [0,0,0,0,0,0|2,0,2]=4 253 B11R0.148 C=COCCOCCOC(=O)C 34a_100000033082_100009814007 [0,0,0,0,0,0|2,0,2]=4 254 B11R0.148 C=COCCSCCOC(=O)C 62a_100000039644_100009814007 [0,0,0,0,0,0|2,0,2]=4 255 B11R0.148 C=COCCSCCOC(=O)C 62a_100009814007_100000039644 [0,0,0,0,0,0|2,0,2]=4 256 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,0,0,0,0,0|2,0,2]=4 257 B11R0.148 CC#CCCOCCOC(=O)C 34a_100000750427_100009814007 [0,0,0,0,0,0|1,0,2]=3 258 B11R0.148 CC#CCCOCCOC(=O)N 34a_100000750427_200011214921 [0,0,0,0,0,0|2,0,2]=4 259 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,0,0,0,0,0|2,0,2]=4 260 B11R0.148 CC#CCNCCCNC(=O)C 34a_100000736810_100000748600 [0,0,0,0,0,0|2,0,2]=4 261 B11R0.148 CC#CCNCCCOC(=O)C 34a_100000685387_100000042594 [0,0,0,0,0,0|1,0,2]=3 262 B11R0.148 CC#CCNCCCOC(=S)C 2230a_100000685387_200135323944 [0,0,0,0,0,0|1,1,2]=4 263 B11R0.148 CC#CCNCCCOC(=S)C 34a_100000685387_200135323944 [0,0,0,0,0,0|1,1,2]=4 264 B11R0.148 CC#CCNCCCSC(=O)C 2230a_100000685387_100000038929 [0,0,0,0,0,0|1,1,2]=4 265 B11R0.148 CC#CCNCCCSC(=O)C 34a_100000685387_100000038929 [0,0,0,0,0,0|1,1,2]=4 266 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,0,0,0,0,0|2,0,2]=4 267 B11R0.148 CC#CCOCCCNC(=O)C 34a_100000752032_100000748600 [0,0,0,0,0,0|2,0,2]=4 268 B11R0.148 CC#CCOCCCOC(=O)C 34a_100000761923_100000042594 [0,0,0,0,0,0|1,0,2]=3 269 B11R0.148 CC#CCOCCCOC(=S)C 34a_100000761923_200135323944 [0,0,0,0,0,0|1,1,2]=4 270 B11R0.148 CC#CCOCCCSC(=O)C 34a_100000761923_100000038929 [0,0,0,0,0,0|1,1,2]=4 271 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,0,0,0,0,0|2,0,2]=4 272 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,0,0,0,0,0|2,0,2]=4 273 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000042594_100000748600 [0,0,0,0,0,0|1,0,2]=3 274 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000748600_100000042594 [0,0,0,0,0,0|1,0,2]=3 275 B11R0.148 CC#CCSCCCOC(=S)C 62a_100000748600_200135323944 [0,0,0,0,0,0|1,1,2]=4 276 B11R0.148 CC#CCSCCCOC(=S)C 62a_200135323944_100000748600 [0,0,0,0,0,0|1,1,2]=4 277 B11R0.148 CC#CCSCCCSC(=O)C 62a_100000038929_100000748600 [0,0,0,0,0,0|1,1,2]=4 278 B11R0.148 CC#CCSCCCSC(=O)C 62a_100000748600_100000038929 [0,0,0,0,0,0|1,1,2]=4 279 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,0,0,0,0,0|4,0,0]=4 280 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,0,0,0,0,0|4,0,0]=4 281 B11R0.148 CC(=CCCOCCCCBr)C 34a_100011216708_100011217483 [0,0,0,0,0,0|4,0,0]=4 282 B11R0.148 CC(=CCCOCCCCCl)C 34a_100000210776_100011217483 [0,0,0,0,0,0|4,0,0]=4 283 B11R0.148 CC(=CCCOCCCCCl)C 7a_100000210776_100011217483 [0,0,0,0,0,0|4,0,0]=4 284 B11R0.148 CC(=CCCOCCCCF)C 34a_100011995726_100011217483 [0,0,0,0,0,0|4,0,0]=4 285 B11R0.148 CC(=CCCOCCCCF)C 7a_100011995726_100011217483 [0,0,0,0,0,0|4,0,0]=4 286 B11R0.148 CC(=CCCOCCCCI)C 34a_200012148704_100011217483 [0,0,0,0,0,0|4,0,0]=4 287 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [0,0,0,0,0,0|4,0,0]=4 288 B11R0.148 CC(=CCCSCCCCF)C 62a_100000729493_100011217483 [0,0,0,0,0,0|4,0,0]=4 289 B11R0.148 CC(=CCCSCCCCF)C 62a_100011217483_100000729493 [0,0,0,0,0,0|4,0,0]=4 290 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,0,0,0,0,0|4,0,0]=4 291 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,0,0,0,0,0|4,0,0]=4 292 B11R0.148 CC(=CCNCCCCCF)C 34a_100000718196_100000729378 [0,0,0,0,0,0|4,0,0]=4 293 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,0,0,0,0,0|4,0,0]=4 294 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,0,0,0,0,0|4,0,0]=4 295 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,0,0,0,0,0|4,0,0]=4 296 B11R0.148 CC(=CCOCCCCCBr)C 34a_100000746331_100000761012 [0,0,0,0,0,0|4,0,0]=4 297 B11R0.148 CC(=CCOCCCCCBr)C 7a_100000746331_100000761012 [0,0,0,0,0,0|4,0,0]=4 298 B11R0.148 CC(=CCOCCCCCCl)C 34a_100000746330_100000761012 [0,0,0,0,0,0|4,0,0]=4 299 B11R0.148 CC(=CCOCCCCCCl)C 7a_100000746330_100000761012 [0,0,0,0,0,0|4,0,0]=4 300 B11R0.148 CC(=CCOCCCCCF)C 34a_100000753907_100000729378 [0,0,0,0,0,0|4,0,0]=4 301 B11R0.148 CC(=CCOCCCCCI)C 34a_200012148887_100000761012 [0,0,0,0,0,0|4,0,0]=4 302 B11R0.148 CC(=CCOCCCCCI)C 7a_200012148887_100000761012 [0,0,0,0,0,0|4,0,0]=4 303 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [0,0,0,0,0,0|4,0,0]=4 304 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,0,0,0,0,0|4,0,0]=4 305 B11R0.148 CC(=CCSCCCCCF)C 62a_100000729378_100000761012 [0,0,0,0,0,0|4,0,0]=4 306 B11R0.148 CC(=CCSCCCCCF)C 62a_100000761012_100000729378 [0,0,0,0,0,0|4,0,0]=4 307 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,0,0,0,0,0|4,0,0]=4 308 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,0,0,0,0,0|4,0,0]=4 309 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,0,0,0,0,0|2,0,0]=2 310 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,0,0,0,0,0|3,0,0]=3 311 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,0,0,0,0,0|3,0,0]=3 312 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,0,0,0,0,0|3,0,0]=3 313 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,0,0,0,0,0|3,0,0]=3 314 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,0,0,0,0,0|3,0,0]=3 315 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,0,0,0,0,0|4,0,0]=4 316 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,0,0,0,0,0|3,0,1]=4 317 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,0,0,0,0,0|3,0,1]=4 318 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,0,0,0,0,0|3,0,0]=3 319 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,0,0,0,0,0|3,0,0]=3 320 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,0,0,0,0,0|3,0,0]=3 321 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,0,0,0,0,0|3,0,0]=3 322 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,0]=3 323 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,0,0,0,0,0|3,0,1]=4 324 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,0,0,0,0,0|3,0,0]=3 326 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,0,0,0,0,0|3,0,0]=3 327 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,0,0,0,0,0|3,0,0]=3 328 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,0,0,0,0,0|3,0,0]=3 329 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,0,0,0,0,0|3,0,0]=3 330 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,0,0,0,0,0|3,0,0]=3 331 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,0,0,0,0,0|3,0,0]=3 332 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,0,0,0,0,0|3,0,0]=3 333 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,0,0,0,0,0|3,0,0]=3 334 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,0,0,0,0,0|3,0,0]=3 335 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,0,0,0,0,0|3,0,0]=3 336 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,0,0,0,0,0|3,0,1]=4 337 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,0,0,0,0,0|3,0,1]=4 338 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,0,0,0,0,0|3,0,1]=4 339 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,0,0,0,0,0|3,0,1]=4 340 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,0,0,0,0,0|3,0,0]=3 341 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,0,0,0,0,0|3,0,0]=3 342 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,0,0,0,0,0|3,0,0]=3 343 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,0,0,0,0,0|3,0,0]=3 344 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,0,0,0,0,0|3,0,1]=4 345 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,0,0,0,0,0|3,0,1]=4 346 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,0,0,0,0,0|3,0,0]=3 347 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,0,0,0,0,0|3,0,0]=3 348 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,0,0,0,0,0|3,0,0]=3 349 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,0,0,0,0,0|3,0,0]=3 350 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,0,0,0,0,0|3,0,0]=3 351 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,0,0,0,0,0|3,0,0]=3 352 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,0,0,0,0,0|3,0,0]=3 353 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,0,0,0,0,0|4,0,0]=4 354 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,0,0,0,0,0|4,0,0]=4 355 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,0,0,0,0,0|4,0,0]=4 356 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,0,0,0,0,0|4,0,0]=4 357 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,0,0,0,0,0|4,0,0]=4 358 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,0,0,0,0,0|4,0,0]=4 359 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,0,0,0,0,0|4,0,0]=4 360 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,0,0,0,0,0|4,0,0]=4 361 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,0,0,0,0,0|3,0,1]=4 362 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,0,0,0,0,0|3,0,1]=4 363 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,0,0,0,0,0|3,0,1]=4 364 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,0,0,0,0,0|3,0,1]=4 365 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,0,0,0,0,0|3,0,0]=3 366 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,0,0,0,0,0|3,0,0]=3 367 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,0,0,0,0,0|3,0,0]=3 368 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,0,0,0,0,0|3,0,0]=3 369 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,0,0,0,0,0|4,0,0]=4 370 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,0,0,0,0,0|4,0,0]=4 371 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,0,0,0,0,0|3,0,0]=3 372 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,0,0,0,0,0|3,0,0]=3 373 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,0,0,0,0,0|2,0,0]=2 374 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,0,0,0,0,0|2,0,0]=2 375 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,0,0,0,0,0|2,0,0]=2 376 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,0,0,0,0,0|3,0,0]=3 377 B11R0.148 CC(=O)NCCCCNCC#N 2230a_200011368371_100011215382 [0,0,0,0,0,0|3,0,1]=4 378 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,0,0,0,0,0|3,0,1]=4 379 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,0,0,0,0,0|3,0,1]=4 380 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,0,0,0,0,0|3,0,0]=3 381 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,0,0,0,0,0|3,0,0]=3 382 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,0,0,0,0,0|3,0,0]=3 383 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,0,0,0,0,0|3,0,0]=3 384 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,0,0,0,0,0|3,0,0]=3 385 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,0,0,0,0,0|3,0,0]=3 386 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,0,0,0,0,0|3,0,0]=3 387 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,0,0,0,0,0|3,0,0]=3 388 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,0,0,0,0,0|3,0,0]=3 389 B11R0.148 CC(=O)NCCNCCCC#N 2230a_100000209853_100000687738 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,0,0,0,0,0|3,0,1]=4 391 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,0,0,0,0,0|3,0,0]=3 392 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,0,0,0,0,0|3,0,0]=3 393 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,0,0,0,0,0|3,0,0]=3 394 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,0,0,0,0,0|3,0,0]=3 395 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,0,0,0,0,0|3,0,0]=3 396 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,0,0,0,0,0|3,0,0]=3 397 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,0,0,0,0,0|3,0,0]=3 398 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000189650_100000687738 [0,0,0,0,0,0|3,0,1]=4 399 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000687738_100000189650 [0,0,0,0,0,0|3,0,1]=4 400 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,0,0,0,0,0|3,0,1]=4 401 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,0,0,0,0,0|3,0,1]=4 402 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,0,0,0,0,0|3,0,0]=3 403 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,0,0,0,0,0|3,0,0]=3 404 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,0,0,0,0,0|3,0,0]=3 405 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,0,0,0,0,0|3,0,0]=3 406 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,0,0,0,0,0|2,0,0]=2 407 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,0,0,0,0,0|2,0,0]=2 408 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,0,0,0,0,0|2,0,0]=2 409 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,0,0,0,0,0|2,0,0]=2 410 B11R0.148 CC(=O)OCCCCOCC#N 7a_100000073216_100011215382 [0,0,0,0,0,0|2,0,1]=3 411 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,0,0,0,0,0|2,0,1]=3 412 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,0,0,0,0,0|2,0,1]=3 413 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,0,0,0,0,0|2,0,0]=2 414 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,0,0,0,0,0|2,0,0]=2 415 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,0,0,0,0,0|2,0,0]=2 416 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,0,0,0,0,0|2,0,0]=2 417 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,0,0,0,0,0|2,0,0]=2 418 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,0,0,0,0,0|2,0,0]=2 419 B11R0.148 CC(=O)OCCCCSCC#N 62a_100000033659_100011215382 [0,0,0,0,0,0|2,0,1]=3 420 B11R0.148 CC(=O)OCCCCSCC#N 62a_100011215382_100000033659 [0,0,0,0,0,0|2,0,1]=3 421 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,0,0,0,0,0|2,0,1]=3 422 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,0,0,0,0,0|2,0,1]=3 423 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,0,0,0,0,0|2,0,0]=2 424 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,0,0,0,0,0|2,0,0]=2 425 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,0,0,0,0,0|2,0,0]=2 426 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,0,0,0,0,0|2,0,0]=2 427 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,0,0,0,0,0|2,0,0]=2 428 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,0,0,0,0,0|2,0,0]=2 429 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,0,0,0,0,0|2,0,0]=2 430 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,0,0,0,0,0|2,0,0]=2 431 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,0,0,0,0,0|2,0,0]=2 432 B11R0.148 CC(=O)OCCCOCCON 34a_100000700252_100000042594 [0,0,0,0,0,0|3,0,0]=3 433 B11R0.148 CC(=O)OCCCSCCC#N 62a_100000042594_100011215226 [0,0,0,0,0,0|2,0,1]=3 434 B11R0.148 CC(=O)OCCCSCCC#N 62a_100011215226_100000042594 [0,0,0,0,0,0|2,0,1]=3 435 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,0,0,0,0,0|2,0,0]=2 436 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,0,0,0,0,0|2,0,0]=2 437 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,0,0,0,0,0|2,0,0]=2 438 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,0,0,0,0,0|2,0,0]=2 439 B11R0.148 CC(=O)OCCCSCSC#N 62a_100000042594_100000211825 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.148 CC(=O)OCCCSCSC#N 62a_100000211825_100000042594 [0,0,0,0,0,0|3,0,1]=4 441 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,0,0,0,0,0|2,0,0]=2 442 B11R0.148 CC(=O)OCCOCC#CCCl 34a_200000047223_100009814007 [0,0,0,0,0,0|2,0,2]=4 443 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,0,0,0,0,0|2,0,0]=2 444 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,0,0,0,0,0|2,0,0]=2 445 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,0,0,0,0,0|2,0,0]=2 446 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,0,0,0,0,0|2,0,0]=2 447 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,0,0,0,0,0|2,0,0]=2 448 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,0,0,0,0,0|2,0,0]=2 449 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,0,0,0,0,0|2,0,0]=2 450 B11R0.148 CC(=O)OCCOCCSCF 62a_100015361967_200000083610 [0,0,0,0,0,0|3,0,0]=3 451 B11R0.148 CC(=O)OCCOCCSCF 62a_200000083610_100015361967 [0,0,0,0,0,0|3,0,0]=3 452 B11R0.148 CC(=O)OCCOCNCCF 34a_100000724931_100000076355 [0,0,0,0,0,0|3,0,0]=3 453 B11R0.148 CC(=O)OCCOCNCCO 34a_100016990907_100000076355 [0,0,0,0,0,0|3,0,0]=3 454 B11R0.148 CC(=O)OCCOCOCCBr 34a_100000211926_100000076355 [0,0,0,0,0,0|3,0,0]=3 455 B11R0.148 CC(=O)OCCOCOCCN 34a_100000210304_100000076355 [0,0,0,0,0,0|3,0,0]=3 456 B11R0.148 CC(=O)OCCOCSCC#N 62a_100000076355_100011215382 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.148 CC(=O)OCCOCSCC#N 62a_100011215382_100000076355 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.148 CC(=O)OCCOCSCC=O 62a_100000076355_200015260668 [0,0,0,0,0,0|3,0,1]=4 459 B11R0.148 CC(=O)OCCOCSCC=O 62a_200015260668_100000076355 [0,0,0,0,0,0|3,0,1]=4 460 B11R0.148 CC(=O)OCCOCSCCF 62a_100000076355_100011217306 [0,0,0,0,0,0|3,0,0]=3 461 B11R0.148 CC(=O)OCCOCSCCF 62a_100011217306_100000076355 [0,0,0,0,0,0|3,0,0]=3 462 B11R0.148 CC(=O)OCCOCSCCO 62a_100000076355_100000211926 [0,0,0,0,0,0|3,0,0]=3 463 B11R0.148 CC(=O)OCCOCSCCO 62a_100000211926_100000076355 [0,0,0,0,0,0|3,0,0]=3 464 B11R0.148 CC(=O)OCCSCC#CCO 62a_100009814007_200000047223 [0,0,0,0,0,0|2,0,2]=4 465 B11R0.148 CC(=O)OCCSCC#CCO 62a_200000047223_100009814007 [0,0,0,0,0,0|2,0,2]=4 466 B11R0.148 CC(=O)OCCSCCCC#N 62a_100000687738_100009814007 [0,0,0,0,0,0|2,0,1]=3 467 B11R0.148 CC(=O)OCCSCCCC#N 62a_100009814007_100000687738 [0,0,0,0,0,0|2,0,1]=3 468 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,0,0,0,0,0|2,0,1]=3 469 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,0,0,0,0,0|2,0,1]=3 470 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,0,0,0,0,0|2,0,0]=2 471 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,0,0,0,0,0|2,0,0]=2 472 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,0,0,0,0,0|2,0,0]=2 473 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,0,0,0,0,0|2,0,0]=2 474 B11R0.148 CC(=O)OCCSCCSC#N 62a_100000034367_100009814007 [0,0,0,0,0,0|3,0,1]=4 475 B11R0.148 CC(=O)OCCSCCSC#N 62a_100009814007_100000034367 [0,0,0,0,0,0|3,0,1]=4 476 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,0,0,0,0,0|2,0,0]=2 477 B11R0.148 CC(=O)OCNCCOCCO 34a_100000211614_100009813279 [0,0,0,0,0,0|3,0,0]=3 478 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,0,0,0,0,0|2,0,0]=2 479 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,0,0,0,0,0|2,0,0]=2 480 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,0,0,0,0,0|2,0,0]=2 481 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,0,0,0,0,0|2,0,0]=2 482 B11R0.148 CC(=O)OCOCCOCCBr 34a_100000692535_100009813279 [0,0,0,0,0,0|3,0,0]=3 483 B11R0.148 CC(=O)OCOCCOCCCl 34a_100011215305_100009813279 [0,0,0,0,0,0|3,0,0]=3 484 B11R0.148 CC(=O)OCOCCOCCF 34a_200015357709_100009813279 [0,0,0,0,0,0|3,0,0]=3 485 B11R0.148 CC(=O)OCOCCOCCI 34a_100012149058_100009813279 [0,0,0,0,0,0|3,0,0]=3 486 B11R0.148 CC(=O)OCOCCOCCN 34a_100000211614_100009813279 [0,0,0,0,0,0|3,0,0]=3 487 B11R0.148 CC(=O)OCSCCCCC#N 62a_100000076356_100000211819 [0,0,0,0,0,0|2,0,1]=3 488 B11R0.148 CC(=O)OCSCCCCC#N 62a_100011219923_100000076356 [0,0,0,0,0,0|2,0,1]=3 489 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,0,0,0,0,0|2,0,1]=3 490 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,0,0,0,0,0|2,0,1]=3 491 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,0,0,0,0,0|2,0,0]=2 492 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,0,0,0,0,0|2,0,0]=2 493 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,0,0,0,0,0|2,0,0]=2 494 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,0,0,0,0,0|2,0,0]=2 495 B11R0.148 CC(=O)OCSCCOCC#N 62a_100000076356_200000047693 [0,0,0,0,0,0|3,0,1]=4 496 B11R0.148 CC(=O)OCSCCOCC#N 62a_200000047693_100000076356 [0,0,0,0,0,0|3,0,1]=4 497 B11R0.148 CC(=O)OCSCCOCCO 62a_100000076356_100011215305 [0,0,0,0,0,0|3,0,0]=3 498 B11R0.148 CC(=O)OCSCCOCCO 62a_100011215305_100000076356 [0,0,0,0,0,0|3,0,0]=3 499 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,0,0,0,0,0|2,1,0]=3 500 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,0,0,0,0,0|2,1,0]=3 501 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,0,0,0,0,0|2,1,0]=3 502 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,0,0,0,0,0|2,1,0]=3 503 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,0,0,0,0,0|2,1,0]=3 504 B11R0.148 CC(=O)SCCCCSCC#N 62a_100011215382_200010402107 [0,0,0,0,0,0|2,1,1]=4 505 B11R0.148 CC(=O)SCCCCSCC#N 62a_200010402107_100011215382 [0,0,0,0,0,0|2,1,1]=4 506 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,0,0,0,0,0|2,1,1]=4 507 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,0,0,0,0,0|2,1,1]=4 508 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,0,0,0,0,0|2,1,0]=3 509 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,0,0,0,0,0|2,1,0]=3 510 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,0,0,0,0,0|2,1,0]=3 511 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,0,0,0,0,0|2,1,0]=3 512 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,0,0,0,0,0|2,1,0]=3 513 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,0,0,0,0,0|2,1,0]=3 514 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,0,0,0,0,0|2,1,0]=3 515 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,0,0,0,0,0|2,1,0]=3 516 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,0,0,0,0,0|2,1,0]=3 517 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,0,0,0,0,0|2,1,0]=3 518 B11R0.148 CC(=O)SCCCOCCON 34a_100000700252_100000038929 [0,0,0,0,0,0|3,1,0]=4 519 B11R0.148 CC(=O)SCCCSCCC#N 62a_100000038929_100011215226 [0,0,0,0,0,0|2,1,1]=4 520 B11R0.148 CC(=O)SCCCSCCC#N 62a_100011215226_100000038929 [0,0,0,0,0,0|2,1,1]=4 521 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,0,0,0,0,0|2,1,0]=3 522 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,0,0,0,0,0|2,1,0]=3 523 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,0,0,0,0,0|2,1,0]=3 524 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,0,0,0,0,0|2,1,0]=3 525 B11R0.148 CC(=S)OCCCNCCCF 2230a_100015189416_200135323944 [0,0,0,0,0,0|2,1,0]=3 526 B11R0.148 CC(=S)OCCCNCCCF 34a_100015189416_200135323944 [0,0,0,0,0,0|2,1,0]=3 527 B11R0.148 CC(=S)OCCCOCCCBr 34a_100011217188_200135323944 [0,0,0,0,0,0|2,1,0]=3 528 B11R0.148 CC(=S)OCCCOCCCCl 34a_100000230001_200135323944 [0,0,0,0,0,0|2,1,0]=3 529 B11R0.148 CC(=S)OCCCOCCCF 34a_100000759539_200135323944 [0,0,0,0,0,0|2,1,0]=3 530 B11R0.148 CC(=S)OCCCOCCCN 34a_100000182051_200135323944 [0,0,0,0,0,0|2,1,0]=3 531 B11R0.148 CC(=S)OCCCOCCON 34a_100000700252_200135323944 [0,0,0,0,0,0|3,1,0]=4 532 B11R0.148 CC(=S)OCCCSCCC#N 62a_100011215226_200135323944 [0,0,0,0,0,0|2,1,1]=4 533 B11R0.148 CC(=S)OCCCSCCC#N 62a_200135323944_100011215226 [0,0,0,0,0,0|2,1,1]=4 534 B11R0.148 CC(=S)OCCCSCCCF 62a_100011934791_200135323944 [0,0,0,0,0,0|2,1,0]=3 535 B11R0.148 CC(=S)OCCCSCCCF 62a_200135323944_100011934791 [0,0,0,0,0,0|2,1,0]=3 536 B11R0.148 CC(=S)OCCCSCCCO 62a_100011215043_200135323944 [0,0,0,0,0,0|2,1,0]=3 537 B11R0.148 CC(=S)OCCCSCCCO 62a_200135323944_100011215043 [0,0,0,0,0,0|2,1,0]=3 538 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,0,0,0,0,0|3,0,1]=4 539 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,0,0,0,0,0|3,0,1]=4 540 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,0,0,0,0,0|3,0,1]=4 541 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,0,0,0,0,0|3,0,1]=4 543 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,0,0,0,0,0|2,0,1]=3 545 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,0,0,0,0,0|2,0,1]=3 546 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,0,0,0,0,0|2,0,1]=3 547 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,0,0,0,0,0|2,0,1]=3 548 B11R0.148 CC(C)OCCCNCCCF 2230a_100000737246_100011934791 [0,0,0,0,0,0|3,0,1]=4 549 B11R0.148 CC(C)OCCCNCCCF 34a_100000737246_100011934791 [0,0,0,0,0,0|3,0,1]=4 550 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,0,0,0,0,0|3,0,1]=4 551 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,0,0,0,0,0|3,0,1]=4 552 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,0,0,0,0,0|3,0,1]=4 553 B11R0.148 CC(C)OCCNCCCCF 2230a_100000701111_100000729493 [0,0,0,0,0,0|3,0,1]=4 554 B11R0.148 CC(C)OCCNCCCCF 34a_100000701111_100000729493 [0,0,0,0,0,0|3,0,1]=4 555 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,0,0,0,0,0|3,0,1]=4 556 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,0,0,0,0,0|3,0,1]=4 557 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,0,0,0,0,0|3,0,1]=4 558 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,0,0,0,0,0|3,0,1]=4 559 B11R0.148 CC(C)OCCOCCCCBr 34a_100011216708_100000211751 [0,0,0,0,0,0|3,0,1]=4 560 B11R0.148 CC(C)OCCOCCCCCl 34a_100000210776_100000211751 [0,0,0,0,0,0|3,0,1]=4 561 B11R0.148 CC(C)OCCOCCCCCl 7a_100000210776_100000211751 [0,0,0,0,0,0|3,0,1]=4 562 B11R0.148 CC(C)OCCOCCCCF 34a_100000211219_100000729493 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.148 CC(C)OCCOCCCCF 34a_100011995726_100000211751 [0,0,0,0,0,0|3,0,1]=4 564 B11R0.148 CC(C)OCCOCCCCF 7a_100000211219_100000729493 [0,0,0,0,0,0|3,0,1]=4 565 B11R0.148 CC(C)OCCOCCCCF 7a_100011995726_100000211751 [0,0,0,0,0,0|3,0,1]=4 566 B11R0.148 CC(C)OCCOCCCCI 34a_200012148704_100000211751 [0,0,0,0,0,0|3,0,1]=4 567 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,0,0,0,0,0|3,0,1]=4 568 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,0,0,0,0,0|3,0,1]=4 569 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,0,0,0,0,0|3,0,1]=4 570 B11R0.148 CC(C)OCCSCCCCF 62a_100000211751_100000729493 [0,0,0,0,0,0|3,0,1]=4 571 B11R0.148 CC(C)OCCSCCCCF 62a_100000729493_100000211751 [0,0,0,0,0,0|3,0,1]=4 572 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,0,0,0,0,0|3,0,1]=4 573 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,0,0,0,0,0|3,0,1]=4 575 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,0,0,0,0,0|3,0,1]=4 576 B11R0.148 CC(C)OCOCCCCCBr 34a_100000746331_100000709892 [0,0,0,0,0,0|3,0,1]=4 577 B11R0.148 CC(C)OCOCCCCCCl 34a_100000746330_100000709892 [0,0,0,0,0,0|3,0,1]=4 578 B11R0.148 CC(C)OCOCCCCCI 34a_200012148887_100000709892 [0,0,0,0,0,0|3,0,1]=4 579 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,0,0,0,0,0|3,0,1]=4 580 B11R0.148 CC(C)OCSCCCCCF 62a_100000709892_100000729378 [0,0,0,0,0,0|3,0,1]=4 581 B11R0.148 CC(C)OCSCCCCCF 62a_100000729378_100000709892 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,0,0,0,0,0|3,0,1]=4 584 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,0,0,0,0,0|2,1,1]=4 585 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,0,0,0,0,0|2,1,1]=4 586 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [0,0,0,0,0,0|1,0,3]=4 587 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [0,0,0,0,0,0|1,0,3]=4 588 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,0,0,0,0,0|2,0,2]=4 589 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,0,0,0,0,0|2,0,2]=4 590 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,0,0,0,0,0|2,0,2]=4 591 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,0,0,0,0,0|1,0,2]=3 592 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,0,0,0,0,0|2,0,2]=4 593 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,0,0,0,0,0|2,0,2]=4 594 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,0,0,0,0,0|1,0,2]=3 595 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,0,0,0,0,0|1,0,2]=3 596 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,0,0,0,0,0|2,0,2]=4 597 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,0,0,0,0,0|2,0,2]=4 598 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,0,0,0,0,0|2,0,2]=4 599 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,0,0,0,0,0|2,0,2]=4 600 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,0,0,0,0,0|2,0,2]=4 601 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,0,0,0,0,0|1,0,2]=3 602 B11R0.148 CC/C=C\COCCOC(=O)N 34a_100016268518_200011214921 [0,0,0,0,0,0|2,0,2]=4 603 B11R0.148 CC/C=C\COCCOC(=O)N 7a_100000766696_100103147603 [0,0,0,0,0,0|2,0,2]=4 604 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,0,0,0,0,0|2,0,2]=4 605 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,0,0,0,0,0|2,0,2]=4 606 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,0,0,0,0,0|2,0,2]=4 607 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,0,0,0,0,0|2,0,2]=4 608 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,0,0,0,0,0|1,0,2]=3 609 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,0,0,0,0,0|1,0,2]=3 610 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_100103147603_200011214921 [0,0,0,0,0,0|2,0,2]=4 611 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_200011214921_100103147603 [0,0,0,0,0,0|2,0,2]=4 612 B11R0.148 CC=C=CCCOCOC(=O)C 34a_100011020354_100009813279 [0,0,0,0,0,0|1,0,3]=4 613 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,0,0,0,0,0|1,0,2]=3 614 B11R0.148 CC=CCNCCCNC(=O)C 34a_100000736810_100000070051 [0,0,0,0,0,0|2,0,2]=4 615 B11R0.148 CC=CCOCCCNC(=O)C 34a_100000752032_100000070051 [0,0,0,0,0,0|2,0,2]=4 616 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,0,0,0,0,0|2,0,2]=4 617 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,0,0,0,0,0|2,0,2]=4 618 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,0,0,0,0,0|1,0,2]=3 619 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,0,0,0,0,0|1,0,2]=3 620 B11R0.148 CC=CCSCCCOC(=S)C 62a_100000070051_200135323944 [0,0,0,0,0,0|1,1,2]=4 621 B11R0.148 CC=CCSCCCOC(=S)C 62a_200135323944_100000070051 [0,0,0,0,0,0|1,1,2]=4 622 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000038929_100000070051 [0,0,0,0,0,0|1,1,2]=4 623 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000070051_100000038929 [0,0,0,0,0,0|1,1,2]=4 624 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,0,0,0,0,0|2,0,2]=4 625 B11R0.148 CCC#CCCOCOC(=O)C 34a_100000036655_100009813279 [0,0,0,0,0,0|1,0,2]=3 626 B11R0.148 CCC#CCNCCNC(=O)C 2230a_100000209853_100009813939 [0,0,0,0,0,0|2,0,2]=4 627 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,0,0,0,0,0|2,0,2]=4 628 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,0,0,0,0,0|2,0,2]=4 629 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,0,0,0,0,0|2,0,2]=4 630 B11R0.148 CCC#CCOCCNC(=O)C 34a_100000158858_100009813939 [0,0,0,0,0,0|2,0,2]=4 631 B11R0.148 CCC#CCOCCOC(=O)C 34a_100000032950_100009814007 [0,0,0,0,0,0|1,0,2]=3 632 B11R0.148 CCC#CCOCCOC(=O)N 34a_100000032950_200011214921 [0,0,0,0,0,0|2,0,2]=4 633 B11R0.148 CCC#CCOCCOC(=O)N 7a_100000766696_100009813939 [0,0,0,0,0,0|2,0,2]=4 634 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,0,0,0,0,0|2,0,2]=4 635 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,0,0,0,0,0|2,0,2]=4 636 B11R0.148 CCC#CCSCCNC(=O)C 62a_100000189650_100009813939 [0,0,0,0,0,0|2,0,2]=4 637 B11R0.148 CCC#CCSCCNC(=O)C 62a_100009813939_100000189650 [0,0,0,0,0,0|2,0,2]=4 638 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009813939_100009814007 [0,0,0,0,0,0|1,0,2]=3 639 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009814007_100009813939 [0,0,0,0,0,0|1,0,2]=3 640 B11R0.148 CCC#CCSCCOC(=O)N 62a_100009813939_200011214921 [0,0,0,0,0,0|2,0,2]=4 641 B11R0.148 CCC#CCSCCOC(=O)N 62a_200011214921_100009813939 [0,0,0,0,0,0|2,0,2]=4 642 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,0,0,0,0,0|2,0,2]=4 643 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,0,0,0,0,0|1,0,2]=3 644 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,0,0,0,0,0|2,0,2]=4 645 B11R0.148 CCCC#CCOCOC(=O)C 34a_100000034806_100009813279 [0,0,0,0,0,0|1,0,2]=3 646 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,0,0,0,0,0|1,0,3]=4 647 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,0,0,0,0,0|1,0,3]=4 648 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,0,0,0,0,0|1,0,2]=3 649 B11R0.148 CCCCC#CCCOC(C)C 34a_100000037610_100000210206 [0,0,0,0,0,0|1,0,3]=4 650 B11R0.148 CCCCC#CCCOC(C)C 7a_100000037610_100000210206 [0,0,0,0,0,0|1,0,3]=4 651 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,0,0,0,0,0|1,0,2]=3 652 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,0,0,0,0,0|1,0,2]=3 653 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,0,0,0,0,0|1,0,3]=4 654 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,0,0,0,0,0|1,0,3]=4 655 B11R0.148 CCCCCC#CCOC(C)C 34a_100000212225_100009816472 [0,0,0,0,0,0|1,0,3]=4 656 B11R0.148 CCCCCC#CCOC(C)C 34a_200000033628_100000210206 [0,0,0,0,0,0|1,0,3]=4 657 B11R0.148 CCCCCC#CCOC(C)C 7a_200000033628_100000210206 [0,0,0,0,0,0|1,0,3]=4 658 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,0,0,0,0,0|1,0,2]=3 659 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,0,0,0,0,0|1,0,2]=3 660 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,0,0,0,0,0|2,0,1]=3 661 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,0,0,0,0,0|1,0,1]=2 662 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,0,0,0,0,0|1,0,1]=2 663 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,0,0,0,0,0|1,0,0]=1 664 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,0,0,0,0,0|1,0,0]=1 665 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,0,0,0,0,0|1,0,0]=1 666 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,0,0,0,0,0|3,0,0]=3 667 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,0,0,0,0,0|3,0,0]=3 668 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,0,0,0,0,0|3,0,0]=3 669 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,0,0,0,0,0|3,0,0]=3 670 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,0,0,0,0,0|3,0,0]=3 671 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,0,0,0,0,0|3,0,0]=3 672 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,0,0,0,0,0|1,0,0]=1 673 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,0,0,0,0,0|1,0,0]=1 674 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,0,0,0,0,0|1,0,0]=1 675 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,0,0,0,0,0|1,0,0]=1 676 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,0,0,0,0,0|2,0,1]=3 677 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,0,0,0,0,0|2,0,1]=3 678 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,0,0,0,0,0|2,0,1]=3 679 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,0,0,0,0,0|2,0,1]=3 680 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,0,0,0,0,0|1,0,1]=2 681 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,0,0,0,0,0|1,0,1]=2 682 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,0,0,0,0,0|1,0,1]=2 683 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,0,0,0,0,0|1,1,1]=3 684 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,0,0,0,0,0|1,1,1]=3 685 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,0,0,0,0,0|3,0,0]=3 686 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,0,0,0,0,0|3,0,0]=3 687 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,0,0,0,0,0|3,0,0]=3 688 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,0,0,0,0,0|3,0,1]=4 689 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,0,0,0,0,0|3,0,1]=4 690 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,0,0,0,0,0|3,0,1]=4 691 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,0,0,0,0,0|3,0,1]=4 692 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,0,0,0,0,0|2,0,2]=4 693 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,0,0,0,0,0|2,0,2]=4 694 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,0,0,0,0,0|2,0,2]=4 695 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,0,0,0,0,0|2,0,2]=4 696 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,0,0,0,0,0|2,0,0]=2 697 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,0,0,0,0,0|3,0,0]=3 698 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,0,0,0,0,0|3,0,0]=3 699 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,0,0,0,0,0|3,0,0]=3 700 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,0,0,0,0,0|3,0,1]=4 701 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,0,0,0,0,0|3,0,1]=4 702 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,0,0,0,0,0|3,0,1]=4 703 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,0,0,0,0,0|3,0,1]=4 704 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,0,0,0,0,0|3,0,1]=4 705 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,0,0,0,0,0|2,0,2]=4 706 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,0,0,0,0,0|2,0,2]=4 707 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,0,0,0,0,0|3,0,1]=4 708 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,0,0,0,0,0|3,0,1]=4 709 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,0,0,0,0,0|2,0,2]=4 710 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,0,0,0,0,0|2,0,2]=4 711 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,0,0,0,0,0|4,0,0]=4 712 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,0,0,0,0,0|3,0,0]=3 713 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,0,0,0,0,0|3,0,0]=3 714 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,0,0,0,0,0|3,0,0]=3 715 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,0,0,0,0,0|3,0,0]=3 716 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,0,0,0,0,0|3,0,1]=4 717 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,0,0,0,0,0|3,0,1]=4 718 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,0,0,0,0,0|2,0,2]=4 719 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,0,0,0,0,0|2,0,2]=4 720 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,0,0,0,0,0|2,0,2]=4 721 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,0,0,0,0,0|2,0,2]=4 722 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,0,0,0,0,0|4,0,0]=4 723 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,0,0,0,0,0|3,0,0]=3 724 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,0,0,0,0,0|3,0,0]=3 725 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,0,0,0,0,0|3,0,0]=3 726 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,0,0,0,0,0|3,0,1]=4 727 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,0,0,0,0,0|3,0,1]=4 728 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,0,0,0,0,0|2,0,2]=4 729 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,0,0,0,0,0|2,0,2]=4 730 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,0,0,0,0,0|2,0,1]=3 731 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,0,0,0,0,0|4,0,0]=4 732 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,0,0,0,0,0|3,0,0]=3 733 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,0,0,0,0,0|3,0,0]=3 734 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,0,0,0,0,0|3,0,0]=3 735 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,0,0,0,0,0|2,0,0]=2 736 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,0,0,0,0,0|2,0,0]=2 737 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,0,0,0,0,0|2,0,0]=2 738 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,0,0,0,0,0|3,0,0]=3 739 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,0,0,0,0,0|3,0,0]=3 740 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,0,0,0,0,0|3,0,0]=3 741 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,0,0,0,0,0|3,0,0]=3 742 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,0,0,0,0,0|3,0,1]=4 743 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,0,0,0,0,0|3,0,1]=4 744 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,0,0,0,0,0|3,0,1]=4 745 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,0,0,0,0,0|3,0,1]=4 746 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,0,0,0,0,0|3,0,1]=4 747 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,0,0,0,0,0|2,0,2]=4 748 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,0,0,0,0,0|2,0,2]=4 749 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,0,0,0,0,0|4,0,0]=4 750 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,0,0,0,0,0|3,0,1]=4 751 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,0,0,0,0,0|1,0,0]=1 752 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,0,0,0,0,0|2,0,1]=3 753 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,0,0,0,0,0|3,0,0]=3 754 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,0,0,0,0,0|3,0,0]=3 755 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,0,0,0,0,0|2,0,0]=2 756 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,0,0,0,0,0|2,0,0]=2 757 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,0,0,0,0,0|3,0,0]=3 758 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,0,0,0,0,0|3,0,0]=3 759 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,0,0,0,0,0|3,0,1]=4 760 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,0,0,0,0,0|3,0,1]=4 761 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,0,0,0,0,0|2,0,2]=4 762 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,0,0,0,0,0|2,0,2]=4 763 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,0,0,0,0,0|4,0,0]=4 764 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,0,0,0,0,0|1,0,0]=1 765 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,0,0,0,0,0|1,0,0]=1 766 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,0,0,0,0,0|2,0,1]=3 767 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,0,0,0,0,0|2,0,1]=3 768 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,0,0,0,0,0|3,0,0]=3 769 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,0,0,0,0,0|4,0,0]=4 770 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,0,0,0,0,0|3,0,0]=3 771 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,0,0,0,0,0|3,0,1]=4 772 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,0,0,0,0,0|3,0,1]=4 773 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,0,0,0,0,0|3,0,1]=4 774 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,0,0,0,0,0|2,0,2]=4 775 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,0,0,0,0,0|3,0,0]=3 776 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,0,0,0,0,0|2,0,0]=2 777 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,0,0,0,0,0|2,0,0]=2 778 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,0,0,0,0,0|3,0,0]=3 779 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,0,0,0,0,0|3,0,0]=3 780 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,0,0,0,0,0|2,0,1]=3 781 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,0,0,0,0,0|2,0,1]=3 782 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,0,0,0,0,0|2,0,1]=3 783 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,0,0,0,0,0|2,0,1]=3 784 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,0,0,0,0,0|2,1,1]=4 785 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,0,0,0,0,0|2,1,1]=4 786 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,0,0,0,0,0|2,1,1]=4 787 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,0,0,0,0,0|3,0,0]=3 788 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,0,0,0,0,0|3,0,0]=3 789 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,0,0,0,0,0|4,0,0]=4 790 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,0,0,0,0,0|4,0,0]=4 791 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,0,0,0,0,0|2,0,0]=2 792 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,0,0,0,0,0|2,0,0]=2 793 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,0,0,0,0,0|2,0,0]=2 794 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,0,0,0,0,0|2,0,0]=2 795 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,0,0,0,0,0|3,0,0]=3 796 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,0,0,0,0,0|3,0,0]=3 797 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,0,0,0,0,0|3,0,1]=4 798 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,0,0,0,0,0|3,0,1]=4 799 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,0,0,0,0,0|3,0,1]=4 800 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,0,0,0,0,0|3,0,1]=4 801 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,0,0,0,0,0|2,0,2]=4 802 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,0,0,0,0,0|2,0,2]=4 803 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,0,0,0,0,0|4,0,0]=4 804 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,0,0,0,0,0|4,0,0]=4 805 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,0,0,0,0,0|2,0,0]=2 806 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,0,0,0,0,0|2,0,0]=2 807 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,0,0,0,0,0|3,0,0]=3 808 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,0,0,0,0,0|3,0,0]=3 809 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,0,0,0,0,0|3,0,1]=4 810 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,0,0,0,0,0|1,0,0]=1 811 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,0,0,0,0,0|1,0,0]=1 812 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,0,0,0,0,0|2,0,0]=2 813 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,0,0,0,0,0|2,0,0]=2 814 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,0,0,0,0,0|2,0,0]=2 815 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,0,0,0,0,0|2,0,1]=3 816 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,0,0,0,0,0|2,0,1]=3 817 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,0,0,0,0,0|2,0,1]=3 818 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,0,0,0,0,0|2,0,1]=3 819 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,0,0,0,0,0|2,0,1]=3 820 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,0,0,0,0,0|2,0,1]=3 821 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,0,0,0,0,0|2,1,1]=4 822 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,0,0,0,0,0|2,1,1]=4 823 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,0,0,0,0,0|2,1,1]=4 824 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,0,0,0,0,0|2,1,1]=4 825 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,0,0,0,0,0|3,0,0]=3 826 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,0,0,0,0,0|3,0,0]=3 827 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,0,0,0,0,0|4,0,0]=4 828 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,0,0,0,0,0|4,0,0]=4 829 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,0,0,0,0,0|2,0,0]=2 830 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,0,0,0,0,0|2,0,0]=2 831 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,0,0,0,0,0|3,0,0]=3 832 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,0,0,0,0,0|3,0,0]=3 833 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,0,0,0,0,0|3,0,1]=4 834 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,0,0,0,0,0|3,0,1]=4 835 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,0,0,0,0,0|2,0,2]=4 836 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,0,0,0,0,0|2,0,2]=4 837 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,0,0,0,0,0|4,0,0]=4 838 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,0,0,0,0,0|2,0,0]=2 839 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,0,0,0,0,0|2,0,0]=2 840 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,0,0,0,0,0|3,0,0]=3 841 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,0,0,0,0,0|3,0,0]=3 842 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,0,0,0,0,0|1,0,0]=1 843 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,0,0,0,0,0|1,0,0]=1 844 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,0,0,0,0,0|2,0,0]=2 845 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,0,0,0,0,0|2,0,0]=2 846 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,0,0,0,0,0|2,0,1]=3 847 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,0,0,0,0,0|2,0,1]=3 848 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,0,0,0,0,0|2,1,1]=4 849 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,0,0,0,0,0|2,1,1]=4 850 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,0,0,0,0,0|2,0,0]=2 851 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,0,0,0,0,0|3,0,0]=3 852 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,0,0,0,0,0|3,0,1]=4 853 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,0,0,0,0,0|3,0,1]=4 854 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,0,0,0,0,0|2,0,0]=2 855 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,0,0,0,0,0|1,0,0]=1 856 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,0,0,0,0,0|1,1,0]=2 857 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,0,0,0,0,0|1,1,0]=2 858 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,0,0,0,0,0|2,0,1]=3 859 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,0,0,0,0,0|2,0,1]=3 860 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,0,0,0,0,0|1,1,0]=2 861 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,0,0,0,0,0|1,1,0]=2 862 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,0,0,0,0,0|4,0,0]=4 863 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,0,0,0,0,0|4,0,0]=4 864 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,0,0,0,0,0|4,0,0]=4 865 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,0,0,0,0,0|2,0,0]=2 866 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,0,0,0,0,0|2,0,0]=2 867 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,0,0,0,0,0|3,0,0]=3 868 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,0,0,0,0,0|3,0,0]=3 869 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,0,0,0,0,0|3,0,1]=4 870 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,0,0,0,0,0|3,0,1]=4 871 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,0,0,0,0,0|3,0,1]=4 872 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,0,0,0,0,0|3,0,1]=4 873 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,0,0,0,0,0|4,0,0]=4 874 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,0,0,0,0,0|4,0,0]=4 875 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,0,0,0,0,0|2,0,0]=2 876 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,0,0,0,0,0|2,0,0]=2 877 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,0,0,0,0,0|2,0,0]=2 878 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,0,0,0,0,0|2,0,0]=2 879 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,0,0,0,0,0|3,0,1]=4 880 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,0,0,0,0,0|3,0,1]=4 881 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,0,0,0,0,0|3,0,1]=4 882 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,0,0,0,0,0|1,0,0]=1 883 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,0,0,0,0,0|1,0,0]=1 884 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,0,0,0,0,0|1,1,0]=2 885 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,0,0,0,0,0|1,1,0]=2 886 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,0,0,0,0,0|2,0,1]=3 887 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,0,0,0,0,0|2,0,1]=3 888 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,0,0,0,0,0|1,1,0]=2 889 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,0,0,0,0,0|1,1,0]=2 890 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,0,0,0,0,0|4,0,0]=4 891 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,0,0,0,0,0|4,0,0]=4 892 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,0,0,0,0,0|3,0,0]=3 893 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,0,0,0,0,0|3,0,0]=3 894 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,0,0,0,0,0|4,0,0]=4 895 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,0,0,0,0,0|4,0,0]=4 896 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,0,0,0,0,0|4,0,0]=4 897 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,0,0,0,0,0|4,0,0]=4 898 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,0,0,0,0,0|3,0,0]=3 899 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,0,0,0,0,0|4,0,0]=4 900 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,0,0,0,0,0|4,0,0]=4 901 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,0,0,0,0,0|4,0,0]=4 902 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,0,0,0,0,0|4,0,0]=4 903 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,0,0,0,0,0|4,0,0]=4 904 B11R0.148 CCCCOCNCC=C(C)C 34a_100000718196_100011995733 [0,0,0,0,0,0|4,0,0]=4 905 B11R0.148 CCCCOCOCC=C(C)C 34a_100000753907_100011995733 [0,0,0,0,0,0|4,0,0]=4 906 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,0,0,0,0,0|3,0,0]=3 907 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,0,0,0,0,0|4,0,0]=4 908 B11R0.148 CCCCOCSCC=C(C)C 62a_100000761012_100011995733 [0,0,0,0,0,0|4,0,0]=4 909 B11R0.148 CCCCOCSCC=C(C)C 62a_100011995733_100000761012 [0,0,0,0,0,0|4,0,0]=4 910 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,0,0,0,0,0|3,0,0]=3 911 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,0,0,0,0,0|3,0,0]=3 912 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,0,0,0,0,0|4,0,0]=4 913 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,0,0,0,0,0|4,0,0]=4 914 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,0,0,0,0,0|2,0,0]=2 915 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,0,0,0,0,0|2,0,0]=2 916 B11R0.148 CCCCOCSCOC(C)C 62a_100000709892_100011995733 [0,0,0,0,0,0|3,0,1]=4 917 B11R0.148 CCCCOCSCOC(C)C 62a_100011995733_100000709892 [0,0,0,0,0,0|3,0,1]=4 918 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,0,0,0,0,0|2,0,0]=2 919 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,0,0,0,0,0|2,0,0]=2 920 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,0,0,0,0,0|3,0,1]=4 921 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,0,0,0,0,0|3,0,1]=4 922 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,0,0,0,0,0|4,0,0]=4 923 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,0,0,0,0,0|1,0,0]=1 924 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,0,0,0,0,0|1,0,0]=1 925 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,0,0,0,0,0|1,1,0]=2 926 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,0,0,0,0,0|1,1,0]=2 927 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,0,0,0,0,0|1,1,0]=2 928 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,0,0,0,0,0|1,1,0]=2 929 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,0,0,0,0,0|4,0,0]=4 930 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,0,0,0,0,0|4,0,0]=4 931 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,0,0,0,0,0|4,0,0]=4 932 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,0,0,0,0,0|4,0,0]=4 933 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,0,0,0,0,0|4,0,0]=4 934 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,0,0,0,0,0|4,0,0]=4 935 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,0,0,0,0,0|3,0,1]=4 936 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,0,0,0,0,0|3,0,1]=4 937 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,0,0,0,0,0|2,0,0]=2 938 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,0,0,0,0,0|2,0,0]=2 939 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,0,0,0,0,0|3,0,0]=3 940 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,0,0,0,0,0|3,0,0]=3 941 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,0,0,0,0,0|3,0,0]=3 942 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,0,0,0,0,0|3,0,0]=3 943 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,0,0,0,0,0|3,0,1]=4 944 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,0,0,0,0,0|3,0,1]=4 945 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,0,0,0,0,0|3,0,1]=4 946 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,0,0,0,0,0|3,0,1]=4 947 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,0,0,0,0,0|1,0,0]=1 948 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,0,0,0,0,0|1,0,0]=1 949 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,0,0,0,0,0|1,0,0]=1 950 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,0,0,0,0,0|3,0,0]=3 951 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,0,0,0,0,0|1,1,0]=2 952 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,0,0,0,0,0|4,0,0]=4 953 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,0,0,0,0,0|4,0,0]=4 954 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,0,0,0,0,0|4,0,0]=4 955 B11R0.148 CCCOCCNCC=C(C)C 2230a_100161115042_100000761012 [0,0,0,0,0,0|4,0,0]=4 956 B11R0.148 CCCOCCNCC=C(C)C 34a_100000718196_100011215938 [0,0,0,0,0,0|4,0,0]=4 957 B11R0.148 CCCOCCNCC=C(C)C 34a_100161115042_100000761012 [0,0,0,0,0,0|4,0,0]=4 958 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,0,0,0,0,0|4,0,0]=4 959 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,0,0,0,0,0|4,0,0]=4 960 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,0,0,0,0,0|2,0,0]=2 961 B11R0.148 CCCOCCNCOC(C)C 2230a_100161115042_100000709892 [0,0,0,0,0,0|3,0,1]=4 962 B11R0.148 CCCOCCNCOC(C)C 34a_100161115042_100000709892 [0,0,0,0,0,0|3,0,1]=4 963 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [0,0,0,0,0,0|4,0,0]=4 964 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [0,0,0,0,0,0|4,0,0]=4 965 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [0,0,0,0,0,0|4,0,0]=4 966 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,0,0,0,0,0|3,0,0]=3 967 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,0,0,0,0,0|3,0,0]=3 968 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,0,0,0,0,0|3,0,0]=3 969 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,0,0,0,0,0|4,0,0]=4 970 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,0,0,0,0,0|4,0,0]=4 971 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,0,0,0,0,0|4,0,0]=4 972 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,0,0,0,0,0|4,0,0]=4 973 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,0,0,0,0,0|2,0,0]=2 974 B11R0.148 CCCOCCOCOC(C)C 34a_100000752267_100000709892 [0,0,0,0,0,0|3,0,1]=4 975 B11R0.148 CCCOCCSCC=C(C)C 62a_100000761012_100011215938 [0,0,0,0,0,0|4,0,0]=4 976 B11R0.148 CCCOCCSCC=C(C)C 62a_100011215938_100000761012 [0,0,0,0,0,0|4,0,0]=4 977 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,0,0,0,0,0|3,0,0]=3 978 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,0,0,0,0,0|3,0,0]=3 979 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,0,0,0,0,0|4,0,0]=4 980 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,0,0,0,0,0|4,0,0]=4 981 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,0,0,0,0,0|2,0,0]=2 982 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,0,0,0,0,0|2,0,0]=2 983 B11R0.148 CCCOCCSCOC(C)C 62a_100000709892_100011215938 [0,0,0,0,0,0|3,0,1]=4 984 B11R0.148 CCCOCCSCOC(C)C 62a_100011215938_100000709892 [0,0,0,0,0,0|3,0,1]=4 985 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,0,0,0,0,0|2,0,0]=2 986 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,0,0,0,0,0|3,0,0]=3 987 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,0,0,0,0,0|3,0,0]=3 988 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,0,0,0,0,0|3,0,1]=4 989 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,0,0,0,0,0|3,0,1]=4 990 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,0,0,0,0,0|1,0,0]=1 991 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,0,0,0,0,0|1,0,0]=1 992 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,0,0,0,0,0|3,0,0]=3 993 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,0,0,0,0,0|1,1,0]=2 994 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,0,0,0,0,0|1,1,0]=2 995 B11R0.148 CCCSCCNCC=C(C)C 2230a_100020603323_100000761012 [0,0,0,0,0,0|4,0,0]=4 996 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,0,0,0,0,0|4,0,0]=4 997 B11R0.148 CCCSCCNCOC(C)C 2230a_100020603323_100000709892 [0,0,0,0,0,0|3,0,1]=4 998 B11R0.148 CCCSCCOCC=C(C)C 34a_200000230433_100000761012 [0,0,0,0,0,0|4,0,0]=4 999 B11R0.148 CCCSCCOCC=C(C)C 7a_200000230433_100000761012 [0,0,0,0,0,0|4,0,0]=4 1000 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,0,0,0,0,0|3,0,0]=3 1001 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,0,0,0,0,0|4,0,0]=4 1002 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,0,0,0,0,0|4,0,0]=4 1003 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,0,0,0,0,0|2,0,0]=2 1004 B11R0.148 CCCSCCOCOC(C)C 34a_200000230433_100000709892 [0,0,0,0,0,0|3,0,1]=4 1005 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,0,0,0,0,0|2,0,0]=2 1006 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,0,0,0,0,0|2,0,0]=2 1007 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,0,0,0,0,0|3,0,1]=4 1008 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,0,0,0,0,0|3,0,1]=4 1009 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,0,0,0,0,0|2,0,0]=2 1010 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,0,0,0,0,0|2,0,0]=2 1011 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,0,0,0,0,0|1,0,0]=1 1012 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,0,0,0,0,0|2,0,0]=2 1013 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,0,0,0,0,0|3,0,1]=4 1014 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,0,0,0,0,0|1,0,0]=1 1015 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [0,0,0,0,0,0|4,0,0]=4 1016 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [0,0,0,0,0,0|4,0,0]=4 1017 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [0,0,0,0,0,0|4,0,0]=4 1018 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,0,0,0,0,0|4,0,0]=4 1019 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,0,0,0,0,0|4,0,0]=4 1020 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,0,0,0,0,0|2,0,0]=2 1021 B11R0.148 CCOCCCNCOC(C)C 2230a_100000210961_100000709892 [0,0,0,0,0,0|3,0,1]=4 1022 B11R0.148 CCOCCCNCOC(C)C 34a_100000210961_100000709892 [0,0,0,0,0,0|3,0,1]=4 1023 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [0,0,0,0,0,0|4,0,0]=4 1024 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [0,0,0,0,0,0|4,0,0]=4 1025 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [0,0,0,0,0,0|4,0,0]=4 1026 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,0,0,0,0,0|3,0,0]=3 1027 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,0,0,0,0,0|3,0,0]=3 1028 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,0,0,0,0,0|3,0,0]=3 1029 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,0,0,0,0,0|4,0,0]=4 1030 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,0,0,0,0,0|4,0,0]=4 1031 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,0,0,0,0,0|4,0,0]=4 1032 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,0,0,0,0,0|4,0,0]=4 1033 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,0,0,0,0,0|2,0,0]=2 1034 B11R0.148 CCOCCCOCOC(C)C 34a_100000757476_100000709892 [0,0,0,0,0,0|3,0,1]=4 1035 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [0,0,0,0,0,0|4,0,0]=4 1036 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [0,0,0,0,0,0|4,0,0]=4 1037 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,0,0,0,0,0|3,0,0]=3 1038 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,0,0,0,0,0|3,0,0]=3 1039 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,0,0,0,0,0|4,0,0]=4 1040 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,0,0,0,0,0|4,0,0]=4 1041 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,0,0,0,0,0|2,0,0]=2 1042 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,0,0,0,0,0|2,0,0]=2 1043 B11R0.148 CCOCCCSCOC(C)C 62a_100000709892_100012232248 [0,0,0,0,0,0|3,0,1]=4 1044 B11R0.148 CCOCCCSCOC(C)C 62a_100012232248_100000709892 [0,0,0,0,0,0|3,0,1]=4 1045 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [0,0,0,0,0,0|4,0,0]=4 1046 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [0,0,0,0,0,0|4,0,0]=4 1047 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,0,0,0,0,0|3,0,0]=3 1048 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,0,0,0,0,0|4,0,0]=4 1049 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,0,0,0,0,0|4,0,0]=4 1050 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,0,0,0,0,0|4,0,0]=4 1051 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,0,0,0,0,0|3,0,0]=3 1052 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,0,0,0,0,0|3,0,0]=3 1053 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,0,0,0,0,0|4,0,0]=4 1054 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,0,0,0,0,0|4,0,0]=4 1055 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,0,0,0,0,0|2,0,0]=2 1056 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,0,0,0,0,0|3,0,0]=3 1057 B11R0.148 CCOCCNCCOC(C)C 2230a_100000701111_100011215890 [0,0,0,0,0,0|3,0,1]=4 1058 B11R0.148 CCOCCNCCOC(C)C 2230a_102516460346_100000211751 [0,0,0,0,0,0|3,0,1]=4 1059 B11R0.148 CCOCCNCCOC(C)C 34a_100000701111_100000210147 [0,0,0,0,0,0|3,0,1]=4 1060 B11R0.148 CCOCCNCCOC(C)C 34a_102516460346_100000211751 [0,0,0,0,0,0|3,0,1]=4 1061 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [0,0,0,0,0,0|4,0,0]=4 1062 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [0,0,0,0,0,0|4,0,0]=4 1063 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,0,0,0,0,0|3,0,0]=3 1064 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,0,0,0,0,0|3,0,0]=3 1065 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,0,0,0,0,0|3,0,0]=3 1066 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,0,0,0,0,0|3,0,0]=3 1067 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,0,0,0,0,0|4,0,0]=4 1068 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,0,0,0,0,0|4,0,0]=4 1069 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,0,0,0,0,0|3,0,0]=3 1070 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,0,0,0,0,0|3,0,0]=3 1071 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,0,0,0,0,0|3,0,0]=3 1072 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,0,0,0,0,0|3,0,0]=3 1073 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,0,0,0,0,0|3,0,0]=3 1074 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,0,0,0,0,0|3,0,0]=3 1075 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,0,0,0,0,0|4,0,0]=4 1076 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,0,0,0,0,0|4,0,0]=4 1077 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,0,0,0,0,0|2,0,0]=2 1078 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,0,0,0,0,0|2,0,0]=2 1079 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,0,0,0,0,0|2,0,0]=2 1080 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,0,0,0,0,0|3,0,0]=3 1081 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,0,0,0,0,0|3,0,0]=3 1082 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,0,0,0,0,0|3,0,0]=3 1083 B11R0.148 CCOCCOCCOC(C)C 34a_100000210136_100000211751 [0,0,0,0,0,0|3,0,1]=4 1084 B11R0.148 CCOCCOCCOC(C)C 34a_100000210240_100000210206 [0,0,0,0,0,0|3,0,1]=4 1085 B11R0.148 CCOCCOCCOC(C)C 34a_100000211219_100000210147 [0,0,0,0,0,0|3,0,1]=4 1086 B11R0.148 CCOCCOCCOC(C)C 34a_100000212225_100011211534 [0,0,0,0,0,0|3,0,1]=4 1087 B11R0.148 CCOCCOCCOC(C)C 7a_100000210136_100000211751 [0,0,0,0,0,0|3,0,1]=4 1088 B11R0.148 CCOCCOCCOC(C)C 7a_100000210240_100000210206 [0,0,0,0,0,0|3,0,1]=4 1089 B11R0.148 CCOCCOCCOC(C)C 7a_100000211219_100011215890 [0,0,0,0,0,0|3,0,1]=4 1090 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [0,0,0,0,0,0|4,0,0]=4 1091 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [0,0,0,0,0,0|4,0,0]=4 1092 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,0,0,0,0,0|3,0,0]=3 1093 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,0,0,0,0,0|3,0,0]=3 1094 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,0,0,0,0,0|4,0,0]=4 1095 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,0,0,0,0,0|4,0,0]=4 1096 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,0,0,0,0,0|3,0,0]=3 1097 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,0,0,0,0,0|3,0,0]=3 1098 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,0,0,0,0,0|4,0,0]=4 1099 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,0,0,0,0,0|4,0,0]=4 1100 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,0,0,0,0,0|2,0,0]=2 1101 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,0,0,0,0,0|2,0,0]=2 1102 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,0,0,0,0,0|3,0,0]=3 1103 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,0,0,0,0,0|3,0,0]=3 1104 B11R0.148 CCOCCSCCOC(C)C 62a_100000210147_100000211751 [0,0,0,0,0,0|3,0,1]=4 1105 B11R0.148 CCOCCSCCOC(C)C 62a_100000211751_100011215890 [0,0,0,0,0,0|3,0,1]=4 1106 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,0,0,0,0,0|3,0,0]=3 1107 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,0,0,0,0,0|3,0,0]=3 1108 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,0,0,0,0,0|2,0,0]=2 1109 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,0,0,0,0,0|2,0,0]=2 1110 B11R0.148 CCOCSCCCOC(=S)C 62a_100000739092_200135323944 [0,0,0,0,0,0|2,1,0]=3 1111 B11R0.148 CCOCSCCCOC(=S)C 62a_200135323944_100000739092 [0,0,0,0,0,0|2,1,0]=3 1112 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,0,0,0,0,0|2,1,0]=3 1113 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,0,0,0,0,0|2,1,0]=3 1114 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,0,0,0,0,0|1,0,0]=1 1115 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,0,0,0,0,0|1,0,0]=1 1116 B11R0.148 CCSCCCOCC=C(C)C 34a_100011216438_100000761012 [0,0,0,0,0,0|4,0,0]=4 1117 B11R0.148 CCSCCCOCC=C(C)C 7a_100011216438_100000761012 [0,0,0,0,0,0|4,0,0]=4 1118 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,0,0,0,0,0|3,0,0]=3 1119 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,0,0,0,0,0|4,0,0]=4 1120 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,0,0,0,0,0|4,0,0]=4 1121 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,0,0,0,0,0|2,0,0]=2 1122 B11R0.148 CCSCCCOCOC(C)C 34a_100011216438_100000709892 [0,0,0,0,0,0|3,0,1]=4 1123 B11R0.148 CCSCCNCCC=C(C)C 2230a_100000106463_100011217483 [0,0,0,0,0,0|4,0,0]=4 1124 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,0,0,0,0,0|4,0,0]=4 1125 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,0,0,0,0,0|4,0,0]=4 1126 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,0,0,0,0,0|3,0,0]=3 1127 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,0,0,0,0,0|3,0,0]=3 1128 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,0,0,0,0,0|4,0,0]=4 1129 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,0,0,0,0,0|4,0,0]=4 1130 B11R0.148 CCSCCNCCOC(C)C 2230a_100000106463_100000211751 [0,0,0,0,0,0|3,0,1]=4 1131 B11R0.148 CCSCCNCCOC(C)C 2230a_100000701111_100000757381 [0,0,0,0,0,0|3,0,1]=4 1132 B11R0.148 CCSCCNCCOC(C)C 34a_100000701111_100000757381 [0,0,0,0,0,0|3,0,1]=4 1133 B11R0.148 CCSCCOCCC=C(C)C 34a_100000212035_100011217483 [0,0,0,0,0,0|4,0,0]=4 1134 B11R0.148 CCSCCOCCC=C(C)C 7a_100000212035_100011217483 [0,0,0,0,0,0|4,0,0]=4 1135 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,0,0,0,0,0|3,0,0]=3 1136 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,0,0,0,0,0|3,0,0]=3 1137 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,0,0,0,0,0|3,0,0]=3 1138 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,0,0,0,0,0|3,0,0]=3 1139 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,0,0,0,0,0|4,0,0]=4 1140 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,0,0,0,0,0|4,0,0]=4 1141 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,0,0,0,0,0|3,0,0]=3 1142 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,0,0,0,0,0|3,0,0]=3 1143 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,0,0,0,0,0|4,0,0]=4 1144 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,0,0,0,0,0|4,0,0]=4 1145 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,0,0,0,0,0|2,0,0]=2 1146 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,0,0,0,0,0|2,0,0]=2 1147 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,0,0,0,0,0|2,0,0]=2 1148 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,0,0,0,0,0|2,0,0]=2 1149 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,0,0,0,0,0|3,0,0]=3 1150 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,0,0,0,0,0|3,0,0]=3 1151 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,0,0,0,0,0|3,0,0]=3 1152 B11R0.148 CCSCCOCCOC(C)C 34a_100000211219_100000757381 [0,0,0,0,0,0|3,0,1]=4 1153 B11R0.148 CCSCCOCCOC(C)C 34a_100000212035_100000211751 [0,0,0,0,0,0|3,0,1]=4 1154 B11R0.148 CCSCCOCCOC(C)C 7a_100000211219_100000757381 [0,0,0,0,0,0|3,0,1]=4 1155 B11R0.148 CCSCCOCCOC(C)C 7a_100000212035_100000211751 [0,0,0,0,0,0|3,0,1]=4 1156 B11R0.148 CCSCCSCCC=C(C)C 62a_100000757381_100011217483 [0,0,0,0,0,0|4,0,0]=4 1157 B11R0.148 CCSCCSCCC=C(C)C 62a_100011217483_100000757381 [0,0,0,0,0,0|4,0,0]=4 1158 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,0,0,0,0,0|3,0,0]=3 1159 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,0,0,0,0,0|3,0,0]=3 1160 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,0,0,0,0,0|4,0,0]=4 1161 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,0,0,0,0,0|4,0,0]=4 1162 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,0,0,0,0,0|3,0,0]=3 1163 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,0,0,0,0,0|3,0,0]=3 1164 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,0,0,0,0,0|4,0,0]=4 1165 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,0,0,0,0,0|4,0,0]=4 1166 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,0,0,0,0,0|2,0,0]=2 1167 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,0,0,0,0,0|2,0,0]=2 1168 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,0,0,0,0,0|3,0,0]=3 1169 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,0,0,0,0,0|3,0,0]=3 1170 B11R0.148 CCSCCSCCOC(C)C 62a_100000211751_100000757381 [0,0,0,0,0,0|3,0,1]=4 1171 B11R0.148 CCSCCSCCOC(C)C 62a_100000757381_100000211751 [0,0,0,0,0,0|3,0,1]=4 1172 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,0,0,0,0,0|4,0,0]=4 1173 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,0,0,0,0,0|4,0,0]=4 1174 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,0,0,0,0,0|2,0,0]=2 1175 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,0,0,0,0,0|2,0,0]=2 1176 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,0,0,0,0,0|4,0,0]=4 1177 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,0,0,0,0,0|4,0,0]=4 1178 B11R0.148 CNCCCOCCC=C(C)C 34a_100000213112_100011217483 [0,0,0,0,0,0|4,0,0]=4 1179 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,0,0,0,0,0|3,0,0]=3 1180 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,0,0,0,0,0|4,0,0]=4 1181 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,0,0,0,0,0|2,0,0]=2 1182 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,0,0,0,0,0|3,0,0]=3 1183 B11R0.148 CNCCCOCCOC(C)C 34a_100000213112_100000211751 [0,0,0,0,0,0|3,0,1]=4 1184 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,0,0,0,0,0|3,0,1]=4 1185 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,0,0,0,0,0|3,0,1]=4 1186 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,0,0,0,0,0|3,0,1]=4 1187 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,0,0,0,0,0|3,0,1]=4 1188 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,0,0,0,0,0|2,0,1]=3 1189 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,0,0,0,0,0|2,0,1]=3 1190 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,0,0,0,0,0|2,0,1]=3 1191 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,0,0,0,0,0|2,1,1]=4 1192 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,0,0,0,0,0|2,1,1]=4 1193 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,0,0,0,0,0|4,0,0]=4 1194 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,0,0,0,0,0|4,0,0]=4 1195 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,0,0,0,0,0|4,0,0]=4 1196 B11R0.148 COCCCCNCC=C(C)C 34a_100000718196_100000755781 [0,0,0,0,0,0|4,0,0]=4 1197 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [0,0,0,0,0,0|4,0,0]=4 1198 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [0,0,0,0,0,0|4,0,0]=4 1199 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,0,0,0,0,0|3,0,0]=3 1200 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,0,0,0,0,0|3,0,0]=3 1201 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,0,0,0,0,0|4,0,0]=4 1202 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,0,0,0,0,0|4,0,0]=4 1203 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,0,0,0,0,0|4,0,0]=4 1204 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,0,0,0,0,0|2,0,0]=2 1205 B11R0.148 COCCCCOCOC(C)C 34a_100000740925_100000709892 [0,0,0,0,0,0|3,0,1]=4 1206 B11R0.148 COCCCCSCC=C(C)C 62a_100000730899_100000761012 [0,0,0,0,0,0|4,0,0]=4 1207 B11R0.148 COCCCCSCC=C(C)C 62a_100000761012_100000730899 [0,0,0,0,0,0|4,0,0]=4 1208 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,0,0,0,0,0|3,0,0]=3 1209 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,0,0,0,0,0|3,0,0]=3 1210 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,0,0,0,0,0|4,0,0]=4 1211 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,0,0,0,0,0|4,0,0]=4 1212 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,0,0,0,0,0|2,0,0]=2 1213 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,0,0,0,0,0|2,0,0]=2 1214 B11R0.148 COCCCCSCOC(C)C 62a_100000709892_100000730899 [0,0,0,0,0,0|3,0,1]=4 1215 B11R0.148 COCCCCSCOC(C)C 62a_100000730899_100000709892 [0,0,0,0,0,0|3,0,1]=4 1216 B11R0.148 COCCCNCCC=C(C)C 34a_100150723488_100011217483 [0,0,0,0,0,0|4,0,0]=4 1217 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,0,0,0,0,0|3,0,0]=3 1218 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,0,0,0,0,0|4,0,0]=4 1219 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,0,0,0,0,0|4,0,0]=4 1220 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,0,0,0,0,0|4,0,0]=4 1221 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,0,0,0,0,0|3,0,0]=3 1222 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,0,0,0,0,0|4,0,0]=4 1223 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,0,0,0,0,0|2,0,0]=2 1224 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,0,0,0,0,0|3,0,0]=3 1225 B11R0.148 COCCCNCCOC(C)C 2230a_100000701111_100000740836 [0,0,0,0,0,0|3,0,1]=4 1226 B11R0.148 COCCCNCCOC(C)C 34a_100000701111_100000740836 [0,0,0,0,0,0|3,0,1]=4 1227 B11R0.148 COCCCNCCOC(C)C 34a_100150723488_100000211751 [0,0,0,0,0,0|3,0,1]=4 1228 B11R0.148 COCCCOCCC=C(C)C 34a_100000740835_100011217483 [0,0,0,0,0,0|4,0,0]=4 1229 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,0,0,0,0,0|3,0,0]=3 1230 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,0,0,0,0,0|3,0,0]=3 1231 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,0,0,0,0,0|3,0,0]=3 1232 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,0,0,0,0,0|4,0,0]=4 1233 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,0,0,0,0,0|3,0,0]=3 1234 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,0,0,0,0,0|4,0,0]=4 1235 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,0,0,0,0,0|2,0,0]=2 1236 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,0,0,0,0,0|3,0,0]=3 1237 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,0,0,0,0,0|3,0,0]=3 1238 B11R0.148 COCCCOCCOC(C)C 34a_100000211219_100000740836 [0,0,0,0,0,0|3,0,1]=4 1239 B11R0.148 COCCCOCCOC(C)C 34a_100000740835_100000211751 [0,0,0,0,0,0|3,0,1]=4 1240 B11R0.148 COCCCOCCOC(C)C 7a_100000211219_100000740836 [0,0,0,0,0,0|3,0,1]=4 1241 B11R0.148 COCCCSCCC=C(C)C 62a_100000709357_100011217483 [0,0,0,0,0,0|4,0,0]=4 1242 B11R0.148 COCCCSCCC=C(C)C 62a_100011217483_100000709357 [0,0,0,0,0,0|4,0,0]=4 1243 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,0,0,0,0,0|3,0,0]=3 1244 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,0,0,0,0,0|3,0,0]=3 1245 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,0,0,0,0,0|4,0,0]=4 1246 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,0,0,0,0,0|4,0,0]=4 1247 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,0,0,0,0,0|3,0,0]=3 1248 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,0,0,0,0,0|3,0,0]=3 1249 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,0,0,0,0,0|4,0,0]=4 1250 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,0,0,0,0,0|4,0,0]=4 1251 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,0,0,0,0,0|2,0,0]=2 1252 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,0,0,0,0,0|2,0,0]=2 1253 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,0,0,0,0,0|3,0,0]=3 1254 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,0,0,0,0,0|3,0,0]=3 1255 B11R0.148 COCCCSCCOC(C)C 62a_100000211751_100000709357 [0,0,0,0,0,0|3,0,1]=4 1256 B11R0.148 COCCCSCCOC(C)C 62a_100000709357_100000211751 [0,0,0,0,0,0|3,0,1]=4 1257 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,0,0,0,0,0|4,0,0]=4 1258 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,0,0,0,0,0|3,0,0]=3 1259 B11R0.148 COCCNCCCOC(=S)C 2230a_100000209980_200135323944 [0,0,0,0,0,0|2,1,0]=3 1260 B11R0.148 COCCNCCCOC(C)C 2230a_100000737246_100011201679 [0,0,0,0,0,0|3,0,1]=4 1261 B11R0.148 COCCNCCCOC(C)C 34a_100000737246_100011201679 [0,0,0,0,0,0|3,0,1]=4 1262 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,0,0,0,0,0|2,1,0]=3 1263 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,0,0,0,0,0|3,0,0]=3 1264 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,0,0,0,0,0|4,0,0]=4 1265 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,0,0,0,0,0|4,0,0]=4 1266 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,0,0,0,0,0|3,0,0]=3 1267 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,0,0,0,0,0|3,0,0]=3 1268 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,0,0,0,0,0|3,0,0]=3 1269 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,0,0,0,0,0|2,0,0]=2 1270 B11R0.148 COCCOCCCOC(=S)C 34a_100000210237_200135323944 [0,0,0,0,0,0|2,1,0]=3 1271 B11R0.148 COCCOCCCOC(C)C 34a_100000212225_100011216529 [0,0,0,0,0,0|3,0,1]=4 1272 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,0,0,0,0,0|2,1,0]=3 1273 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,0,0,0,0,0|4,0,0]=4 1274 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,0,0,0,0,0|4,0,0]=4 1275 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,0,0,0,0,0|4,0,0]=4 1276 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,0,0,0,0,0|4,0,0]=4 1277 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,0,0,0,0,0|4,0,0]=4 1278 B11R0.148 COCCOCSCOC(=O)C 62a_100000076356_100000231047 [0,0,0,0,0,0|3,0,0]=3 1279 B11R0.148 COCCOCSCOC(=O)C 62a_100000231047_100000076356 [0,0,0,0,0,0|3,0,0]=3 1280 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,0,0,0,0,0|3,0,0]=3 1281 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,0,0,0,0,0|3,0,0]=3 1282 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,0,0,0,0,0|2,0,0]=2 1283 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,0,0,0,0,0|2,0,0]=2 1284 B11R0.148 COCCSCCCOC(=S)C 62a_100000233755_200135323944 [0,0,0,0,0,0|2,1,0]=3 1285 B11R0.148 COCCSCCCOC(=S)C 62a_200135323944_100000233755 [0,0,0,0,0,0|2,1,0]=3 1286 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,0,0,0,0,0|2,1,0]=3 1287 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,0,0,0,0,0|2,1,0]=3 1288 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,0,0,0,0,0|3,0,0]=3 1289 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,0,0,0,0,0|4,0,0]=4 1290 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,0,0,0,0,0|4,0,0]=4 1291 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,0,0,0,0,0|2,0,0]=2 1292 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,0,0,0,0,0|2,0,0]=2 1293 B11R0.148 COCSCCCCO[N+](=O)[O-] 62a_100000766300_100015694321 [0,0,0,0,0,0|4,0,0]=4 1294 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,0,0,0,0,0|2,1,0]=3 1295 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,0,0,0,0,0|2,1,0]=3 1296 B11R0.148 COCSCOCCOC(=O)C 62a_100000076355_100000766300 [0,0,0,0,0,0|3,0,0]=3 1297 B11R0.148 COCSCOCCOC(=O)C 62a_100000766300_100000076355 [0,0,0,0,0,0|3,0,0]=3 1298 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,0,0,0,0,0|4,0,0]=4 1299 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,0,0,0,0,0|4,0,0]=4 1300 B11R0.148 CSCCCCOCC=C(C)C 34a_100011217163_100000761012 [0,0,0,0,0,0|4,0,0]=4 1301 B11R0.148 CSCCCCOCC=C(C)C 7a_100011217163_100000761012 [0,0,0,0,0,0|4,0,0]=4 1302 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,0,0,0,0,0|3,0,0]=3 1303 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,0,0,0,0,0|4,0,0]=4 1304 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,0,0,0,0,0|4,0,0]=4 1305 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,0,0,0,0,0|2,0,0]=2 1306 B11R0.148 CSCCCCOCOC(C)C 34a_100011217163_100000709892 [0,0,0,0,0,0|3,0,1]=4 1307 B11R0.148 CSCCCNCCC=C(C)C 2230a_100000749238_100011217483 [0,0,0,0,0,0|4,0,0]=4 1308 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,0,0,0,0,0|3,0,0]=3 1309 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,0,0,0,0,0|4,0,0]=4 1310 B11R0.148 CSCCCNCCOC(C)C 2230a_100000749238_100000211751 [0,0,0,0,0,0|3,0,1]=4 1311 B11R0.148 CSCCCOCCC=C(C)C 34a_100000690336_100011217483 [0,0,0,0,0,0|4,0,0]=4 1312 B11R0.148 CSCCCOCCC=C(C)C 7a_100000690336_100011217483 [0,0,0,0,0,0|4,0,0]=4 1313 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,0,0,0,0,0|3,0,0]=3 1314 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,0,0,0,0,0|3,0,0]=3 1315 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,0,0,0,0,0|4,0,0]=4 1316 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,0,0,0,0,0|4,0,0]=4 1317 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,0,0,0,0,0|3,0,0]=3 1318 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,0,0,0,0,0|4,0,0]=4 1319 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,0,0,0,0,0|2,0,0]=2 1320 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,0,0,0,0,0|2,0,0]=2 1321 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,0,0,0,0,0|3,0,0]=3 1322 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,0,0,0,0,0|3,0,0]=3 1323 B11R0.148 CSCCCOCCOC(C)C 34a_100000690336_100000211751 [0,0,0,0,0,0|3,0,1]=4 1324 B11R0.148 CSCCCOCCOC(C)C 7a_100000690336_100000211751 [0,0,0,0,0,0|3,0,1]=4 1325 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,0,0,0,0,0|4,0,0]=4 1326 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,0,0,0,0,0|3,0,0]=3 1327 B11R0.148 CSCCNCCCOC(=S)C 2230a_100020590264_200135323944 [0,0,0,0,0,0|2,1,0]=3 1328 B11R0.148 CSCCNCCCOC(C)C 2230a_100000737246_100000751147 [0,0,0,0,0,0|3,0,1]=4 1329 B11R0.148 CSCCNCCCOC(C)C 34a_100000737246_100000212216 [0,0,0,0,0,0|3,0,1]=4 1330 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,0,0,0,0,0|2,1,0]=3 1331 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,0,0,0,0,0|3,0,0]=3 1332 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,0,0,0,0,0|3,0,0]=3 1333 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,0,0,0,0,0|4,0,0]=4 1334 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,0,0,0,0,0|4,0,0]=4 1335 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,0,0,0,0,0|3,0,0]=3 1336 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,0,0,0,0,0|2,0,0]=2 1337 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,0,0,0,0,0|2,0,0]=2 1338 B11R0.148 CSCCOCCCOC(=S)C 34a_100000230434_200135323944 [0,0,0,0,0,0|2,1,0]=3 1339 B11R0.148 CSCCOCCCOC(=S)C 7a_100000230434_200135323944 [0,0,0,0,0,0|2,1,0]=3 1340 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,0,0,0,0,0|2,1,0]=3 1341 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,0,0,0,0,0|2,1,0]=3 1342 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,0,0,0,0,0|3,0,0]=3 1343 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,0,0,0,0,0|3,0,0]=3 1344 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,0,0,0,0,0|2,0,0]=2 1345 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,0,0,0,0,0|2,0,0]=2 1346 B11R0.148 CSCCSCCCOC(=S)C 62a_100000212216_200135323944 [0,0,0,0,0,0|2,1,0]=3 1347 B11R0.148 CSCCSCCCOC(=S)C 62a_200135323944_100000751147 [0,0,0,0,0,0|2,1,0]=3 1348 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,0,0,0,0,0|2,1,0]=3 1349 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,0,0,0,0,0|2,1,0]=3 1350 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,0,0,0,0,0|3,0,0]=3 1351 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,0,0,0,0,0|3,0,0]=3 1352 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,0,0,0,0,0|4,0,0]=4 1353 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,0,0,0,0,0|2,0,0]=2 1354 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,0,0,0,0,0|4,0,0]=4 1355 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,0,0,0,0,0|4,0,0]=4 1356 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,0,0,0,0,0|2,0,0]=2 1357 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,0,0,0,0,0|2,0,0]=2 1358 B11R0.148 CSCSCCCCO[N+](=O)[O-] 62a_100011218213_100015694321 [0,0,0,0,0,0|4,0,0]=4 1359 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,0,0,0,0,0|2,1,0]=3 1360 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,0,0,0,0,0|2,1,0]=3 1361 B11R0.148 CSCSCOCCOC(=O)C 62a_100000076355_100011218213 [0,0,0,0,0,0|3,0,0]=3 1362 B11R0.148 CSCSCOCCOC(=O)C 62a_100011218213_100000076355 [0,0,0,0,0,0|3,0,0]=3 1363 B11R0.148 N#CCCCOCCOC(=O)N 7a_100000766696_100000687738 [0,0,0,0,0,0|3,0,1]=4 1364 B11R0.148 N#CCCCSCCOC(=O)N 62a_100000687738_200011214921 [0,0,0,0,0,0|3,0,1]=4 1365 B11R0.148 N#CCCCSCCOC(=O)N 62a_200011214921_100000687738 [0,0,0,0,0,0|3,0,1]=4 1366 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,0,0,0,0,0|4,0,0]=4 1367 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,0,0,0,0,0|4,0,0]=4 1368 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,0,0,0,0,0|4,0,0]=4 1369 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,0,0,0,0,0|4,0,0]=4 1370 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,0,0,0,0,0|4,0,0]=4 1371 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,0,0,0,0,0|4,0,0]=4 1372 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,0,0,0,0,0|4,0,0]=4 1373 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,0,0,0,0,0|4,0,0]=4 1374 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,0,0,0,0,0|4,0,0]=4 1375 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,0,0,0,0,0|4,0,0]=4 1376 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,0,0,0,0,0|4,0,0]=4 1377 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,0,0,0,0,0|4,0,0]=4 1378 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,0,0,0,0,0|4,0,0]=4 1379 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,0,0,0,0,0|4,0,0]=4 1380 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,0,0,0,0,0|4,0,0]=4 1381 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,0,0,0,0,0|4,0,0]=4 1382 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,0,0,0,0,0|4,0,0]=4 1383 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,0,0,0,0,0|4,0,0]=4 1384 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,0,0,0,0,0|4,0,0]=4 1385 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,0,0,0,0,0|4,0,0]=4 1386 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,0,0,0,0,0|4,0,0]=4 1387 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,0,0,0,0,0|4,0,0]=4 1388 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,0,0,0,0,0|4,0,0]=4 1389 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,0,0,0,0,0|4,0,0]=4 1390 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,0,0,0,0,0|4,0,0]=4 1391 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,0,0,0,0,0|4,0,0]=4 1392 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,0,0,0,0,0|4,0,0]=4 1393 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,0,0,0,0,0|4,0,0]=4 1394 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,0,0,0,0,0|4,0,0]=4 1395 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,0,0,0,0,0|4,0,0]=4 1396 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,0,0,0,0,0|4,0,0]=4 1397 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,0,0,0,0,0|4,0,0]=4 1398 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,0,0,0,0,0|4,0,0]=4 1399 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,0,0,0,0,0|4,0,0]=4 1400 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,0,0,0,0,0|4,0,0]=4 1401 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,0,0,0,0,0|4,0,0]=4 1402 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,0,0,0,0,0|4,0,0]=4 1403 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,0,0,0,0,0|4,0,0]=4 1404 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,0,0,0,0,0|4,0,0]=4 1405 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,0,0,0,0,0|4,0,0]=4 1406 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,0,0,0,0,0|4,0,0]=4 1407 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,0,0,0,0,0|4,0,0]=4 1408 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,0,0,0,0,0|4,0,0]=4 1409 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,0,0,0,0,0|4,0,0]=4 1410 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,0,0,0,0,0|4,0,0]=4 1411 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,0,0,0,0,0|4,0,0]=4 1412 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,0,0,0,0,0|4,0,0]=4 1413 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,0,0,0,0,0|4,0,0]=4 1414 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,0,0,0,0,0|4,0,0]=4 1415 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,0,0,0,0,0|4,0,0]=4 1416 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,0,0,0,0,0|4,0,0]=4 1417 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,0,0,0,0,0|4,0,0]=4 1418 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,0,0,0,0,0|4,0,0]=4 1419 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,0,0,0,0,0|4,0,0]=4 1420 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,0,0,0,0,0|4,0,0]=4 1421 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,0,0,0,0,0|4,0,0]=4 1422 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,0,0,0,0,0|4,0,0]=4 1423 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,0,0,0,0,0|4,0,0]=4 1424 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,0,0,0,0,0|4,0,0]=4 1425 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,0,0,0,0,0|4,0,0]=4 1426 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,0,0,0,0,0|4,0,0]=4 1427 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,0,0,0,0,0|4,0,0]=4 1428 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,0,0,0,0,0|4,0,0]=4 1429 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,0,0,0,0,0|4,0,0]=4 1430 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,0,0,0,0,0|4,0,0]=4 1431 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,0,0,0,0,0|4,0,0]=4 1432 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,0,0,0,0,0|4,0,0]=4 1433 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,0,0,0,0,0|4,0,0]=4 1434 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,0,0,0,0,0|4,0,0]=4 1435 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,0,0,0,0,0|4,0,0]=4 1436 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,0,0,0,0,0|4,0,0]=4 1437 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,0,0,0,0,0|4,0,0]=4 1438 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,0,0,0,0,0|3,0,0]=3 1439 B11R0.148 NC(=O)OCCOCCCC=O 7a_100000766696_200011292268 [0,0,0,0,0,0|3,0,1]=4 1440 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,0,0,0,0,0|3,0,0]=3 1441 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,0,0,0,0,0|3,0,0]=3 1442 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,0,0,0,0,0|3,0,0]=3 1443 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,0,0,0,0,0|3,0,0]=3 1444 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,0,0,0,0,0|3,0,0]=3 1445 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,0,0,0,0,0|3,0,0]=3 1446 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,0,0,0,0,0|3,0,0]=3 1447 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,0,0,0,0,0|3,0,0]=3 1448 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011214921_200011292268 [0,0,0,0,0,0|3,0,1]=4 1449 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011292268_200011214921 [0,0,0,0,0,0|3,0,1]=4 1450 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,0,0,0,0,0|3,0,0]=3 1451 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,0,0,0,0,0|3,0,0]=3 1452 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,0,0,0,0,0|3,0,0]=3 1453 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,0,0,0,0,0|3,0,0]=3 1454 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,0,0,0,0,0|4,0,0]=4 1455 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,0,0,0,0,0|4,0,0]=4 1456 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,0,0,0,0,0|4,0,0]=4 1457 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,0,0,0,0,0|4,0,0]=4 1458 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,0,0,0,0,0|3,0,0]=3 1459 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,0,0,0,0,0|4,0,0]=4 1460 B11R0.148 NCCOCCCCO[N+](=O)[O-] 34a_100000210304_100015694321 [0,0,0,0,0,0|4,0,0]=4 1461 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,0,0,0,0,0|4,0,0]=4 1462 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,0,0,0,0,0|4,0,0]=4 1463 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,0,0,0,0,0|4,0,0]=4 1464 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,0,0,0,0,0|4,0,0]=4 1465 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,0,0,0,0,0|4,0,0]=4 1466 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,0,0,0,0,0|4,0,0]=4 1467 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,0,0,0,0,0|4,0,0]=4 1468 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,0,0,0,0,0|4,0,0]=4 1469 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,0,0,0,0,0|4,0,0]=4 1470 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,0,0,0,0,0|4,0,0]=4 1471 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,0,0,0,0,0|4,0,0]=4 1472 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,0,0,0,0,0|4,0,0]=4 1473 B11R0.148 O=[N+]([O-])OCCCCNCCF 34a_100000724931_100015694321 [0,0,0,0,0,0|4,0,0]=4 1474 B11R0.148 O=[N+]([O-])OCCCCNCCO 34a_100016990907_100015694321 [0,0,0,0,0,0|4,0,0]=4 1475 B11R0.148 O=[N+]([O-])OCCCCOCCBr 34a_100000211926_100015694321 [0,0,0,0,0,0|4,0,0]=4 1476 B11R0.148 O=[N+]([O-])OCCCCSCCF 62a_100011217306_100015694321 [0,0,0,0,0,0|4,0,0]=4 1477 B11R0.148 O=[N+]([O-])OCCCCSCCO 62a_100000211926_100015694321 [0,0,0,0,0,0|4,0,0]=4 1478 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,0,0,0,0,0|4,0,0]=4 1479 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,0,0,0,0,0|0,0,2]=3 1480 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,0,0,0,0,0|0,0,2]=3 1481 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,0,0,0,0,0|0,0,2]=3 1482 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [1,0,0,0,0,0|1,0,2]=4 1483 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [1,0,0,0,0,0|1,0,2]=4 1484 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [1,0,0,0,0,0|1,0,2]=4 1485 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [1,0,0,0,0,0|1,0,2]=4 1486 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [1,0,0,0,0,0|1,0,2]=4 1487 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [1,0,0,0,0,0|1,0,2]=4 1488 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [1,0,0,0,0,0|1,0,2]=4 1489 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [1,0,0,0,0,0|1,0,2]=4 1490 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [1,0,0,0,0,0|1,0,2]=4 1491 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [1,0,0,0,0,0|1,0,2]=4 1492 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [1,0,0,0,0,0|1,0,2]=4 1493 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [1,0,0,0,0,0|1,0,2]=4 1494 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [1,0,0,0,0,0|1,0,2]=4 1495 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [1,0,0,0,0,0|1,0,2]=4 1496 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [1,0,0,0,0,0|1,0,2]=4 1497 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [1,0,0,0,0,0|1,0,2]=4 1498 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [1,0,0,0,0,0|1,0,2]=4 1499 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [1,0,0,0,0,0|1,0,2]=4 1500 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [1,0,0,0,0,0|1,0,2]=4 1501 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [1,0,0,0,0,0|1,0,2]=4 1502 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [1,0,0,0,0,0|1,0,2]=4 1503 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [1,0,0,0,0,0|1,0,2]=4 1504 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [1,0,0,0,0,0|1,0,2]=4 1505 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [1,0,0,0,0,0|1,0,2]=4 1506 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [1,0,0,0,0,0|1,0,2]=4 1507 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [1,0,0,0,0,0|1,0,2]=4 1508 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [1,0,0,0,0,0|1,0,2]=4 1509 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [1,0,0,0,0,0|1,0,2]=4 1510 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [1,0,0,0,0,0|1,0,2]=4 1511 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [1,0,0,0,0,0|1,0,2]=4 1512 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [1,0,0,0,0,0|1,0,2]=4 1513 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [1,0,0,0,0,0|1,0,2]=4 1514 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [1,0,0,0,0,0|1,0,2]=4 1515 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [1,0,0,0,0,0|1,0,2]=4 1516 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [1,0,0,0,0,0|1,0,2]=4 1517 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,0,0,0,0,0|2,0,1]=4 1518 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,0,0,0,0,0|2,0,0]=3 1519 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 1520 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 1521 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [1,0,0,0,0,0|3,0,0]=4 1522 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [1,0,0,0,0,0|3,0,0]=4 1523 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [1,0,0,0,0,0|3,0,0]=4 1524 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [1,0,0,0,0,0|3,0,0]=4 1525 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [1,0,0,0,0,0|3,0,0]=4 1526 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [1,0,0,0,0,0|3,0,0]=4 1527 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,0,0,0,0,0|2,0,0]=3 1528 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,0,0,0,0,0|2,0,0]=3 1529 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,0,0,0,0,0|2,0,0]=3 1530 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 1531 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 1532 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [1,0,0,0,0,0|3,0,0]=4 1533 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [1,0,0,0,0,0|3,0,0]=4 1534 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [1,0,0,0,0,0|3,0,0]=4 1535 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [1,0,0,0,0,0|3,0,0]=4 1536 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 1537 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,0,0,0,0,0|3,0,0]=4 1538 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [1,0,0,0,0,0|3,0,0]=4 1539 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [1,0,0,0,0,0|3,0,0]=4 1540 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [1,0,0,0,0,0|3,0,0]=4 1541 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [1,0,0,0,0,0|3,0,0]=4 1542 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [1,0,0,0,0,0|3,0,0]=4 1543 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [1,0,0,0,0,0|3,0,0]=4 1544 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [1,0,0,0,0,0|3,0,0]=4 1545 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [1,0,0,0,0,0|3,0,0]=4 1546 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [1,0,0,0,0,0|3,0,0]=4 1547 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [1,0,0,0,0,0|3,0,0]=4 1548 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [1,0,0,0,0,0|3,0,0]=4 1549 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,0,0,0,0,0|2,0,0]=3 1550 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,0,0,0,0,0|2,0,0]=3 1551 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [1,0,0,0,0,0|3,0,0]=4 1552 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [1,0,0,0,0,0|3,0,0]=4 1553 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 1554 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,0,0,0,0,0|3,0,0]=4 1555 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [1,0,0,0,0,0|3,0,0]=4 1556 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [1,0,0,0,0,0|3,0,0]=4 1557 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [1,0,0,0,0,0|3,0,0]=4 1558 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [1,0,0,0,0,0|3,0,0]=4 1559 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [1,0,0,0,0,0|3,0,0]=4 1560 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [1,0,0,0,0,0|3,0,0]=4 1561 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,0,0,0,0,0|2,0,0]=3 1562 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 1563 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 1564 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [1,0,0,0,0,0|3,0,0]=4 1565 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [1,0,0,0,0,0|3,0,0]=4 1566 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [1,0,0,0,0,0|3,0,0]=4 1567 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [1,0,0,0,0,0|3,0,0]=4 1568 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [1,0,0,0,0,0|3,0,0]=4 1569 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,0,0,0,0,0|3,0,0]=4 1570 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,0,0,0,0,0|3,0,0]=4 1571 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,0,0,0,0,0|2,0,0]=3 1572 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,0,0,0,0,0|2,0,0]=3 1573 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,0,0,0,0,0|2,0,0]=3 1574 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,0,0,0,0,0|3,0,0]=4 1575 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,0,0,0,0,0|3,0,0]=4 1576 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,0,0,0,0,0|3,0,0]=4 1577 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,0,0,0,0,0|3,0,0]=4 1578 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,0,0,0,0,0|3,0,0]=4 1579 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 1580 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,0,0,0,0,0|3,0,0]=4 1581 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,0,0,0,0,0|3,0,0]=4 1582 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,0,0,0,0,0|3,0,0]=4 1583 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,0,0,0,0,0|3,0,0]=4 1584 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,0,0,0,0,0|3,0,0]=4 1585 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,0,0,0,0,0|3,0,0]=4 1586 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,0,0,0,0,0|3,0,0]=4 1587 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,0,0,0,0,0|3,0,0]=4 1588 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,0,0,0,0,0|3,0,0]=4 1589 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,0,0,0,0,0|3,0,0]=4 1590 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,0,0,0,0,0|3,0,0]=4 1591 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,0,0,0,0,0|3,0,0]=4 1592 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,0,0,0,0,0|3,0,0]=4 1593 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,0,0,0,0,0|3,0,0]=4 1594 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,0,0,0,0,0|3,0,0]=4 1595 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,0,0,0,0,0|3,0,0]=4 1596 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,0,0,0,0,0|2,0,0]=3 1597 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,0,0,0,0,0|2,0,0]=3 1598 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [1,0,0,0,0,0|3,0,0]=4 1599 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [1,0,0,0,0,0|3,0,0]=4 1600 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,0,0,0,0,0|3,0,0]=4 1601 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,0,0,0,0,0|3,0,0]=4 1602 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [1,0,0,0,0,0|3,0,0]=4 1603 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [1,0,0,0,0,0|3,0,0]=4 1604 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [1,0,0,0,0,0|3,0,0]=4 1605 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [1,0,0,0,0,0|3,0,0]=4 1606 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [1,0,0,0,0,0|3,0,0]=4 1607 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [1,0,0,0,0,0|3,0,0]=4 1608 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [1,0,0,0,0,0|3,0,0]=4 1609 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [1,0,0,0,0,0|3,0,0]=4 1610 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,0,0,0,0,0|2,0,1]=4 1611 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,0,0,0,0,0|2,0,1]=4 1612 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,0,0,0,0,0|2,0,1]=4 1613 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,0,0,0,0,0|2,0,1]=4 1614 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,0,0,0,0,0|2,0,1]=4 1615 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,0,0,0,0,0|2,0,1]=4 1616 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,0,0,0,0,0|0,0,2]=3 1617 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,0,0,0,0,0|0,0,2]=3 1618 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,0,0,0,0,0|0,0,2]=3 1619 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,0,0,0,0,0|1,0,2]=4 1620 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [1,0,0,0,0,0|1,0,2]=4 1621 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1622 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,0,0,0,0,0|1,0,2]=4 1623 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1624 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [1,0,0,0,0,0|1,0,2]=4 1625 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,0,0,0,0,0|1,0,2]=4 1626 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,0,0,0,0,0|1,0,2]=4 1627 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [1,0,0,0,0,0|1,0,2]=4 1628 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [1,0,0,0,0,0|1,0,2]=4 1629 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,0,0,0,0,0|1,0,2]=4 1630 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,0,0,0,0,0|1,0,2]=4 1631 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,0,0,0,0,0|1,0,2]=4 1632 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [1,0,0,0,0,0|1,0,2]=4 1633 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,0,0,0,0,0|1,0,2]=4 1634 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,0,0,0,0,0|1,0,2]=4 1635 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [1,0,0,0,0,0|1,0,2]=4 1636 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [1,0,0,0,0,0|1,0,2]=4 1637 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,0,0,0,0,0|1,0,2]=4 1638 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [1,0,0,0,0,0|1,0,2]=4 1639 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,0,0,0,0,0|1,0,2]=4 1640 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,0,0,0,0,0|1,0,2]=4 1641 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [1,0,0,0,0,0|1,0,2]=4 1642 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [1,0,0,0,0,0|1,0,2]=4 1643 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [1,0,0,0,0,0|1,0,2]=4 1644 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [1,0,0,0,0,0|1,0,2]=4 1645 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [1,0,0,0,0,0|1,0,2]=4 1646 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [1,0,0,0,0,0|1,0,2]=4 1647 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [1,0,0,0,0,0|1,0,2]=4 1648 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [1,0,0,0,0,0|1,0,2]=4 1649 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [1,0,0,0,0,0|1,0,2]=4 1650 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [1,0,0,0,0,0|1,0,2]=4 1651 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [1,0,0,0,0,0|1,0,2]=4 1652 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [1,0,0,0,0,0|1,0,2]=4 1653 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [1,0,0,0,0,0|1,0,2]=4 1654 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,0,0,0,0,0|1,0,1]=3 1655 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|1,0,0]=2 1656 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|1,0,0]=2 1657 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [1,0,0,0,0,0|3,0,0]=4 1658 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,0,0,0,0,0|2,0,0]=3 1659 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,0,0,0,0,0|2,0,0]=3 1660 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,0,0,0,0,0|2,0,0]=3 1661 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,0,0,0,0,0|2,0,0]=3 1662 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [1,0,0,0,0,0|2,0,1]=4 1663 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [1,0,0,0,0,0|2,0,1]=4 1664 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,0,0,0,0,0|2,0,1]=4 1665 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,0,0,0,0,0|2,0,1]=4 1666 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,0,0,0,0,0|2,0,0]=3 1667 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,0,0,0,0,0|2,0,0]=3 1668 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,0,0,0,0,0|2,0,0]=3 1669 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,0,0,0,0,0|2,0,0]=3 1670 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|2,0,0]=3 1671 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [1,0,0,0,0,0|2,0,1]=4 1672 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|2,0,0]=3 1673 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|2,0,0]=3 1674 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|2,0,0]=3 1675 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|2,0,0]=3 1676 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|2,0,0]=3 1677 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|2,0,0]=3 1678 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|2,0,0]=3 1679 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|2,0,0]=3 1680 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [1,0,0,0,0,0|3,0,0]=4 1681 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [1,0,0,0,0,0|2,0,1]=4 1682 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [1,0,0,0,0,0|2,0,1]=4 1683 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|2,0,0]=3 1684 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|2,0,0]=3 1685 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|2,0,0]=3 1686 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|2,0,0]=3 1687 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [1,0,0,0,0,0|2,0,1]=4 1688 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1689 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|2,0,0]=3 1690 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1691 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1692 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|2,0,0]=3 1693 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|2,0,0]=3 1694 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|2,0,0]=3 1695 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [1,0,0,0,0,0|2,0,1]=4 1696 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [1,0,0,0,0,0|2,0,1]=4 1697 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,0,0,0,0,0|2,0,1]=4 1698 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,0,0,0,0,0|2,0,1]=4 1699 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|2,0,0]=3 1700 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|2,0,0]=3 1701 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|2,0,0]=3 1702 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|2,0,0]=3 1703 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|2,0,0]=3 1704 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|2,0,0]=3 1705 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [1,0,0,0,0,0|3,0,0]=4 1706 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [1,0,0,0,0,0|3,0,0]=4 1707 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 1708 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 1709 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 1710 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [1,0,0,0,0,0|2,0,1]=4 1711 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|2,0,0]=3 1712 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|2,0,0]=3 1713 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,0,0,0,0,0|2,0,0]=3 1714 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,0,0,0,0,0|2,0,0]=3 1715 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,0,0,0,0,0|3,0,0]=4 1716 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [1,0,0,0,0,0|3,0,0]=4 1717 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,0,0,0,0,0|3,0,0]=4 1718 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [1,0,0,0,0,0|3,0,0]=4 1719 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,0,0,0,0,0|3,0,0]=4 1720 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [1,0,0,0,0,0|3,0,0]=4 1721 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [1,0,0,0,0,0|3,0,0]=4 1722 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,0,0,0,0,0|3,0,0]=4 1723 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,0,0,0,0,0|3,0,0]=4 1724 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,0,0,0,0,0|3,0,0]=4 1725 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [1,0,0,0,0,0|3,0,0]=4 1726 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [1,0,0,0,0,0|3,0,0]=4 1727 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,0,0,0,0,0|3,0,0]=4 1728 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,0,0,0,0,0|3,0,0]=4 1729 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,0,0,0,0,0|1,0,0]=2 1730 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,0,0,0,0,0|1,0,0]=2 1731 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [1,0,0,0,0,0|2,0,0]=3 1732 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [1,0,0,0,0,0|2,0,0]=3 1733 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [1,0,0,0,0,0|2,0,0]=3 1734 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [1,0,0,0,0,0|2,0,0]=3 1735 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,0,0,0,0,0|2,0,0]=3 1736 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,0,0,0,0,0|2,0,0]=3 1737 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,0,0,0,0,0|2,0,0]=3 1738 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,0,0,0,0,0|2,0,0]=3 1739 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [1,0,0,0,0,0|2,0,1]=4 1740 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [1,0,0,0,0,0|2,0,1]=4 1741 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [1,0,0,0,0,0|2,0,1]=4 1742 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [1,0,0,0,0,0|2,0,1]=4 1743 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,0,0,0,0,0|2,0,0]=3 1744 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,0,0,0,0,0|2,0,0]=3 1745 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,0,0,0,0,0|2,0,0]=3 1746 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,0,0,0,0,0|2,0,0]=3 1747 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,0,0,0,0,0|2,0,0]=3 1748 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,0,0,0,0,0|2,0,0]=3 1749 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,0,0,0,0,0|2,0,0]=3 1750 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,0,0,0,0,0|2,0,0]=3 1751 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,0,0,0,0,0|2,0,0]=3 1752 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [1,0,0,0,0,0|3,0,0]=4 1753 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,0,0,0,0,0|2,0,0]=3 1754 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,0,0,0,0,0|2,0,0]=3 1755 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [1,0,0,0,0,0|3,0,0]=4 1756 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [1,0,0,0,0,0|3,0,0]=4 1757 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [1,0,0,0,0,0|2,0,1]=4 1758 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [1,0,0,0,0,0|2,0,1]=4 1759 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,0,0,0,0,0|2,0,0]=3 1760 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,0,0,0,0,0|2,0,0]=3 1761 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,0,0,0,0,0|2,0,0]=3 1762 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,0,0,0,0,0|2,0,0]=3 1763 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,0,0,0,0,0|2,0,0]=3 1764 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [1,0,0,0,0,0|2,0,0]=3 1765 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [1,0,0,0,0,0|2,0,0]=3 1766 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [1,0,0,0,0,0|2,0,0]=3 1767 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [1,0,0,0,0,0|2,0,0]=3 1768 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [1,0,0,0,0,0|2,0,0]=3 1769 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [1,0,0,0,0,0|2,0,1]=4 1770 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [1,0,0,0,0,0|2,0,1]=4 1771 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [1,0,0,0,0,0|2,0,1]=4 1772 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [1,0,0,0,0,0|2,0,1]=4 1773 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [1,0,0,0,0,0|2,0,0]=3 1774 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [1,0,0,0,0,0|2,0,0]=3 1775 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,0,0,0,0,0|2,0,0]=3 1776 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,0,0,0,0,0|2,0,0]=3 1777 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [1,0,0,0,0,0|2,1,0]=4 1778 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [1,0,0,0,0,0|2,1,0]=4 1779 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [1,0,0,0,0,0|2,1,0]=4 1780 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,0,0,0,0,0|2,1,0]=4 1781 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,0,0,0,0,0|2,1,0]=4 1782 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [1,0,0,0,0,0|2,1,0]=4 1783 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [1,0,0,0,0,0|2,1,0]=4 1784 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [1,0,0,0,0,0|2,1,0]=4 1785 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [1,0,0,0,0,0|2,1,0]=4 1786 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,0,0,0,0,0|2,1,0]=4 1787 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,0,0,0,0,0|2,1,0]=4 1788 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [1,0,0,0,0,0|2,1,0]=4 1789 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [1,0,0,0,0,0|2,1,0]=4 1790 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [1,0,0,0,0,0|2,1,0]=4 1791 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [1,0,0,0,0,0|2,1,0]=4 1792 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [1,0,0,0,0,0|2,1,0]=4 1793 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [1,0,0,0,0,0|2,1,0]=4 1794 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [1,0,0,0,0,0|2,1,0]=4 1795 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [1,0,0,0,0,0|2,1,0]=4 1796 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [1,0,0,0,0,0|2,1,0]=4 1797 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,0,0,0,0,0|2,0,1]=4 1798 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,0,0,0,0,0|2,0,1]=4 1799 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,0,0,0,0,0|2,0,1]=4 1800 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,0,0,0,0,0|2,0,1]=4 1801 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,0,0,0,0,0|2,0,1]=4 1802 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,0,0,0,0,0|2,0,1]=4 1803 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,0,0,0,0,0|2,0,1]=4 1804 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,0,0,0,0,0|2,0,1]=4 1805 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,0,0,0,0,0|2,0,1]=4 1806 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,0,0,0,0,0|2,0,1]=4 1807 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,0,0,0,0,0|2,0,1]=4 1808 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,0,0,0,0,0|1,0,2]=4 1809 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1810 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1811 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [1,0,0,0,0,0|1,0,2]=4 1812 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,0,0,0,0,0|1,0,2]=4 1813 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,0,0,0,0,0|1,0,2]=4 1814 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [1,0,0,0,0,0|1,0,2]=4 1815 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [1,0,0,0,0,0|1,0,2]=4 1816 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [1,0,0,0,0,0|1,0,2]=4 1817 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [1,0,0,0,0,0|1,0,2]=4 1818 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [1,0,0,0,0,0|1,0,2]=4 1819 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [1,0,0,0,0,0|1,0,2]=4 1820 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [1,0,0,0,0,0|1,0,2]=4 1821 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [1,0,0,0,0,0|1,0,2]=4 1822 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1823 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1824 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [1,0,0,0,0,0|1,0,2]=4 1825 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [1,0,0,0,0,0|1,0,2]=4 1826 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [1,0,0,0,0,0|1,0,2]=4 1827 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [1,0,0,0,0,0|1,0,2]=4 1828 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [1,0,0,0,0,0|1,0,2]=4 1829 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|0,0,2]=3 1830 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|0,0,2]=3 1831 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|0,0,2]=3 1832 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,0,0,0,0,0|2,0,1]=4 1833 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|0,0,2]=3 1834 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|0,0,2]=3 1835 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|0,0,0]=1 1836 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|0,0,0]=1 1837 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|0,0,0]=1 1838 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,0,0,0,0,0|2,0,0]=3 1839 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,0,0,0,0,0|2,0,0]=3 1840 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,0,0,0,0,0|2,0,0]=3 1841 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,0,0,0,0,0|2,0,0]=3 1842 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,0,0,0,0,0|2,0,0]=3 1843 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,0,0,0,0,0|2,0,0]=3 1844 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 1845 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 1846 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 1847 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|1,0,0]=2 1848 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,0,0,0,0,0|2,0,1]=4 1849 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,0,0,0,0,0|2,0,1]=4 1850 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,0,0,0,0,0|2,0,1]=4 1851 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,0,0,0,0,0|1,0,1]=3 1852 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,0,0,0,0,0|1,0,1]=3 1853 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,0,0,0,0,0|1,0,1]=3 1854 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,0,0,0,0,0|1,1,1]=4 1855 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,0,0,0,0,0|1,1,1]=4 1856 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,0]=3 1857 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,0]=3 1858 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|2,0,0]=3 1859 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,0,0,0,0,0|2,0,1]=4 1860 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,0,0,0,0,0|2,0,1]=4 1861 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,0,0,0,0,0|2,0,1]=4 1862 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,0,0,0,0,0|2,0,1]=4 1863 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,0,0,0,0,0|1,0,2]=4 1864 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,0,0,0,0,0|1,0,2]=4 1865 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,0,0,0,0,0|1,0,2]=4 1866 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,0,0,0,0,0|1,0,2]=4 1867 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|1,0,0]=2 1868 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 1869 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 1870 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|2,0,0]=3 1871 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,0,0,0,0,0|2,0,1]=4 1872 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,0,0,0,0,0|2,0,1]=4 1873 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,0,0,0,0,0|2,0,1]=4 1874 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,0,0,0,0,0|2,0,1]=4 1875 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,0,0,0,0,0|2,0,1]=4 1876 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,0,0,0,0,0|1,0,2]=4 1877 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,0,0,0,0,0|1,0,2]=4 1878 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,0,0,0,0,0|2,0,1]=4 1879 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,0,0,0,0,0|2,0,1]=4 1880 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,0,0,0,0,0|1,0,2]=4 1881 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,0,0,0,0,0|1,0,2]=4 1882 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,0,0,0,0,0|3,0,0]=4 1883 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,0]=3 1884 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,0]=3 1885 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|2,0,0]=3 1886 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|2,0,0]=3 1887 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,0,0,0,0,0|2,0,1]=4 1888 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,0,0,0,0,0|2,0,1]=4 1889 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,0,0,0,0,0|1,0,2]=4 1890 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,0,0,0,0,0|1,0,2]=4 1891 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,0,0,0,0,0|1,0,2]=4 1892 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,0,0,0,0,0|1,0,2]=4 1893 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,0,0,0,0,0|3,0,0]=4 1894 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,0,0,0,0,0|2,0,1]=4 1895 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,0,0,0,0,0|2,0,1]=4 1896 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,0]=3 1897 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,0,0,0,0,0|2,0,1]=4 1898 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,0,0,0,0,0|2,0,1]=4 1899 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,0,0,0,0,0|1,0,2]=4 1900 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,0,0,0,0,0|1,0,2]=4 1901 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,0,0,0,0,0|2,0,1]=4 1902 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|3,0,0]=4 1903 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 1904 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,0,0,0,0,0|2,0,1]=4 1905 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 1906 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|1,0,0]=2 1907 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|1,0,0]=2 1908 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|1,0,0]=2 1909 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,0]=3 1910 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,0]=3 1911 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,0]=3 1912 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,0]=3 1913 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,0,0,0,0,0|2,0,1]=4 1914 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,0,0,0,0,0|2,0,1]=4 1915 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,0,0,0,0,0|2,0,1]=4 1916 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,0,0,0,0,0|2,0,1]=4 1917 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,0,0,0,0,0|2,0,1]=4 1918 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,0,0,0,0,0|1,0,2]=4 1919 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,0,0,0,0,0|1,0,2]=4 1920 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,0,0,0,0,0|3,0,0]=4 1921 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,0,0,0,0,0|2,0,1]=4 1922 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|1,0,0]=2 1923 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,0,0,0,0,0|2,0,1]=4 1924 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,0,0,0,0,0|2,0,1]=4 1925 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,0,0,0,0,0|2,0,1]=4 1926 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|1,0,0]=2 1927 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|1,0,0]=2 1928 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,0]=3 1929 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,0]=3 1930 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,0,0,0,0,0|2,0,1]=4 1931 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,0,0,0,0,0|2,0,1]=4 1932 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,0,0,0,0,0|1,0,2]=4 1933 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,0,0,0,0,0|1,0,2]=4 1934 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,0,0,0,0,0|3,0,0]=4 1935 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|1,0,0]=2 1936 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|1,0,0]=2 1937 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,0,0,0,0,0|2,0,1]=4 1938 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,0,0,0,0,0|2,0,1]=4 1939 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,0,0,0,0,0|2,0,1]=4 1940 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,0,0,0,0,0|2,0,1]=4 1941 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|1,0,0]=2 1942 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,0]=3 1943 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,0]=3 1944 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,0,0,0,0,0|2,0,1]=4 1945 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,0,0,0,0,0|2,0,1]=4 1946 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,0,0,0,0,0|2,0,1]=4 1947 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,0,0,0,0,0|2,0,1]=4 1948 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,0,0,0,0,0|1,0,2]=4 1949 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,0,0,0,0,0|1,0,2]=4 1950 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,0,0,0,0,0|3,0,0]=4 1951 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,0,0,0,0,0|2,0,0]=3 1952 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|2,0,0]=3 1953 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|2,0,0]=3 1954 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|2,0,0]=3 1955 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1956 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,0,0,0,0,0|3,0,0]=4 1957 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,0,0,0,0,0|3,0,0]=4 1958 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|1,0,0]=2 1959 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,0,0,0,0,0|2,0,0]=3 1960 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,0,0,0,0,0|2,0,1]=4 1961 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,0,0,0,0,0|2,0,1]=4 1962 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,0,0,0,0,0|2,0,1]=4 1963 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,0,0,0,0,0|2,0,1]=4 1964 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 1965 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 1966 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|1,0,0]=2 1967 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|1,0,0]=2 1968 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|1,0,0]=2 1969 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|1,0,0]=2 1970 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 1971 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 1972 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,0,0,0,0,0|2,0,1]=4 1973 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,0,0,0,0,0|2,0,1]=4 1974 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,0,0,0,0,0|2,0,1]=4 1975 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,0,0,0,0,0|2,0,1]=4 1976 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,0,0,0,0,0|1,0,2]=4 1977 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,0,0,0,0,0|1,0,2]=4 1978 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,0,0,0,0,0|3,0,0]=4 1979 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,0,0,0,0,0|3,0,0]=4 1980 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|2,0,0]=3 1981 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|2,0,0]=3 1982 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,0,0,0,0,0|3,0,0]=4 1983 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,0,0,0,0,0|3,0,0]=4 1984 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|1,0,0]=2 1985 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|1,0,0]=2 1986 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,0,0,0,0,0|2,0,0]=3 1987 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,0,0,0,0,0|2,0,0]=3 1988 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,0,0,0,0,0|2,0,0]=3 1989 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,0,0,0,0,0|2,0,1]=4 1990 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,0,0,0,0,0|2,0,1]=4 1991 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,0,0,0,0,0|2,0,1]=4 1992 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,0,0,0,0,0|2,0,1]=4 1993 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,0,0,0,0,0|2,0,1]=4 1994 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,0,0,0,0,0|2,0,1]=4 1995 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,0,0,0,0,0|2,0,1]=4 1996 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,0,0,0,0,0|3,0,0]=4 1997 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|3,0,0]=4 1998 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,0,0,0,0,0|2,0,0]=3 1999 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,0,0,0,0,0|3,0,0]=4 2000 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,0,0,0,0,0|3,0,0]=4 2001 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,0,0,0,0,0|3,0,0]=4 2002 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,0,0,0,0,0|3,0,0]=4 2003 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,0,0,0,0,0|2,0,1]=4 2004 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,0,0,0,0,0|2,0,1]=4 2005 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|1,0,0]=2 2006 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|1,0,0]=2 2007 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,0]=3 2008 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,0]=3 2009 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,0,0,0,0,0|2,0,1]=4 2010 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,0,0,0,0,0|2,0,1]=4 2011 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,0,0,0,0,0|1,0,2]=4 2012 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,0,0,0,0,0|1,0,2]=4 2013 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,0,0,0,0,0|3,0,0]=4 2014 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 2015 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 2016 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 2017 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|2,0,0]=3 2018 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|2,0,0]=3 2019 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|2,0,0]=3 2020 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,0,0,0,0,0|3,0,0]=4 2021 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,0,0,0,0,0|3,0,0]=4 2022 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|1,0,0]=2 2023 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|1,0,0]=2 2024 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,0,0,0,0,0|2,0,0]=3 2025 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,0,0,0,0,0|2,0,0]=3 2026 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,0,0,0,0,0|2,0,1]=4 2027 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,0,0,0,0,0|2,0,1]=4 2028 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,0,0,0,0,0|2,0,1]=4 2029 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,0,0,0,0,0|2,0,1]=4 2030 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,0]=3 2031 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,0,0,0,0,0|2,0,0]=3 2032 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,0,0,0,0,0|2,0,1]=4 2033 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,0,0,0,0,0|2,0,1]=4 2034 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|3,0,0]=4 2035 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|1,0,0]=2 2036 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 2037 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 2038 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,0,0,0,0,0|2,0,1]=4 2039 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,0,0,0,0,0|2,0,1]=4 2040 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,0,0,0,0,0|2,0,1]=4 2041 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,0,0,0,0,0|3,0,0]=4 2042 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,0,0,0,0,0|3,0,0]=4 2043 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,0,0,0,0,0|2,0,0]=3 2044 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,0,0,0,0,0|2,0,0]=3 2045 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,0,0,0,0,0|2,0,0]=3 2046 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,0,0,0,0,0|2,0,0]=3 2047 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,0,0,0,0,0|1,0,0]=2 2048 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [1,0,0,0,0,0|1,1,0]=3 2049 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,0,0,0,0,0|1,1,0]=3 2050 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,0,0,0,0,0|3,0,0]=4 2051 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,0,0,0,0,0|3,0,0]=4 2052 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,0,0,0,0,0|3,0,0]=4 2053 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|3,0,0]=4 2054 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,0,0,0,0,0|3,0,0]=4 2055 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,0,0,0,0,0|2,0,0]=3 2056 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,0,0,0,0,0|3,0,0]=4 2057 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 2058 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 2059 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,0,0,0,0,0|3,0,0]=4 2060 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,0,0,0,0,0|3,0,0]=4 2061 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,0,0,0,0,0|3,0,0]=4 2062 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,0,0,0,0,0|3,0,0]=4 2063 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,0,0,0,0,0|3,0,0]=4 2064 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|1,0,0]=2 2065 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|1,0,0]=2 2066 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,0,0,0,0,0|2,0,1]=4 2067 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,0,0,0,0,0|2,0,1]=4 2068 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,0,0,0,0,0|3,0,0]=4 2069 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,0,0,0,0,0|1,0,0]=2 2070 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,0,0,0,0,0|1,0,0]=2 2071 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [1,0,0,0,0,0|1,1,0]=3 2072 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [1,0,0,0,0,0|1,1,0]=3 2073 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,0,0,0,0,0|1,1,0]=3 2074 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,0,0,0,0,0|1,1,0]=3 2075 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,0,0,0,0,0|3,0,0]=4 2076 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 2077 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,0,0,0,0,0|3,0,0]=4 2078 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,0,0,0,0,0|3,0,0]=4 2079 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 2080 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,0,0,0,0,0|3,0,0]=4 2081 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,0]=3 2082 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,0,0,0,0,0|2,0,1]=4 2083 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,0,0,0,0,0|2,0,1]=4 2084 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,0,0,0,0,0|2,0,1]=4 2085 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,0,0,0,0,0|2,0,0]=3 2086 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,0,0,0,0,0|2,0,0]=3 2087 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,0,0,0,0,0|1,1,0]=3 2088 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 2089 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,0]=3 2090 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 2091 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|2,0,0]=3 2092 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,0,0,0,0,0|2,0,1]=4 2093 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,0,0,0,0,0|2,0,1]=4 2094 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,0,0,0,0,0|2,0,1]=4 2095 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,0,0,0,0,0|1,0,0]=2 2096 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,0,0,0,0,0|1,0,0]=2 2097 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,0,0,0,0,0|1,0,0]=2 2098 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [1,0,0,0,0,0|3,0,0]=4 2099 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,0,0,0,0,0|1,1,0]=3 2100 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,0,0,0,0,0|3,0,0]=4 2101 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,0,0,0,0,0|3,0,0]=4 2102 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,0,0,0,0,0|3,0,0]=4 2103 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|3,0,0]=4 2104 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,0,0,0,0,0|3,0,0]=4 2105 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,0,0,0,0,0|2,0,0]=3 2106 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 2107 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 2108 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,0,0,0,0,0|3,0,0]=4 2109 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,0,0,0,0,0|3,0,0]=4 2110 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,0,0,0,0,0|3,0,0]=4 2111 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,0,0,0,0,0|3,0,0]=4 2112 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,0,0,0,0,0|3,0,0]=4 2113 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,0,0,0,0,0|3,0,0]=4 2114 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,0,0,0,0,0|3,0,0]=4 2115 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,0,0,0,0,0|2,0,0]=3 2116 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,0,0,0,0,0|2,0,0]=3 2117 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,0,0,0,0,0|2,0,0]=3 2118 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,0,0,0,0,0|2,0,0]=3 2119 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,0,0,0,0,0|2,0,0]=3 2120 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,0,0,0,0,0|3,0,0]=4 2121 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,0,0,0,0,0|3,0,0]=4 2122 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,0,0,0,0,0|3,0,0]=4 2123 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,0,0,0,0,0|3,0,0]=4 2124 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,0,0,0,0,0|2,0,0]=3 2125 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,0,0,0,0,0|2,0,0]=3 2126 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,0,0,0,0,0|2,0,0]=3 2127 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,0,0,0,0,0|3,0,0]=4 2128 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,0,0,0,0,0|3,0,0]=4 2129 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,0,0,0,0,0|2,0,0]=3 2130 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,0,0,0,0,0|2,0,0]=3 2131 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,0,0,0,0,0|2,0,0]=3 2132 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,0,0,0,0,0|2,0,0]=3 2133 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,0,0,0,0,0|2,0,0]=3 2134 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,0,0,0,0,0|3,0,0]=4 2135 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,0,0,0,0,0|3,0,0]=4 2136 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [1,0,0,0,0,0|3,0,0]=4 2137 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [1,0,0,0,0,0|3,0,0]=4 2138 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,0,0,0,0,0|2,0,0]=3 2139 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,0,0,0,0,0|2,0,0]=3 2140 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [1,0,0,0,0,0|3,0,0]=4 2141 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [1,0,0,0,0,0|3,0,0]=4 2142 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,0]=3 2143 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,0]=3 2144 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,0,0,0,0,0|2,0,1]=4 2145 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,0,0,0,0,0|2,0,1]=4 2146 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,0,0,0,0,0|1,0,0]=2 2147 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,0,0,0,0,0|1,0,0]=2 2148 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [1,0,0,0,0,0|3,0,0]=4 2149 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,0,0,0,0,0|1,1,0]=3 2150 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,0,0,0,0,0|1,1,0]=3 2151 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 2152 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 2153 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,0,0,0,0,0|3,0,0]=4 2154 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,0,0,0,0,0|3,0,0]=4 2155 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,0,0,0,0,0|2,0,0]=3 2156 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,0,0,0,0,0|2,0,0]=3 2157 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,0,0,0,0,0|2,0,0]=3 2158 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,0,0,0,0,0|3,0,0]=4 2159 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 2160 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,0,0,0,0,0|3,0,0]=4 2161 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 2162 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,0,0,0,0,0|2,0,0]=3 2163 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,0,0,0,0,0|2,0,0]=3 2164 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,0,0,0,0,0|2,0,0]=3 2165 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,0,0,0,0,0|3,0,0]=4 2166 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,0,0,0,0,0|3,0,0]=4 2167 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,0,0,0,0,0|2,0,0]=3 2168 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,0,0,0,0,0|2,0,0]=3 2169 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,0,0,0,0,0|2,0,0]=3 2170 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,0,0,0,0,0|2,0,0]=3 2171 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,0,0,0,0,0|3,0,0]=4 2172 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,0,0,0,0,0|3,0,0]=4 2173 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,0,0,0,0,0|2,0,1]=4 2174 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,0,0,0,0,0|2,0,1]=4 2175 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,0,0,0,0,0|2,0,0]=3 2176 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,0,0,0,0,0|2,0,0]=3 2177 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,0,0,0,0,0|1,0,0]=2 2178 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,0,0,0,0,0|1,0,0]=2 2179 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,0,0,0,0,0|1,0,0]=2 2180 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [1,0,0,0,0,0|2,0,1]=4 2181 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,0,0,0,0,0|3,0,0]=4 2182 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,0,0,0,0,0|2,0,0]=3 2183 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,0,0,0,0,0|2,0,0]=3 2184 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,0,0,0,0,0|2,0,0]=3 2185 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,0,0,0,0,0|2,0,0]=3 2186 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|1,0,0]=2 2187 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,0,0,0,0,0|3,0,0]=4 2188 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,0,0,0,0,0|3,0,0]=4 2189 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 2190 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 2191 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 2192 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,0,0,0,0,0|2,0,0]=3 2193 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,0,0,0,0,0|1,0,0]=2 2194 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,0,0,0,0,0|3,0,0]=4 2195 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|3,0,0]=4 2196 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,0,0,0,0,0|2,0,0]=3 2197 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,0,0,0,0,0|3,0,0]=4 2198 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,0,0,0,0,0|3,0,0]=4 2199 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,0,0,0,0,0|3,0,0]=4 2200 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,0,0,0,0,0|3,0,0]=4 2201 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,0,0,0,0,0|3,0,0]=4 2202 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,0,0,0,0,0|3,0,0]=4 2203 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,0,0,0,0,0|3,0,0]=4 2204 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [1,0,0,0,0,0|2,0,0]=3 2205 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,0,0,0,0,0|2,0,0]=3 2206 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,0,0,0,0,0|2,0,0]=3 2207 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,0,0,0,0,0|3,0,0]=4 2208 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 2209 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 2210 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [1,0,0,0,0,0|2,0,0]=3 2211 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,0,0,0,0,0|2,0,0]=3 2212 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,0,0,0,0,0|2,0,0]=3 2213 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,0,0,0,0,0|3,0,0]=4 2214 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,0,0,0,0,0|3,0,0]=4 2215 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [1,0,0,0,0,0|2,0,0]=3 2216 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [1,0,0,0,0,0|2,0,0]=3 2217 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,0,0,0,0,0|3,0,0]=4 2218 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [1,0,0,0,0,0|3,0,0]=4 2219 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [1,0,0,0,0,0|3,0,0]=4 2220 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [1,0,0,0,0,0|3,0,0]=4 2221 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,0,0,0,0,0|2,0,0]=3 2222 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,0,0,0,0,0|2,0,0]=3 2223 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,0,0,0,0,0|2,0,0]=3 2224 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,0,0,0,0,0|2,0,0]=3 2225 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,0,0,0,0,0|3,0,0]=4 2226 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 2227 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 2228 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 2229 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,0,0,0,0,0|3,0,0]=4 2230 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,0,0,0,0,0|3,0,0]=4 2231 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,0,0,0,0,0|2,0,0]=3 2232 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,0,0,0,0,0|2,0,0]=3 2233 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [1,0,0,0,0,0|3,0,0]=4 2234 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [1,0,0,0,0,0|3,0,0]=4 2235 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,0,0,0,0,0|2,0,0]=3 2236 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,0,0,0,0,0|2,0,0]=3 2237 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,0,0,0,0,0|3,0,0]=4 2238 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,0,0,0,0,0|3,0,0]=4 2239 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [1,0,0,0,0,0|3,0,0]=4 2240 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [1,0,0,0,0,0|3,0,0]=4 2241 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,0,0,0,0,0|2,0,0]=3 2242 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,0,0,0,0,0|2,0,0]=3 2243 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [1,0,0,0,0,0|3,0,0]=4 2244 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [1,0,0,0,0,0|3,0,0]=4 2245 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,0,0,0,0,0|2,0,0]=3 2246 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,0,0,0,0,0|2,0,0]=3 2247 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,0,0,0,0,0|2,0,0]=3 2248 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,0,0,0,0,0|2,0,0]=3 2249 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [1,0,0,0,0,0|2,1,0]=4 2250 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [1,0,0,0,0,0|2,1,0]=4 2251 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [1,0,0,0,0,0|2,1,0]=4 2252 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [1,0,0,0,0,0|2,1,0]=4 2253 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [1,0,0,0,0,0|3,0,0]=4 2254 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,0,0,0,0,0|3,0,0]=4 2255 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,0,0,0,0,0|1,0,0]=2 2256 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,0,0,0,0,0|1,0,0]=2 2257 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 2258 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 2259 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,0,0,0,0,0|3,0,0]=4 2260 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,0,0,0,0,0|3,0,0]=4 2261 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,0,0,0,0,0|2,0,0]=3 2262 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,0,0,0,0,0|3,0,0]=4 2263 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,0,0,0,0,0|3,0,0]=4 2264 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [1,0,0,0,0,0|2,0,0]=3 2265 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,0,0,0,0,0|3,0,0]=4 2266 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [1,0,0,0,0,0|3,0,0]=4 2267 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [1,0,0,0,0,0|3,0,0]=4 2268 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [1,0,0,0,0,0|3,0,0]=4 2269 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,0,0,0,0,0|2,0,0]=3 2270 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,0,0,0,0,0|2,0,0]=3 2271 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,0,0,0,0,0|2,0,0]=3 2272 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,0,0,0,0,0|2,0,0]=3 2273 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 2274 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 2275 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,0,0,0,0,0|3,0,0]=4 2276 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,0,0,0,0,0|3,0,0]=4 2277 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,0,0,0,0,0|2,0,0]=3 2278 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,0,0,0,0,0|2,0,0]=3 2279 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,0,0,0,0,0|2,0,0]=3 2280 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,0,0,0,0,0|2,0,0]=3 2281 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [1,0,0,0,0,0|3,0,0]=4 2282 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [1,0,0,0,0,0|3,0,0]=4 2283 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [1,0,0,0,0,0|3,0,0]=4 2284 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,0,0,0,0,0|2,0,0]=3 2285 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,0,0,0,0,0|2,0,0]=3 2286 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,0,0,0,0,0|3,0,0]=4 2287 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,0,0,0,0,0|3,0,0]=4 2288 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [1,0,0,0,0,0|3,0,0]=4 2289 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [1,0,0,0,0,0|3,0,0]=4 2290 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,0,0,0,0,0|2,0,0]=3 2291 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,0,0,0,0,0|2,0,0]=3 2292 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [1,0,0,0,0,0|3,0,0]=4 2293 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [1,0,0,0,0,0|3,0,0]=4 2294 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,0,0,0,0,0|3,0,0]=4 2295 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [1,0,0,0,0,0|3,0,0]=4 2296 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,0,0,0,0,0|3,0,0]=4 2297 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [1,0,0,0,0,0|3,0,0]=4 2298 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,0,0,0,0,0|2,0,0]=3 2299 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,0,0,0,0,0|2,0,0]=3 2300 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,0,0,0,0,0|2,0,0]=3 2301 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,0,0,0,0,0|2,0,0]=3 2302 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [1,0,0,0,0,0|2,1,0]=4 2303 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [1,0,0,0,0,0|2,1,0]=4 2304 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [1,0,0,0,0,0|2,1,0]=4 2305 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [1,0,0,0,0,0|2,1,0]=4 2306 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 2307 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 2308 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,0,0,0,0,0|3,0,0]=4 2309 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,0,0,0,0,0|3,0,0]=4 2310 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,0,0,0,0,0|3,0,0]=4 2311 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,0,0,0,0,0|3,0,0]=4 2312 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 2313 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 2314 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 2315 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 2316 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,0,0,0,0,0|3,0,0]=4 2317 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,0,0,0,0,0|3,0,0]=4 2318 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,0,0,0,0,0|3,0,0]=4 2319 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|3,0,0]=4 2320 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|3,0,0]=4 2321 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|3,0,0]=4 2322 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,0,0,0,0,0|3,0,0]=4 2323 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,0,0,0,0,0|3,0,0]=4 2324 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,0,0,0,0,0|3,0,0]=4 2325 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,0,0,0,0,0|3,0,0]=4 2326 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|3,0,0]=4 2327 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 2328 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 2329 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 2330 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 2331 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 2332 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 2333 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 2334 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 2335 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 2336 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|3,0,0]=4 2337 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|3,0,0]=4 2338 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 2339 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 2340 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 2341 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|3,0,0]=4 2342 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,0,0,0,0,0|3,0,0]=4 2343 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,0,0,0,0,0|3,0,0]=4 2344 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,0,0,0,0,0|3,0,0]=4 2345 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 2346 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 2347 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 2348 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 2349 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 2350 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 2351 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 2352 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,0,0,0,0,0|3,0,0]=4 2353 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,0,0,0,0,0|3,0,0]=4 2354 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,0,0,0,0,0|3,0,0]=4 2355 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,0,0,0,0,0|3,0,0]=4 2356 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [1,0,0,0,0,0|3,0,0]=4 2357 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [1,0,0,0,0,0|3,0,0]=4 2358 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [1,0,0,0,0,0|3,0,0]=4 2359 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [1,0,0,0,0,0|3,0,0]=4 2360 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [1,0,0,0,0,0|3,0,0]=4 2361 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [1,0,0,0,0,0|3,0,0]=4 2362 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [1,0,0,0,0,0|3,0,0]=4 2363 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [1,0,0,0,0,0|3,0,0]=4 2364 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [1,0,0,0,0,0|3,0,0]=4 2365 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [1,0,0,0,0,0|3,0,0]=4 2366 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 2367 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,0,0,0,0,0|3,0,0]=4 2368 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 2369 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|3,0,0]=4 2370 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [1,0,0,0,0,0|3,0,0]=4 2371 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|3,0,0]=4 2372 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|3,0,0]=4 2373 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,0,0,0,0,0|3,0,0]=4 2374 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,0,0,0,0,0|3,0,0]=4 2375 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,0,0,0,0,0|3,0,0]=4 2376 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,0,0,0,0,0|3,0,0]=4 2377 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,0,0,0,0,0|3,0,0]=4 2378 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,0,0,0,0,0|3,0,0]=4 2379 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,0,0,0,0,0|3,0,0]=4 2380 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,0,0,0,0,0|3,0,0]=4 2381 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,0,0,0,0,0|3,0,0]=4 2382 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|1,0,0]=2 2383 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [1,0,0,0,0,0|3,0,0]=4 2384 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [1,0,0,0,0,0|3,0,0]=4 2385 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|0,0,3]=4 2386 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|0,0,3]=4 2387 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|0,0,3]=4 2388 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|2,0,0]=3 2389 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,0,0,0,0,0|3,0,0]=4 2390 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,0,0,0,0,0|3,0,0]=4 2391 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,0,0,0,0,0|3,0,0]=4 2392 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,0,0,0,0,0|3,0,0]=4 2393 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,0,0,0,0,0|3,0,0]=4 2394 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,0,0,0,0,0|3,0,0]=4 2395 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,0,0,0,0,0|3,0,0]=4 2396 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,0,0,0,0,0|3,0,0]=4 2397 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,0,0,0,0,0|3,0,0]=4 2398 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,0,0,0,0,0|3,0,0]=4 2399 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,0]=3 2400 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,0]=3 2401 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,0]=3 2402 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,0,0,0,0,0|3,0,0]=4 2403 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,0,0,0,0,0|3,0,0]=4 2404 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,0,0,0,0,0|3,0,0]=4 2405 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,0,0,0,0,0|3,0,0]=4 2406 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,0,0,0,0,0|3,0,0]=4 2407 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,0,0,0,0,0|3,0,0]=4 2408 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|3,0,0]=4 2409 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,0,0,0,0,0|3,0,0]=4 2410 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,0,0,0,0,0|3,0,0]=4 2411 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,0,0,0,0,0|3,0,0]=4 2412 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,0,0,0,0,0|3,0,0]=4 2413 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,0,0,0,0,0|3,0,0]=4 2414 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,0,0,0,0,0|3,0,0]=4 2415 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,0,0,0,0,0|3,0,0]=4 2416 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,0,0,0,0,0|3,0,0]=4 2417 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,0,0,0,0,0|3,0,0]=4 2418 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,0,0,0,0,0|3,0,0]=4 2419 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,0,0,0,0,0|3,0,0]=4 2420 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,0,0,0,0,0|3,0,0]=4 2421 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,0,0,0,0,0|3,0,0]=4 2422 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,0,0,0,0,0|3,0,0]=4 2423 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,0,0,0,0,0|3,0,0]=4 2424 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|2,0,0]=3 2425 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|2,0,0]=3 2426 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,0,0,0,0,0|3,0,0]=4 2427 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,0,0,0,0,0|3,0,0]=4 2428 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,0,0,0,0,0|3,0,0]=4 2429 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,0,0,0,0,0|3,0,0]=4 2430 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,0,0,0,0,0|3,0,0]=4 2431 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,0,0,0,0,0|3,0,0]=4 2432 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,0,0,0,0,0|3,0,0]=4 2433 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,0,0,0,0,0|3,0,0]=4 2434 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,0,0,0,0,0|3,0,0]=4 2435 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,0,0,0,0,0|3,0,0]=4 2436 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,0,0,0,0,0|3,0,0]=4 2437 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,0,0,0,0,0|3,0,0]=4 2438 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|2,0,1]=4 2439 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|2,0,1]=4 2440 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|2,0,1]=4 2441 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|2,0,1]=4 2442 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|2,0,1]=4 2443 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|2,0,1]=4 2444 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|2,0,1]=4 2445 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|2,0,1]=4 2446 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|2,0,1]=4 2447 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|2,0,1]=4 2448 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|2,0,1]=4 2449 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|2,0,1]=4 2450 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|2,0,1]=4 2451 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|0,0,3]=4 2452 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|0,0,3]=4 2453 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|0,0,3]=4 2454 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|2,0,1]=4 2455 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|2,0,1]=4 2456 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|2,0,1]=4 2457 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 2458 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|2,0,1]=4 2459 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|2,0,1]=4 2460 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|2,0,1]=4 2461 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|2,0,1]=4 2462 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|2,0,1]=4 2463 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|2,0,1]=4 2464 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|2,0,1]=4 2465 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 2466 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|2,0,1]=4 2467 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|2,0,1]=4 2468 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|2,0,1]=4 2469 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|2,0,1]=4 2470 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|2,0,1]=4 2471 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|2,0,1]=4 2472 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|2,0,1]=4 2473 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|2,0,1]=4 2474 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 2475 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|2,0,1]=4 2476 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|2,0,1]=4 2477 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|2,0,1]=4 2478 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|2,0,1]=4 2479 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|2,0,1]=4 2480 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|2,0,1]=4 2481 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|2,0,1]=4 2482 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 2483 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|2,0,1]=4 2484 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|2,0,1]=4 2485 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|2,0,1]=4 2486 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|2,0,1]=4 2487 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|2,0,1]=4 2488 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|2,0,1]=4 2489 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|2,0,1]=4 2490 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|2,0,1]=4 2491 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|2,0,1]=4 2492 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|2,0,1]=4 2493 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|2,0,1]=4 2494 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|1,0,1]=3 2495 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|1,0,1]=3 2496 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [1,0,0,0,0,0|2,0,1]=4 2497 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [1,0,0,0,0,0|2,0,1]=4 2498 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [1,0,0,0,0,0|2,0,1]=4 2499 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [1,0,0,0,0,0|2,0,1]=4 2500 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [1,0,0,0,0,0|2,0,1]=4 2501 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|1,0,1]=3 2502 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|1,0,1]=3 2503 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [1,0,0,0,0,0|2,0,1]=4 2504 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [1,0,0,0,0,0|2,0,1]=4 2505 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [1,0,0,0,0,0|2,0,1]=4 2506 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [1,0,0,0,0,0|2,0,1]=4 2507 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [1,0,0,0,0,0|2,0,1]=4 2508 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [1,0,0,0,0,0|2,0,1]=4 2509 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [1,0,0,0,0,0|2,0,1]=4 2510 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [1,0,0,0,0,0|2,0,1]=4 2511 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|1,0,1]=3 2512 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 2513 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 2514 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [1,0,0,0,0,0|2,0,1]=4 2515 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [1,0,0,0,0,0|2,0,1]=4 2516 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [1,0,0,0,0,0|2,0,1]=4 2517 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [1,0,0,0,0,0|2,0,1]=4 2518 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [1,0,0,0,0,0|2,0,1]=4 2519 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [1,0,0,0,0,0|2,0,1]=4 2520 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|1,0,1]=3 2521 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|1,0,1]=3 2522 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|1,0,1]=3 2523 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [1,0,0,0,0,0|2,0,1]=4 2524 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [1,0,0,0,0,0|2,0,1]=4 2525 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [1,0,0,0,0,0|2,0,1]=4 2526 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [1,0,0,0,0,0|2,0,1]=4 2527 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [1,0,0,0,0,0|2,0,1]=4 2528 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [1,0,0,0,0,0|2,0,1]=4 2529 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [1,0,0,0,0,0|2,0,1]=4 2530 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [1,0,0,0,0,0|2,0,1]=4 2531 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [1,0,0,0,0,0|2,0,1]=4 2532 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [1,0,0,0,0,0|2,0,1]=4 2533 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [1,0,0,0,0,0|2,0,1]=4 2534 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [1,0,0,0,0,0|2,0,1]=4 2535 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [1,0,0,0,0,0|2,0,1]=4 2536 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [1,0,0,0,0,0|2,0,1]=4 2537 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [1,0,0,0,0,0|2,0,1]=4 2538 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [1,0,0,0,0,0|2,0,1]=4 2539 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [1,0,0,0,0,0|2,0,1]=4 2540 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [1,0,0,0,0,0|2,0,1]=4 2541 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [1,0,0,0,0,0|2,0,1]=4 2542 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [1,0,0,0,0,0|2,0,1]=4 2543 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [1,0,0,0,0,0|2,0,1]=4 2544 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|1,0,1]=3 2545 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|1,0,1]=3 2546 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [1,0,0,0,0,0|2,0,1]=4 2547 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [1,0,0,0,0,0|2,0,1]=4 2548 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [1,0,0,0,0,0|2,0,1]=4 2549 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [1,0,0,0,0,0|2,0,1]=4 2550 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [1,0,0,0,0,0|2,0,1]=4 2551 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [1,0,0,0,0,0|2,0,1]=4 2552 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [1,0,0,0,0,0|2,0,1]=4 2553 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [1,0,0,0,0,0|2,0,1]=4 2554 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [1,0,0,0,0,0|2,0,1]=4 2555 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [1,0,0,0,0,0|2,0,1]=4 2556 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,0,0,0,0,0|2,0,1]=4 2557 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,0,0,0,0,0|2,0,1]=4 2558 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,0,0,0,0,0|2,0,1]=4 2559 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,0,0,0,0,0|2,0,1]=4 2560 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 2561 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|2,0,1]=4 2562 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 2563 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,0,0,0,0,0|2,0,1]=4 2564 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,0,0,0,0,0|2,0,1]=4 2565 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|0,0,3]=4 2566 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|0,0,3]=4 2567 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,0,0,0,0,0|2,0,1]=4 2568 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|2,0,0]=3 2569 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,0,0,0,0,0|3,0,0]=4 2570 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,0,0,0,0,0|3,0,0]=4 2571 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,0,0,0,0,0|3,0,0]=4 2572 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,0,0,0,0,0|3,0,0]=4 2573 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|2,0,0]=3 2574 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,0,0,0,0,0|3,0,0]=4 2575 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,0,0,0,0,0|3,0,0]=4 2576 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,0,0,0,0,0|3,0,0]=4 2577 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,0,0,0,0,0|3,0,0]=4 2578 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,0,0,0,0,0|3,0,0]=4 2579 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,0,0,0,0,0|3,0,0]=4 2580 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,0,0,0,0,0|3,0,0]=4 2581 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,0,0,0,0,0|3,0,0]=4 2582 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,0,0,0,0,0|3,0,0]=4 2583 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,0]=3 2584 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,0]=3 2585 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,0,0,0,0,0|3,0,0]=4 2586 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,0,0,0,0,0|3,0,0]=4 2587 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,0,0,0,0,0|3,0,0]=4 2588 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,0,0,0,0,0|3,0,0]=4 2589 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,0,0,0,0,0|3,0,0]=4 2590 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,0,0,0,0,0|3,0,0]=4 2591 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,0,0,0,0,0|3,0,0]=4 2592 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,0,0,0,0,0|3,0,0]=4 2593 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,0,0,0,0,0|3,0,0]=4 2594 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,0,0,0,0,0|3,0,0]=4 2595 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,0,0,0,0,0|3,0,0]=4 2596 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,0,0,0,0,0|3,0,0]=4 2597 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,0,0,0,0,0|3,0,0]=4 2598 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,0,0,0,0,0|3,0,0]=4 2599 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,0,0,0,0,0|3,0,0]=4 2600 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,0,0,0,0,0|3,0,0]=4 2601 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|2,0,0]=3 2602 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|2,0,0]=3 2603 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,0,0,0,0,0|3,0,0]=4 2604 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,0,0,0,0,0|3,0,0]=4 2605 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,0,0,0,0,0|3,0,0]=4 2606 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,0,0,0,0,0|3,0,0]=4 2607 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,0,0,0,0,0|3,0,0]=4 2608 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,0,0,0,0,0|3,0,0]=4 2609 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,0,0,0,0,0|3,0,0]=4 2610 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,0,0,0,0,0|3,0,0]=4 2611 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,0,0,0,0,0|3,0,0]=4 2612 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,0,0,0,0,0|3,0,0]=4 2613 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,0,0,0,0,0|3,0,0]=4 2614 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,0,0,0,0,0|3,0,0]=4 2615 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,0,0,0,0|0,0,3]=4 2616 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,0,0,0,0|0,0,3]=4 2617 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,0,0,0,0,0|0,0,3]=4 2618 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,0,0,0,0,0|0,0,3]=4 2619 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,0,0,0,0|0,0,3]=4 2620 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,0,0,0,0|0,0,3]=4 2621 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,0,0,0,0,0|0,0,3]=4 2622 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,0,0,0,0,0|0,0,3]=4 2623 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,0,0,0,0,0|0,0,3]=4 2624 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|2,0,0]=3 2625 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|2,0,0]=3 2626 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|2,0,0]=3 2627 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|2,0,0]=3 2628 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|2,0,0]=3 2629 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|2,0,0]=3 2630 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|2,0,0]=3 2631 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|2,0,0]=3 2632 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|2,0,0]=3 2633 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|2,0,0]=3 2634 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|2,0,0]=3 2635 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|2,0,0]=3 2636 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|2,0,0]=3 2637 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|2,0,0]=3 2638 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 2639 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,1]=3 2640 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 2641 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,1]=4 2642 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|0,0,1]=2 2643 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|0,0,1]=2 2644 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|0,0,1]=2 2645 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|1,0,1]=3 2646 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|1,0,1]=3 2647 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|0,1,1]=3 2648 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|0,1,1]=3 2649 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|1,1,1]=4 2650 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|1,1,1]=4 2651 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|2,0,0]=3 2652 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|2,0,1]=4 2653 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|3,0,0]=4 2654 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|3,0,0]=4 2655 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|2,0,0]=3 2656 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|2,0,0]=3 2657 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|2,0,1]=4 2658 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 2659 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 2660 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|3,0,0]=4 2661 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|2,0,0]=3 2662 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|2,0,0]=3 2663 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|2,0,1]=4 2664 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2665 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|3,0,0]=4 2666 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|3,0,0]=4 2667 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|3,0,0]=4 2668 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|3,0,0]=4 2669 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|2,0,1]=4 2670 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|2,0,1]=4 2671 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|2,0,1]=4 2672 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|3,0,0]=4 2673 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|3,0,0]=4 2674 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|3,0,0]=4 2675 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|3,0,0]=4 2676 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 2677 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|2,0,1]=4 2678 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 2679 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|2,0,1]=4 2680 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|3,0,0]=4 2681 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|3,0,0]=4 2682 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|3,0,0]=4 2683 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|3,0,0]=4 2684 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|3,0,0]=4 2685 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|3,0,0]=4 2686 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|3,0,0]=4 2687 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|3,0,0]=4 2688 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|3,0,0]=4 2689 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|3,0,0]=4 2690 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|3,0,0]=4 2691 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|2,0,1]=4 2692 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|2,0,1]=4 2693 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|3,0,0]=4 2694 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|3,0,0]=4 2695 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|3,0,0]=4 2696 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|3,0,0]=4 2697 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|1,0,1]=3 2698 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|1,0,1]=3 2699 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|2,0,0]=3 2700 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|2,0,1]=4 2701 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|3,0,0]=4 2702 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|3,0,0]=4 2703 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|3,0,0]=4 2704 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|1,0,1]=3 2705 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|1,0,1]=3 2706 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|1,0,1]=3 2707 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|1,0,1]=3 2708 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,0,0,0,0,0|2,0,1]=4 2709 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|1,1,1]=4 2710 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|1,1,1]=4 2711 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|2,0,0]=3 2712 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|2,0,1]=4 2713 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|2,0,1]=4 2714 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|3,0,0]=4 2715 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 2716 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|3,0,0]=4 2717 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|3,0,0]=4 2718 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|3,0,0]=4 2719 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|3,0,0]=4 2720 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|1,0,1]=3 2721 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|1,0,1]=3 2722 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|1,0,1]=3 2723 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|1,0,1]=3 2724 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|1,0,1]=3 2725 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|1,0,1]=3 2726 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,0,0,0,0,0|2,0,1]=4 2727 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,0,0,0,0,0|2,0,1]=4 2728 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|1,1,1]=4 2729 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|1,1,1]=4 2730 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|1,1,1]=4 2731 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|1,1,1]=4 2732 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|2,0,0]=3 2733 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|2,0,0]=3 2734 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|2,0,1]=4 2735 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|3,0,0]=4 2736 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|3,0,0]=4 2737 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|1,0,1]=3 2738 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|1,0,1]=3 2739 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|1,1,1]=4 2740 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|1,1,1]=4 2741 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|2,0,0]=3 2742 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|2,0,0]=3 2743 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|3,0,0]=4 2744 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|3,0,0]=4 2745 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|3,0,0]=4 2746 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|3,0,0]=4 2747 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|1,0,1]=3 2748 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|1,0,1]=3 2749 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|1,0,1]=3 2750 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|1,0,1]=3 2751 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|2,0,0]=3 2752 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|3,0,0]=4 2753 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|3,0,0]=4 2754 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|3,0,0]=4 2755 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|3,0,0]=4 2756 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|3,0,0]=4 2757 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|3,0,0]=4 2758 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|3,0,0]=4 2759 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|3,0,0]=4 2760 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|3,0,0]=4 2761 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 2762 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 2763 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|1,0,1]=3 2764 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|1,0,1]=3 2765 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|1,0,1]=3 2766 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|1,0,1]=3 2767 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|1,0,1]=3 2768 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|1,0,1]=3 2769 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,0,0,0,0,0|2,0,1]=4 2770 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,0,0,0,0,0|2,0,1]=4 2771 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|1,1,1]=4 2772 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|1,1,1]=4 2773 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|3,0,0]=4 2774 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|3,0,0]=4 2775 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|3,0,0]=4 2776 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|3,0,0]=4 2777 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,0,0,0,0,0|2,0,1]=4 2778 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,0,0,0,0,0|2,0,1]=4 2779 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|2,0,0]=3 2780 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|2,0,0]=3 2781 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|3,0,0]=4 2782 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|3,0,0]=4 2783 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|1,0,1]=3 2784 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|1,0,1]=3 2785 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|3,0,0]=4 2786 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|3,0,0]=4 2787 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|3,0,0]=4 2788 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|3,0,0]=4 2789 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|3,0,0]=4 2790 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|3,0,0]=4 2791 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|3,0,0]=4 2792 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|3,0,0]=4 2793 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,0,0,0,0,0|2,0,1]=4 2794 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,0,0,0,0,0|2,0,1]=4 2795 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|2,0,0]=3 2796 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|2,0,0]=3 2797 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 2798 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|2,0,1]=4 2799 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 2800 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,1]=4 2801 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,0,0,0,0,0|2,0,1]=4 2802 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,0,0,0,0,0|2,0,1]=4 2803 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,0,0,0,0,0|2,0,1]=4 2804 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 2805 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 2806 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2807 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,1]=3 2808 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|1,0,1]=3 2809 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|1,0,1]=3 2810 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|1,0,1]=3 2811 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,0,0,0,0,0|2,0,1]=4 2812 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,0,0,0,0,0|2,0,1]=4 2813 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,0,0,0,0,0|2,0,1]=4 2814 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,0,0,0,0,0|2,0,1]=4 2815 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2816 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2817 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,0,0,0,0,0|2,0,1]=4 2818 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,0,0,0,0,0|2,0,1]=4 2819 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,0,0,0,0,0|2,0,1]=4 2820 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,0,0,0,0,0|2,0,1]=4 2821 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,0,0,0,0,0|2,0,1]=4 2822 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,0,0,0,0,0|2,0,1]=4 2823 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,0,0,0,0,0|2,0,1]=4 2824 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,0,0,0,0,0|2,0,1]=4 2825 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,0,0,0,0,0|2,0,1]=4 2826 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,0,0,0,0,0|2,0,1]=4 2827 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,0,0,0,0,0|2,0,1]=4 2828 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,0,0,0,0,0|2,0,1]=4 2829 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2830 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 2831 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 2832 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|2,0,1]=4 2833 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|2,0,1]=4 2834 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|2,0,1]=4 2835 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|2,0,1]=4 2836 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,0,0,0,0,0|2,0,1]=4 2837 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,0,0,0,0,0|2,0,1]=4 2838 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,0,0,0,0,0|2,0,1]=4 2839 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,0,0,0,0,0|2,0,1]=4 2840 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,0,0,0,0,0|2,0,1]=4 2841 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,0,0,0,0,0|2,0,1]=4 2842 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,1]=4 2843 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,1]=4 2844 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,0,0,0,0,0|2,0,1]=4 2845 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,0,0,0,0,0|2,0,1]=4 2846 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,0,0,0,0,0|2,0,1]=4 2847 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,0,0,0,0,0|2,0,1]=4 2848 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,0,0,0,0,0|2,0,1]=4 2849 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,0,0,0,0,0|2,0,1]=4 2850 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|3,0,0]=4 2851 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,0,0,0,0,0|2,0,1]=4 2852 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,0,0,0,0,0|2,0,1]=4 2853 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,1]=4 2854 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,1]=4 2855 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 2856 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,1]=4 2857 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,0,0,0,0,0|2,0,1]=4 2858 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,0,0,0,0,0|2,0,1]=4 2859 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,0,0,0,0,0|2,0,1]=4 2860 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,0,0,0,0,0|2,0,1]=4 2861 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,0,0,0,0,0|2,0,1]=4 2862 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,0,0,0,0,0|2,0,1]=4 2863 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,0,0,0,0,0|2,0,1]=4 2864 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,0,0,0,0,0|2,0,1]=4 2865 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,0,0,0,0,0|2,0,1]=4 2866 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|3,0,0]=4 2867 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,0,0,0,0,0|2,0,1]=4 2868 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,0,0,0,0,0|2,0,1]=4 2869 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 2870 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,0,0,0,0,0|2,0,1]=4 2871 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,0,0,0,0,0|2,0,1]=4 2872 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,0,0,0,0,0|2,0,1]=4 2873 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,0,0,0,0,0|2,0,1]=4 2874 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,0,0,0,0,0|2,0,1]=4 2875 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 2876 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,1]=4 2877 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,1]=4 2878 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,0,0,0,0,0|2,0,1]=4 2879 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,0,0,0,0,0|2,0,1]=4 2880 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,0,0,0,0,0|2,0,1]=4 2881 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,0,0,0,0,0|2,0,1]=4 2882 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,0,0,0,0,0|2,0,1]=4 2883 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,0,0,0,0,0|2,0,1]=4 2884 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,0,0,0,0,0|2,0,1]=4 2885 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,0,0,0,0,0|2,0,1]=4 2886 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,0,0,0,0,0|2,0,1]=4 2887 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,0,0,0,0,0|2,0,1]=4 2888 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,0,0,0,0,0|2,0,1]=4 2889 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,0,0,0,0,0|2,0,1]=4 2890 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,0,0,0,0,0|2,0,1]=4 2891 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,0,0,0,0,0|2,0,1]=4 2892 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,0,0,0,0,0|2,0,1]=4 2893 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,0,0,0,0,0|2,0,1]=4 2894 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,0,0,0,0,0|2,0,1]=4 2895 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|3,0,0]=4 2896 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|3,0,0]=4 2897 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,0,0,0,0,0|2,0,1]=4 2898 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,0,0,0,0,0|2,0,1]=4 2899 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,1]=4 2900 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 2901 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,0,0,0,0,0|2,0,1]=4 2902 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,0,0,0,0,0|2,0,1]=4 2903 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,0,0,0,0,0|2,0,1]=4 2904 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,0,0,0,0,0|2,0,1]=4 2905 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,0,0,0,0,0|2,0,1]=4 2906 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,0,0,0,0|3,0,0]=4 2907 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,0,0,0,0|3,0,0]=4 2908 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,0,0,0,0,0|2,0,1]=4 2909 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,0,0,0,0,0|2,0,1]=4 2910 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,1]=4 2911 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,1]=4 2912 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,0,0,0,0,0|2,0,1]=4 2913 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,0,0,0,0,0|2,0,1]=4 2914 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,1,1]=4 2915 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,1,1]=4 2916 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|1,1,1]=4 2917 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|1,1,1]=4 2918 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|3,0,0]=4 2919 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|3,0,0]=4 2920 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|3,0,0]=4 2921 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|3,0,0]=4 2922 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|3,0,0]=4 2923 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|3,0,0]=4 2924 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|3,0,0]=4 2925 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|3,0,0]=4 2926 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|3,0,0]=4 2927 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|3,0,0]=4 2928 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|3,0,0]=4 2929 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|3,0,0]=4 2930 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|3,0,0]=4 2931 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|3,0,0]=4 2932 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|3,0,0]=4 2933 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|3,0,0]=4 2934 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|2,0,1]=4 2935 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|2,0,1]=4 2936 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|3,0,0]=4 2937 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|3,0,0]=4 2938 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|3,0,0]=4 2939 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|3,0,0]=4 2940 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|3,0,0]=4 2941 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|3,0,0]=4 2942 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|3,0,0]=4 2943 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|3,0,0]=4 2944 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|3,0,0]=4 2945 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|3,0,0]=4 2946 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|3,0,0]=4 2947 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|3,0,0]=4 2948 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|3,0,0]=4 2949 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|3,0,0]=4 2950 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|3,0,0]=4 2951 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|3,0,0]=4 2952 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|3,0,0]=4 2953 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|3,0,0]=4 2954 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|3,0,0]=4 2955 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 2956 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 2957 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,1]=4 2958 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|3,0,0]=4 2959 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|3,0,0]=4 2960 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|3,0,0]=4 2961 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|3,0,0]=4 2962 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|3,0,0]=4 2963 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|3,0,0]=4 2964 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|3,0,0]=4 2965 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|3,0,0]=4 2966 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|3,0,0]=4 2967 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|3,0,0]=4 2968 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|3,0,0]=4 2969 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|3,0,0]=4 2970 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|3,0,0]=4 2971 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|3,0,0]=4 2972 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|3,0,0]=4 2973 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|3,0,0]=4 2974 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|3,0,0]=4 2975 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|3,0,0]=4 2976 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|3,0,0]=4 2977 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|3,0,0]=4 2978 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|3,0,0]=4 2979 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|3,0,0]=4 2980 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|3,0,0]=4 2981 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|3,0,0]=4 2982 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|3,0,0]=4 2983 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|3,0,0]=4 2984 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|3,0,0]=4 2985 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|3,0,0]=4 2986 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|3,0,0]=4 2987 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|3,0,0]=4 2988 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|3,0,0]=4 2989 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|3,0,0]=4 2990 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|3,0,0]=4 2991 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|3,0,0]=4 2992 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|3,0,0]=4 2993 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|3,0,0]=4 2994 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|3,0,0]=4 2995 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|3,0,0]=4 2996 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|3,0,0]=4 2997 B12R0.4 C#CCCCCSC(C)OC(=O)C 62a_100009818208_100010269958 [0,1,0,0,0,0|1,0,2]=4 2998 B12R0.4 C#CCCCCSC(C)OC(=O)C 62a_100010269958_100009818208 [0,1,0,0,0,0|1,0,2]=4 2999 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,0,0,0,0|2,0,1]=4 3000 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,1,0,0,0,0|3,0,0]=4 3001 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,1,0,0,0,0|3,0,0]=4 3002 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,1,0,0,0,0|3,0,0]=4 3003 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,1,0,0,0,0|3,0,0]=4 3004 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100009818208_100011215482 [0,1,0,0,0,0|1,0,2]=4 3005 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100011215482_100009818208 [0,1,0,0,0,0|1,0,2]=4 3006 B12R0.4 CC(=O)OC(C)SCCCCC#N 62a_100009818208_100000211819 [0,1,0,0,0,0|2,0,1]=4 3007 B12R0.4 CC(=O)OC(C)SCCCCC#N 62a_100011219923_100009818208 [0,1,0,0,0,0|2,0,1]=4 3008 B12R0.4 CC(=O)OC(C)SCCCCC=O 62a_100000139335_100009818208 [0,1,0,0,0,0|2,0,1]=4 3009 B12R0.4 CC(=O)OC(C)SCCCCC=O 62a_100009818208_100000139335 [0,1,0,0,0,0|2,0,1]=4 3010 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100000729378_100009818208 [0,1,0,0,0,0|2,0,0]=3 3011 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100009818208_100000729378 [0,1,0,0,0,0|2,0,0]=3 3012 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100000746330_100009818208 [0,1,0,0,0,0|2,0,0]=3 3013 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100009818208_100000746330 [0,1,0,0,0,0|2,0,0]=3 3014 B12R0.4 CC(=O)OC(C)SCCOCCO 62a_100009818208_100011215305 [0,1,0,0,0,0|3,0,0]=4 3015 B12R0.4 CC(=O)OC(C)SCCOCCO 62a_100011215305_100009818208 [0,1,0,0,0,0|3,0,0]=4 3016 B12R0.4 CC/C=C\CCSC(C)OC(=O)C 62a_100009818208_100015370543 [0,1,0,0,0,0|1,0,2]=4 3017 B12R0.4 CC/C=C\CCSC(C)OC(=O)C 62a_100015370543_100009818208 [0,1,0,0,0,0|1,0,2]=4 3018 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,1,0,0,0,0|2,0,1]=4 3019 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,1,0,0,0,0|2,0,1]=4 3020 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,1,0,0,0,0|2,0,1]=4 3021 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,1,0,0,0,0|2,0,1]=4 3022 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,1,0,0,0,0|2,0,1]=4 3023 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,1,0,0,0,0|2,0,1]=4 3024 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,1,0,0,0,0|2,0,1]=4 3025 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,1,0,0,0,0|2,0,1]=4 3026 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,1,0,0,0,0|1,0,1]=3 3027 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,1,0,0,0,0|1,0,1]=3 3028 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,1,0,0,0,0|1,0,1]=3 3029 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,1,0,0,0,0|1,1,1]=4 3030 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,1,0,0,0,0|1,1,1]=4 3031 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,1,0,0,0,0|1,0,0]=2 3032 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,1,0,0,0,0|1,0,0]=2 3033 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,1,0,0,0,0|3,0,0]=4 3034 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,1,0,0,0,0|3,0,0]=4 3035 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,1,0,0,0,0|3,0,0]=4 3036 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,1,0,0,0,0|3,0,0]=4 3037 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,1,0,0,0,0|3,0,0]=4 3038 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,1,0,0,0,0|2,0,1]=4 3039 B12R0.4 CCCCCCOC(C)C=C(C)C 34a_100000717055_100000210314 [0,1,0,0,0,0|3,0,0]=4 3040 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,1,0,0,0,0|1,0,0]=2 3041 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,1,0,0,0,0|1,0,0]=2 3042 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,1,0,0,0,0|3,0,0]=4 3043 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,1,0,0,0,0|2,0,1]=4 3044 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,1,0,0,0,0|2,0,1]=4 3045 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100009818208_100011995733 [0,1,0,0,0,0|2,0,0]=3 3046 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100011995733_100009818208 [0,1,0,0,0,0|2,0,0]=3 3047 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100009818208_100011215938 [0,1,0,0,0,0|2,0,0]=3 3048 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100011215938_100009818208 [0,1,0,0,0,0|2,0,0]=3 3049 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100009818208_100012232248 [0,1,0,0,0,0|2,0,0]=3 3050 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100012232248_100009818208 [0,1,0,0,0,0|2,0,0]=3 3051 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100000730899_100009818208 [0,1,0,0,0,0|2,0,0]=3 3052 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100009818208_100000730899 [0,1,0,0,0,0|2,0,0]=3 3053 B12R0.4 COCCOCSC(C)OC(=O)C 62a_100000231047_100009818208 [0,1,0,0,0,0|3,0,0]=4 3054 B12R0.4 COCCOCSC(C)OC(=O)C 62a_100009818208_100000231047 [0,1,0,0,0,0|3,0,0]=4 3055 B12R0.95 C#CCCC(=O)CCCOC(=O)C 1458a_100000692101_100000042594 [0,1,0,0,0,0|0,0,3]=4 3056 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,1,0,0,0,0|3,0,0]=4 3057 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,1,0,0,0,0|3,0,0]=4 3058 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,1,0,0,0,0|3,0,0]=4 3059 B12R0.95 C=CCCC(=O)CCCOC(=O)C 1458a_100000749702_100000042594 [0,1,0,0,0,0|0,0,3]=4 3060 B12R0.95 C=CCCC(C)OCCOC(=O)C 34a_100000765329_100009814007 [0,1,0,0,0,0|1,0,2]=4 3061 B12R0.95 C=CCCC(C)OCCOC(=O)C 7a_100000765329_100009814007 [0,1,0,0,0,0|1,0,2]=4 3062 B12R0.95 C=CCCN(C)CCCOC(=O)C 269982a_100020639649_100000042594 [0,1,0,0,0,0|1,0,2]=4 3063 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,1,0,0,0,0|3,0,0]=4 3064 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,1,0,0,0,0|3,0,0]=4 3065 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,1,0,0,0,0|3,0,0]=4 3066 B12R0.95 CC(=O)NCCCC(=O)CCCF 1458a_100000194741_100011934791 [0,1,0,0,0,0|2,0,1]=4 3067 B12R0.95 CC(=O)NCCCC(=O)CCCO 1458a_100000194741_100011215043 [0,1,0,0,0,0|2,0,1]=4 3068 B12R0.95 CC(=O)NCCOC(C)CCCCl 7a_200000718107_100000189650 [0,1,0,0,0,0|3,0,0]=4 3069 B12R0.95 CC(=O)OCCCC(=O)CCC#N 1458a_100011934036_100000042594 [0,1,0,0,0,0|1,0,2]=4 3070 B12R0.95 CC(=O)OCCCN(C)CCCO 269982a_100000213112_100000042594 [0,1,0,0,0,0|2,0,0]=3 3071 B12R0.95 CC(=O)OCCOC(C)CCCCl 34a_200000718107_100009814007 [0,1,0,0,0,0|2,0,0]=3 3072 B12R0.95 CC(=O)OCCOC(C)CCCCl 7a_200000718107_100009814007 [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.95 CC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100009813279 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.95 CC(=O)SCCCN(C)CCCO 2230a_100000213112_100000038929 [0,1,0,0,0,0|2,1,0]=4 3075 B12R0.95 CC(=O)SCCCN(C)CCCO 269982a_100000213112_100000038929 [0,1,0,0,0,0|2,1,0]=4 3076 B12R0.95 CC(=S)OCCCN(C)CCCO 2230a_100000213112_200135323944 [0,1,0,0,0,0|2,1,0]=4 3077 B12R0.95 CC(=S)OCCCN(C)CCCO 269982a_100000213112_200135323944 [0,1,0,0,0,0|2,1,0]=4 3078 B12R0.95 CC(CCCCl)OCCOC(=O)N 34a_200000718107_200011214921 [0,1,0,0,0,0|3,0,0]=4 3079 B12R0.95 CC(CCCCl)OCCOC(=O)N 7a_200000718107_200011214921 [0,1,0,0,0,0|3,0,0]=4 3080 B12R0.95 CC=CCC(=O)CCCOC(=O)C 1458a_100121576822_100000042594 [0,1,0,0,0,0|0,0,3]=4 3081 B12R0.95 CCC#CC(=O)CCCOC(=O)C 1458a_100011827653_100000042594 [0,1,0,0,0,0|0,0,3]=4 3082 B12R0.95 CCC#CC(C)OCCOC(=O)C 34a_100000033903_100009814007 [0,1,0,0,0,0|1,0,2]=4 3083 B12R0.95 CCC#CC(C)OCCOC(=O)C 7a_100000033903_100009814007 [0,1,0,0,0,0|1,0,2]=4 3084 B12R0.95 CCC=CC(=O)CCCOC(=O)C 1458a_100000212282_100000042594 [0,1,0,0,0,0|0,0,3]=4 3085 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,1,0,0,0,0|1,0,1]=3 3086 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,1,0,0,0,0|1,0,1]=3 3087 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,1,0,0,0,0|0,0,1]=2 3088 B12R0.95 CCCCC(=O)CCCOC(=S)C 1458a_100000210183_200135323944 [0,1,0,0,0,0|0,1,1]=3 3089 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,1,0,0,0,0|0,1,1]=3 3090 B12R0.95 CCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210183 [0,1,0,0,0,0|2,0,1]=4 3091 B12R0.95 CCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210183 [0,1,0,0,0,0|2,0,1]=4 3092 B12R0.95 CCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210183 [0,1,0,0,0,0|1,0,1]=3 3093 B12R0.95 CCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210183 [0,1,0,0,0,0|1,0,1]=3 3094 B12R0.95 CCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210183 [0,1,0,0,0,0|1,0,1]=3 3095 B12R0.95 CCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210183 [0,1,0,0,0,0|1,1,1]=4 3096 B12R0.95 CCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210183 [0,1,0,0,0,0|1,1,1]=4 3097 B12R0.95 CCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210183 [0,1,0,0,0,0|1,1,1]=4 3098 B12R0.95 CCCCC(C)COCC=C(C)C 34a_100011995851_100000761012 [0,1,0,0,0,0|3,0,0]=4 3099 B12R0.95 CCCCC(C)COCC=C(C)C 7a_100011995851_100000761012 [0,1,0,0,0,0|3,0,0]=4 3100 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,1,0,0,0,0|2,0,0]=3 3101 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,1,0,0,0,0|3,0,0]=4 3102 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,1,0,0,0,0|3,0,0]=4 3103 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,1,0,0,0,0|1,0,0]=2 3104 B12R0.95 CCCCC(C)COCOC(C)C 34a_100011995851_100000709892 [0,1,0,0,0,0|2,0,1]=4 3105 B12R0.95 CCCCC(C)NCCC=C(C)C 2230a_100000126638_100011217483 [0,1,0,0,0,0|3,0,0]=4 3106 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,1,0,0,0,0|3,0,0]=4 3107 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,1,0,0,0,0|3,0,0]=4 3108 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,1,0,0,0,0|3,0,0]=4 3109 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,1,0,0,0,0|2,0,0]=3 3110 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,1,0,0,0,0|2,0,0]=3 3111 B12R0.95 CCCCC(C)NCCNC(=O)N 2230a_100000126638_200000034859 [0,1,0,0,0,0|3,0,0]=4 3112 B12R0.95 CCCCC(C)NCCNC(=O)N 34a_100020590234_200011215066 [0,1,0,0,0,0|3,0,0]=4 3113 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000126638_100000211751 [0,1,0,0,0,0|2,0,1]=4 3114 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000701111_200011215066 [0,1,0,0,0,0|2,0,1]=4 3115 B12R0.95 CCCCC(C)NCCOC(C)C 270004a_100000701111_100000210087 [0,1,0,0,0,0|2,0,1]=4 3116 B12R0.95 CCCCC(C)NCCOC(C)C 34a_100000701111_200011215066 [0,1,0,0,0,0|2,0,1]=4 3117 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,1,0,0,0,0|3,0,0]=4 3118 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,1,0,0,0,0|3,0,0]=4 3119 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,1,0,0,0,0|2,0,0]=3 3120 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,1,0,0,0,0|2,0,0]=3 3121 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,1,0,0,0,0|2,0,0]=3 3122 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,1,0,0,0,0|2,0,0]=3 3123 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,1,0,0,0,0|3,0,0]=4 3124 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,1,0,0,0,0|3,0,0]=4 3125 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,1,0,0,0,0|2,0,0]=3 3126 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,1,0,0,0,0|2,0,0]=3 3127 B12R0.95 CCCCC(C)OCCNC(=O)N 34a_100000181757_200011215066 [0,1,0,0,0,0|3,0,0]=4 3128 B12R0.95 CCCCC(C)OCCNC(=O)N 7a_100000687866_200000034859 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,1,0,0,0,0|1,0,0]=2 3130 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,1,0,0,0,0|1,0,0]=2 3131 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,1,0,0,0,0|2,0,0]=3 3132 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,1,0,0,0,0|2,0,0]=3 3133 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,1,0,0,0,0|2,0,0]=3 3134 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000211219_200011215066 [0,1,0,0,0,0|2,0,1]=4 3135 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000687866_100000211751 [0,1,0,0,0,0|2,0,1]=4 3136 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000211219_200011215066 [0,1,0,0,0,0|2,0,1]=4 3137 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000687866_100000211751 [0,1,0,0,0,0|2,0,1]=4 3138 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_100011217483_200011215066 [0,1,0,0,0,0|3,0,0]=4 3139 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_200011215066_100011217483 [0,1,0,0,0,0|3,0,0]=4 3140 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,1,0,0,0,0|2,0,0]=3 3141 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,1,0,0,0,0|2,0,0]=3 3142 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,1,0,0,0,0|3,0,0]=4 3143 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,1,0,0,0,0|3,0,0]=4 3144 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,1,0,0,0,0|2,0,0]=3 3145 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,1,0,0,0,0|2,0,0]=3 3146 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200000034859_200011215066 [0,1,0,0,0,0|3,0,0]=4 3147 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200011215066_200000034859 [0,1,0,0,0,0|3,0,0]=4 3148 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,1,0,0,0,0|1,0,0]=2 3149 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,1,0,0,0,0|1,0,0]=2 3150 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,1,0,0,0,0|2,0,0]=3 3151 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,1,0,0,0,0|2,0,0]=3 3152 B12R0.95 CCCCC(C)SCCOC(C)C 62a_100000211751_200011215066 [0,1,0,0,0,0|2,0,1]=4 3153 B12R0.95 CCCCC(C)SCCOC(C)C 62a_200011215066_100000211751 [0,1,0,0,0,0|2,0,1]=4 3154 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,1,0,0,0,0|2,0,0]=3 3155 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,1,0,0,0,0|1,0,0]=2 3156 B12R0.95 CCCCN(C)CCCOC(=S)C 2230a_100000207549_200135323944 [0,1,0,0,0,0|1,1,0]=3 3157 B12R0.95 CCCCN(C)CCCOC(=S)C 269982a_100000207549_200135323944 [0,1,0,0,0,0|1,1,0]=3 3158 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,1,0,0,0,0|1,1,0]=3 3159 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,1,0,0,0,0|1,1,0]=3 3160 B12R0.95 CCCC[C@H](N)COCC=C(C)C 34a_100011934283_100000761012 [0,1,0,0,0,0|3,0,0]=4 3161 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,1,0,0,0,0|3,0,0]=4 3162 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,1,0,0,0,0|1,0,0]=2 3163 B12R0.95 CCCC[C@H](N)COCOC(C)C 34a_100011934283_100000709892 [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.95 CCCNC(=O)CCCNC(=O)C 11a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.95 CCCNC(=O)CCCNC(=O)C 1626a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.95 CCCNC(=O)CCCNC(=O)C 240690a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.95 CCCNC(=O)CCCNC(=O)C 527a_100020643023_100000194741 [0,1,0,0,0,0|2,0,1]=4 3168 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000076356_100000183358 [0,1,0,0,0,0|2,0,1]=4 3169 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000183358_100000076356 [0,1,0,0,0,0|2,0,1]=4 3170 B12R0.95 CCCNC(=O)NCCOC(=O)C 2708a_100020643023_100000724843 [0,1,0,0,0,0|2,0,1]=4 3171 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100000724843_100020643023 [0,1,0,0,0,0|2,0,1]=4 3172 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100020643023_100000724843 [0,1,0,0,0,0|2,0,1]=4 3173 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100000724843_100020643023 [0,1,0,0,0,0|2,0,1]=4 3174 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100020643023_100000724843 [0,1,0,0,0,0|2,0,1]=4 3175 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_100000076356_200011215008 [0,1,0,0,0,0|2,0,1]=4 3176 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_200011215008_100000076356 [0,1,0,0,0,0|2,0,1]=4 3177 B12R0.95 CCCOC(C)CNCOC(=O)C 34a_100015185124_100009813279 [0,1,0,0,0,0|2,0,0]=3 3178 B12R0.95 CCNN=C(C)CCCOC(=O)C 4a_100000756455_100000031019 [0,1,0,0,0,0|2,0,1]=4 3179 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,1,0,0,0,0|2,0,1]=4 3180 B12R0.95 CCOCC(=O)CCCOC(=O)C 1458a_100000211967_100000042594 [0,1,0,0,0,0|1,0,1]=3 3181 B12R0.95 CCOCC(=O)CCCOC(=S)C 1458a_100000211967_200135323944 [0,1,0,0,0,0|1,1,1]=4 3182 B12R0.95 CCOCC(=O)CCCSC(=O)C 1458a_100000211967_100000038929 [0,1,0,0,0,0|1,1,1]=4 3183 B12R0.95 CCOCC(=O)NCCOC(=O)C 11a_100000724843_100000211967 [0,1,0,0,0,0|2,0,1]=4 3184 B12R0.95 CCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000211967 [0,1,0,0,0,0|2,0,1]=4 3185 B12R0.95 CCOCC(=O)NCCOC(=O)C 527a_100000724843_100000211967 [0,1,0,0,0,0|2,0,1]=4 3186 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,1,0,0,0,0|3,0,0]=4 3187 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,1,0,0,0,0|3,0,0]=4 3188 B12R0.95 CCOCC(C)OCCNC(=O)C 7a_100000718985_100000189650 [0,1,0,0,0,0|3,0,0]=4 3189 B12R0.95 CCOCC(C)OCCOC(=O)C 34a_100000718985_100009814007 [0,1,0,0,0,0|2,0,0]=3 3190 B12R0.95 CCOCC(C)OCCOC(=O)C 7a_100000718985_100009814007 [0,1,0,0,0,0|2,0,0]=3 3191 B12R0.95 CCOCC(C)OCCOC(=O)N 34a_100000718985_200011214921 [0,1,0,0,0,0|3,0,0]=4 3192 B12R0.95 CCOCC(C)OCCOC(=O)N 7a_100000718985_200011214921 [0,1,0,0,0,0|3,0,0]=4 3193 B12R0.95 CCOCC(O)CNCOC(=O)C 34a_102515437182_100009813279 [0,1,0,0,0,0|2,0,0]=3 3194 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,1,0,0,0,0|2,0,1]=4 3195 B12R0.95 CCSCC(=O)CCCOC(=O)C 1458a_100000230394_100000042594 [0,1,0,0,0,0|1,0,1]=3 3196 B12R0.95 CCSCC(=O)CCCOC(=S)C 1458a_100000230394_200135323944 [0,1,0,0,0,0|1,1,1]=4 3197 B12R0.95 CCSCC(=O)CCCSC(=O)C 1458a_100000230394_100000038929 [0,1,0,0,0,0|1,1,1]=4 3198 B12R0.95 CCSCC(=O)NCCOC(=O)C 11a_100000724843_100000230394 [0,1,0,0,0,0|2,0,1]=4 3199 B12R0.95 CCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000230394 [0,1,0,0,0,0|2,0,1]=4 3200 B12R0.95 CCSCC(=O)NCCOC(=O)C 527a_100000724843_100000230394 [0,1,0,0,0,0|2,0,1]=4 3201 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,1,0,0,0,0|2,0,1]=4 3202 B12R0.95 COCCC(=O)CCCNC(=O)C 1458a_100000194741_100000233755 [0,1,0,0,0,0|2,0,1]=4 3203 B12R0.95 COCCC(=O)CCCOC(=O)C 1458a_100000749529_100000042594 [0,1,0,0,0,0|1,0,1]=3 3204 B12R0.95 COCCC(=O)CCCOC(=S)C 1458a_100000749529_200135323944 [0,1,0,0,0,0|1,1,1]=4 3205 B12R0.95 COCCC(=O)CCCSC(=O)C 1458a_100000749529_100000038929 [0,1,0,0,0,0|1,1,1]=4 3206 B12R0.95 COCCC(=O)NCCOC(=O)C 11a_100000724843_100000749529 [0,1,0,0,0,0|2,0,1]=4 3207 B12R0.95 COCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749529 [0,1,0,0,0,0|2,0,1]=4 3208 B12R0.95 COCCC(=O)NCCOC(=O)C 527a_100000724843_100000749529 [0,1,0,0,0,0|2,0,1]=4 3209 B12R0.95 COCCN(C)CCCCC(=O)C 269982a_100000743101_100000735457 [0,1,0,0,0,0|3,0,0]=4 3210 B12R0.95 COCCN(C)CCCOC(=O)C 269982a_100000743101_100000042594 [0,1,0,0,0,0|2,0,0]=3 3211 B12R0.95 COCCN(C)CCCOC(=S)C 2230a_100000743101_200135323944 [0,1,0,0,0,0|2,1,0]=4 3212 B12R0.95 COCCN(C)CCCOC(=S)C 269982a_100000743101_200135323944 [0,1,0,0,0,0|2,1,0]=4 3213 B12R0.95 COCCN(C)CCCSC(=O)C 2230a_100000743101_100000038929 [0,1,0,0,0,0|2,1,0]=4 3214 B12R0.95 COCCN(C)CCCSC(=O)C 269982a_100000743101_100000038929 [0,1,0,0,0,0|2,1,0]=4 3215 B12R0.95 COCO[C@H](C)COCOC(=O)C 34a_100016172286_100009813279 [0,1,0,0,0,0|3,0,0]=4 3216 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,1,0,0,0,0|2,0,1]=4 3217 B12R0.95 CSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000751147 [0,1,0,0,0,0|2,0,1]=4 3218 B12R0.95 CSCCC(=O)CCCOC(=O)C 1458a_100000174002_100000042594 [0,1,0,0,0,0|1,0,1]=3 3219 B12R0.95 CSCCC(=O)CCCOC(=S)C 1458a_100000174002_200135323944 [0,1,0,0,0,0|1,1,1]=4 3220 B12R0.95 CSCCC(=O)CCCSC(=O)C 1458a_100000174002_100000038929 [0,1,0,0,0,0|1,1,1]=4 3221 B12R0.95 CSCCC(=O)NCCOC(=O)C 11a_100000724843_100000174002 [0,1,0,0,0,0|2,0,1]=4 3222 B12R0.95 CSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000174002 [0,1,0,0,0,0|2,0,1]=4 3223 B12R0.95 CSCCC(=O)NCCOC(=O)C 527a_100000724843_100000174002 [0,1,0,0,0,0|2,0,1]=4 3224 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,1,0,0,0,0|3,0,0]=4 3225 B12R0.95 CSCCN(C)CCCOC(=O)C 269982a_100000686725_100000042594 [0,1,0,0,0,0|2,0,0]=3 3226 B12R0.95 CSCCN(C)CCCOC(=S)C 2230a_100000686725_200135323944 [0,1,0,0,0,0|2,1,0]=4 3227 B12R0.95 CSCCN(C)CCCOC(=S)C 269982a_100000686725_200135323944 [0,1,0,0,0,0|2,1,0]=4 3228 B12R0.95 CSCCN(C)CCCSC(=O)C 2230a_100000686725_100000038929 [0,1,0,0,0,0|2,1,0]=4 3229 B12R0.95 CSCCN(C)CCCSC(=O)C 269982a_100000686725_100000038929 [0,1,0,0,0,0|2,1,0]=4 3230 B12R0.95 CSCC[C@H](N)COCOC(=O)C 34a_100011827619_100009813279 [0,1,0,0,0,0|2,0,0]=3 3231 B12R0.119 CC(C)(C)OCCCCCCCBr 34a_100000760002_100000210625 [0,1,0,0,0,0|2,0,1]=4 3232 B12R0.119 CC(C)(C)OCCCCCCCN 34a_100011996573_100000210625 [0,1,0,0,0,0|2,0,1]=4 3233 B12R0.119 CC(C)(C)OCCCCCCCO 34a_100015890283_100000760002 [0,1,0,0,0,0|2,0,1]=4 3234 B12R0.119 CC(C)(C)OCCCCCCCO 7a_100015890283_100000760002 [0,1,0,0,0,0|2,0,1]=4 3235 B12R0.119 CCCCCCCCNC(C)(C)C 2230a_100000715429_100000210759 [0,1,0,0,0,0|2,0,1]=4 3236 B12R0.119 CCCCCCCCNC(C)(C)C 34a_100000229939_100000210625 [0,1,0,0,0,0|2,0,1]=4 3237 B12R0.119 CCCCCCCCNS(=O)(=O)C 40a_100000229939_100000738038 [0,1,0,0,0,0|2,0,0]=3 3238 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100000210232_100000210625 [0,1,0,0,0,0|1,0,1]=3 3239 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100015890283_100000210759 [0,1,0,0,0,0|1,0,1]=3 3240 B12R0.119 CCCCCCCCOC(C)(C)C 7a_100015890283_100000210759 [0,1,0,0,0,0|1,0,1]=3 3241 B12R0.119 CCCCCCCCOC(F)(F)F 34a_100000210232_200103152311 [0,1,0,0,0,0|2,0,1]=4 3242 B12R0.119 CCCCCCCCOC(F)(F)F 7a_100000210232_200000243211 [0,1,0,0,0,0|2,0,1]=4 3243 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000210759_100000211941 [0,1,0,0,0,0|1,1,1]=4 3244 B12R0.119 CCCCCCCCSC(C)(C)C 62a_100000211941_100000210317 [0,1,0,0,0,0|1,1,1]=4 3245 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000210581_100000731031 [0,1,0,0,0,0|3,0,0]=4 3246 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210314 [0,1,0,0,0,0|3,0,0]=4 3247 B12R0.119 CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210314 [0,1,0,0,0,0|3,0,0]=4 3248 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,1,0,0,0,0|3,0,0]=4 3249 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,1,0,0,0,0|3,0,0]=4 3250 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,1,0,0,0,0|3,0,0]=4 3251 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,1,0,0,0,0|3,0,0]=4 3252 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000210314_100000230027 [0,1,0,0,0,0|3,0,0]=4 3253 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210757 [0,1,0,0,0,0|3,0,0]=4 3254 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,1,0,0,0,0|3,0,0]=4 3255 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,1,0,0,0,0|3,0,0]=4 3256 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,1,0,0,0,0|3,0,0]=4 3257 B12R0.119 CCCCCNCCNS(=O)(=O)C 2230a_100000209983_100000754112 [0,1,0,0,0,0|3,0,0]=4 3258 B12R0.119 CCCCCNCCNS(=O)(=O)C 34a_100000752411_100000718602 [0,1,0,0,0,0|3,0,0]=4 3259 B12R0.119 CCCCCNCCOC(C)(C)C 2230a_100000747557_100000210326 [0,1,0,0,0,0|2,0,1]=4 3260 B12R0.119 CCCCCNCCOC(C)(C)C 34a_100000224656_100000210625 [0,1,0,0,0,0|2,0,1]=4 3261 B12R0.119 CCCCCNCCOS(=O)(=O)C 2230a_100000209983_200000036756 [0,1,0,0,0,0|2,0,0]=3 3262 B12R0.119 CCCCCNCCO[Si](C)(C)C 2230a_100000209983_200000032530 [0,1,0,0,0,0|2,1,0]=4 3263 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,1,0,0,0,0|3,0,0]=4 3264 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,1,0,0,0,0|3,0,0]=4 3265 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,1,0,0,0,0|3,0,0]=4 3266 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,1,0,0,0,0|3,0,0]=4 3267 B12R0.119 CCCCCOCCNS(=O)(=O)C 7a_100000210253_100000754112 [0,1,0,0,0,0|3,0,0]=4 3268 B12R0.119 CCCCCOCCOC(C)(C)C 34a_100000693234_100000718602 [0,1,0,0,0,0|2,0,1]=4 3269 B12R0.119 CCCCCOCCOC(C)(C)C 34a_100011215259_100000210625 [0,1,0,0,0,0|2,0,1]=4 3270 B12R0.119 CCCCCOCCOC(C)(C)C 7a_100000693234_100000210326 [0,1,0,0,0,0|2,0,1]=4 3271 B12R0.119 CCCCCOCCOS(=O)(=O)C 34a_100000210253_200000036756 [0,1,0,0,0,0|2,0,0]=3 3272 B12R0.119 CCCCCOCCOS(=O)(=O)C 7a_100000210253_200000036756 [0,1,0,0,0,0|2,0,0]=3 3273 B12R0.119 CCCCCOCCO[Si](C)(C)C 34a_100000210253_200000032530 [0,1,0,0,0,0|2,1,0]=4 3274 B12R0.119 CCCCCOCCO[Si](C)(C)C 7a_100000210253_200000032530 [0,1,0,0,0,0|2,1,0]=4 3275 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,1,0,0,0,0|3,0,0]=4 3276 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,1,0,0,0,0|3,0,0]=4 3277 B12R0.119 CCCCCSCCNS(=O)(=O)C 62a_100000210326_100000754112 [0,1,0,0,0,0|3,0,0]=4 3278 B12R0.119 CCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210326 [0,1,0,0,0,0|3,0,0]=4 3279 B12R0.119 CCCCCSCCOS(=O)(=O)C 62a_100000210326_200000036756 [0,1,0,0,0,0|2,0,0]=3 3280 B12R0.119 CCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210326 [0,1,0,0,0,0|2,0,0]=3 3281 B12R0.119 CCCCCSCCO[Si](C)(C)C 62a_100000210326_200000032530 [0,1,0,0,0,0|2,1,0]=4 3282 B12R0.119 CCCCCSCCO[Si](C)(C)C 62a_200000032530_100000210326 [0,1,0,0,0,0|2,1,0]=4 3283 B12R0.119 CCCCNCCCNS(=O)(=O)C 34a_100000736790_100000210210 [0,1,0,0,0,0|3,0,0]=4 3284 B12R0.119 CCCCNCCCOC(C)(C)C 2230a_100011250582_100000210211 [0,1,0,0,0,0|2,0,1]=4 3285 B12R0.119 CCCCOCCCNS(=O)(=O)C 40a_200000211371_100000738038 [0,1,0,0,0,0|3,0,0]=4 3286 B12R0.119 CCCCOCCCOC(C)(C)C 34a_200011215613_100000210625 [0,1,0,0,0,0|2,0,1]=4 3287 B12R0.119 CCNCCOCCOS(=O)(=O)C 2230a_100015525214_100015571617 [0,1,0,0,0,0|3,0,0]=4 3288 B12R0.119 CCOCCNCCOS(=O)(=O)C 2230a_102516460346_200000036756 [0,1,0,0,0,0|3,0,0]=4 3289 B12R0.119 CCOCCNCCOS(=O)(=O)C 34a_102516460346_200000036756 [0,1,0,0,0,0|3,0,0]=4 3290 B12R0.119 CCOCCOCCOS(=O)(=O)C 34a_100000210136_200000036756 [0,1,0,0,0,0|3,0,0]=4 3291 B12R0.119 CCOCCOCCOS(=O)(=O)C 34a_100121572206_100015571617 [0,1,0,0,0,0|3,0,0]=4 3292 B12R0.119 CCOCCOCCOS(=O)(=O)C 7a_100000210136_200000036756 [0,1,0,0,0,0|3,0,0]=4 3293 B12R0.119 CCOCCSCCOS(=O)(=O)C 62a_100000210147_200000036756 [0,1,0,0,0,0|3,0,0]=4 3294 B12R0.119 CCOCCSCCOS(=O)(=O)C 62a_200000036756_100011215890 [0,1,0,0,0,0|3,0,0]=4 3295 B12R0.119 CCSCCNCCOS(=O)(=O)C 2230a_100000106463_200000036756 [0,1,0,0,0,0|3,0,0]=4 3296 B12R0.119 CCSCCOCCOS(=O)(=O)C 34a_100000212035_200000036756 [0,1,0,0,0,0|3,0,0]=4 3297 B12R0.119 CCSCCOCCOS(=O)(=O)C 62a_100000210202_100015571617 [0,1,0,0,0,0|3,0,0]=4 3298 B12R0.119 CCSCCOCCOS(=O)(=O)C 62a_100015571617_100000210202 [0,1,0,0,0,0|3,0,0]=4 3299 B12R0.119 CCSCCOCCOS(=O)(=O)C 7a_100000212035_200000036756 [0,1,0,0,0,0|3,0,0]=4 3300 B12R0.119 CCSCCSCCOS(=O)(=O)C 62a_100000757381_200000036756 [0,1,0,0,0,0|3,0,0]=4 3301 B12R0.119 CCSCCSCCOS(=O)(=O)C 62a_200000036756_100000757381 [0,1,0,0,0,0|3,0,0]=4 3302 B12R0.119 CNCCCOCCOS(=O)(=O)C 34a_100000213112_200000036756 [0,1,0,0,0,0|3,0,0]=4 3303 B12R0.119 COCCCCCCOC(C)(C)C 34a_100015890283_100011998445 [0,1,0,0,0,0|2,0,1]=4 3304 B12R0.119 COCCCCCCOC(C)(C)C 34a_200012092642_100000210625 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.119 COCCCCCCOC(C)(C)C 7a_100015890283_100011998445 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.119 COCCCNCCOS(=O)(=O)C 34a_100150723488_200000036756 [0,1,0,0,0,0|3,0,0]=4 3307 B12R0.119 COCCCOCCOS(=O)(=O)C 34a_100000740835_200000036756 [0,1,0,0,0,0|3,0,0]=4 3308 B12R0.119 COCCCSCCOS(=O)(=O)C 62a_100000709357_200000036756 [0,1,0,0,0,0|3,0,0]=4 3309 B12R0.119 COCCCSCCOS(=O)(=O)C 62a_200000036756_100000709357 [0,1,0,0,0,0|3,0,0]=4 3310 B12R0.119 CS(=O)(=O)NCCCCCCCO 40a_100011996573_100000738038 [0,1,0,0,0,0|3,0,0]=4 3311 B12R0.119 CS(=O)(=O)OCCNCCCCO 2230a_100000750430_200000036756 [0,1,0,0,0,0|3,0,0]=4 3312 B12R0.119 CS(=O)(=O)OCCNCCCCO 34a_100000750430_200000036756 [0,1,0,0,0,0|3,0,0]=4 3313 B12R0.119 CS(=O)(=O)OCCOCCCCBr 34a_100011216708_200000036756 [0,1,0,0,0,0|3,0,0]=4 3314 B12R0.119 CS(=O)(=O)OCCOCCCCCl 34a_100000210776_200000036756 [0,1,0,0,0,0|3,0,0]=4 3315 B12R0.119 CS(=O)(=O)OCCOCCCCCl 7a_100000210776_200000036756 [0,1,0,0,0,0|3,0,0]=4 3316 B12R0.119 CS(=O)(=O)OCCOCCCCF 34a_100011995726_200000036756 [0,1,0,0,0,0|3,0,0]=4 3317 B12R0.119 CS(=O)(=O)OCCOCCCCF 7a_100011995726_200000036756 [0,1,0,0,0,0|3,0,0]=4 3318 B12R0.119 CS(=O)(=O)OCCOCCCCI 34a_200012148704_200000036756 [0,1,0,0,0,0|3,0,0]=4 3319 B12R0.119 CS(=O)(=O)OCCOCCCCN 34a_100000750430_200000036756 [0,1,0,0,0,0|3,0,0]=4 3320 B12R0.119 CS(=O)(=O)OCCSCCCCF 62a_100000729493_200000036756 [0,1,0,0,0,0|3,0,0]=4 3321 B12R0.119 CS(=O)(=O)OCCSCCCCF 62a_200000036756_100000729493 [0,1,0,0,0,0|3,0,0]=4 3322 B12R0.119 CS(=O)(=O)OCCSCCCCO 62a_100000210776_200000036756 [0,1,0,0,0,0|3,0,0]=4 3323 B12R0.119 CS(=O)(=O)OCCSCCCCO 62a_200000036756_100000210776 [0,1,0,0,0,0|3,0,0]=4 3324 B12R0.119 CSCCCNCCOS(=O)(=O)C 2230a_100000749238_200000036756 [0,1,0,0,0,0|3,0,0]=4 3325 B12R0.119 CSCCCOCCOS(=O)(=O)C 34a_100000690336_200000036756 [0,1,0,0,0,0|3,0,0]=4 3326 B12R0.119 CSCCCOCCOS(=O)(=O)C 7a_100000690336_200000036756 [0,1,0,0,0,0|3,0,0]=4 3327 B12R0.184 C#CC(=O)CCCCCOC(=O)C 1458a_100000211873_100000033007 [0,1,0,0,0,0|0,0,3]=4 3328 B12R0.184 C#CC(C)NCCCCOC(=O)C 34a_100000707721_100000033659 [0,1,0,0,0,0|1,0,2]=4 3329 B12R0.184 C#CC(C)OCCCCOC(=O)C 34a_100000073216_200000035995 [0,1,0,0,0,0|1,0,2]=4 3330 B12R0.184 C#CC(C)SCCCCOC(=O)C 62a_200000035995_100000033659 [0,1,0,0,0,0|1,0,2]=4 3331 B12R0.184 C#C[C@@H](C)OCCCCOC(=O)C 34a_100009815206_100000033659 [0,1,0,0,0,0|1,0,2]=4 3332 B12R0.184 C#C[C@@H](C)OCCCCOC(=O)C 7a_100009815206_100000033659 [0,1,0,0,0,0|1,0,2]=4 3333 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,1,0,0,0,0|3,0,0]=4 3334 B12R0.184 C=CC(=O)CCCCCOC(=O)C 1458a_100000185746_100000033007 [0,1,0,0,0,0|0,0,3]=4 3335 B12R0.184 C=CC(C)COCCCOC(=O)C 34a_100011215527_100000042594 [0,1,0,0,0,0|1,0,2]=4 3336 B12R0.184 C=CC(C)COCCCOC(=O)C 7a_100011215527_100000042594 [0,1,0,0,0,0|1,0,2]=4 3337 B12R0.184 C=CC(C)OCCCCOC(=O)C 34a_100000695699_100000033659 [0,1,0,0,0,0|1,0,2]=4 3338 B12R0.184 C=CC(C)SCCCCOC(=O)C 62a_100011215867_100000033659 [0,1,0,0,0,0|1,0,2]=4 3339 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000042594_100000730141 [0,1,0,0,0,0|1,0,2]=4 3340 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000730141_100000042594 [0,1,0,0,0,0|1,0,2]=4 3341 B12R0.184 C=C[C@H](N)COCCCOC(=O)C 34a_100016989147_100000042594 [0,1,0,0,0,0|1,0,2]=4 3342 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,1,0,0,0,0|3,0,0]=4 3343 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,1,0,0,0,0|3,0,0]=4 3344 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,1,0,0,0,0|3,0,0]=4 3345 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,1,0,0,0,0|3,0,0]=4 3346 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,1,0,0,0,0|3,0,0]=4 3347 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,1,0,0,0,0|3,0,0]=4 3348 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,1,0,0,0,0|3,0,0]=4 3349 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,1,0,0,0,0|3,0,0]=4 3350 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,1,0,0,0,0|3,0,0]=4 3351 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,1,0,0,0,0|3,0,0]=4 3352 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,1,0,0,0,0|3,0,0]=4 3353 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,1,0,0,0,0|3,0,0]=4 3354 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,1,0,0,0,0|3,0,0]=4 3355 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,1,0,0,0,0|3,0,0]=4 3356 B12R0.184 CC(=O)NCCCCCC(=O)CF 1458a_100000183861_100015361967 [0,1,0,0,0,0|2,0,1]=4 3357 B12R0.184 CC(=O)NCCCCNC(C)CO 2230a_200011368371_100012180447 [0,1,0,0,0,0|3,0,0]=4 3358 B12R0.184 CC(=O)NCCCCNC(C)CO 34a_200011368371_100012180447 [0,1,0,0,0,0|3,0,0]=4 3359 B12R0.184 CC(=O)NCCCNCC(O)CO 34a_100000736810_100011219619 [0,1,0,0,0,0|3,0,0]=4 3360 B12R0.184 CC(=O)NCCCNC[C@@H](C)CO 34a_100000736810_100000059175 [0,1,0,0,0,0|3,0,0]=4 3361 B12R0.184 CC(=O)NCCCNC[C@@H](O)CF 34a_100000736810_100015614560 [0,1,0,0,0,0|3,0,0]=4 3362 B12R0.184 CC(=O)NCCCNC[C@@H](O)CO 34a_100000736810_100009815848 [0,1,0,0,0,0|3,0,0]=4 3363 B12R0.184 CC(=O)NCCCOCC(O)CO 34a_100000752032_100011219619 [0,1,0,0,0,0|3,0,0]=4 3364 B12R0.184 CC(=O)NCCCOC[C@@H](C)CO 34a_100000752032_100000059175 [0,1,0,0,0,0|3,0,0]=4 3365 B12R0.184 CC(=O)NCCCOC[C@@H](O)CF 34a_100000752032_100015614560 [0,1,0,0,0,0|3,0,0]=4 3366 B12R0.184 CC(=O)NCCCOC[C@@H](O)CO 34a_100000752032_100009815848 [0,1,0,0,0,0|3,0,0]=4 3367 B12R0.184 CC(=O)NCCNCCC(C)CO 2230a_106354213184_100000189650 [0,1,0,0,0,0|3,0,0]=4 3368 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,1,0,0,0,0|1,0,1]=3 3369 B12R0.184 CC(=O)OCCCCOC(C)C#N 34a_100011218135_100000033659 [0,1,0,0,0,0|2,0,1]=4 3370 B12R0.184 CC(=O)OCCCCOC(C)C#N 7a_100000073216_100000703298 [0,1,0,0,0,0|2,0,1]=4 3371 B12R0.184 CC(=O)OCCCCOC(C)CF 34a_100016041109_100000033659 [0,1,0,0,0,0|2,0,0]=3 3372 B12R0.184 CC(=O)OCCCCOC(C)CF 7a_100016041109_100000033659 [0,1,0,0,0,0|2,0,0]=3 3373 B12R0.184 CC(=O)OCCCCOC(C)CN 34a_100000210904_100000033659 [0,1,0,0,0,0|2,0,0]=3 3374 B12R0.184 CC(=O)OCCCCOC(C)CO 34a_100000073216_100012180447 [0,1,0,0,0,0|2,0,0]=3 3375 B12R0.184 CC(=O)OCCCCOC(C)CO 7a_100000073216_100012180447 [0,1,0,0,0,0|2,0,0]=3 3376 B12R0.184 CC(=O)OCCCCSC(C)C#N 62a_100000033659_100000703298 [0,1,0,0,0,0|2,0,1]=4 3377 B12R0.184 CC(=O)OCCCCSC(C)C#N 62a_100000703298_100000033659 [0,1,0,0,0,0|2,0,1]=4 3378 B12R0.184 CC(=O)OCCCCSC(C)CO 62a_100012180447_100000033659 [0,1,0,0,0,0|2,0,0]=3 3379 B12R0.184 CC(=O)OCCCCSC(F)C#N 62a_100000033659_200000117898 [0,1,0,0,0,0|2,0,1]=4 3380 B12R0.184 CC(=O)OCCCCSC(F)C#N 62a_200000117898_100000033659 [0,1,0,0,0,0|2,0,1]=4 3381 B12R0.184 CC(=O)OCCCCS[C@H](C)CO 62a_100000033659_100016084084 [0,1,0,0,0,0|2,0,0]=3 3382 B12R0.184 CC(=O)OCCCCS[C@H](C)CO 62a_100016084084_100000033659 [0,1,0,0,0,0|2,0,0]=3 3383 B12R0.184 CC(=O)OCCCNCC(C)CO 34a_100000744482_100000042594 [0,1,0,0,0,0|2,0,0]=3 3384 B12R0.184 CC(=O)OCCCNC[C@@H](F)CO 34a_100015665980_100000042594 [0,1,0,0,0,0|2,0,0]=3 3385 B12R0.184 CC(=O)OCCCOCC(C)CN 34a_100000744482_100000042594 [0,1,0,0,0,0|2,0,0]=3 3386 B12R0.184 CC(=O)OCCCOCC(Cl)CCl 34a_100000033668_100000042594 [0,1,0,0,0,0|2,0,0]=3 3387 B12R0.184 CC(=O)OCCCOC[C@H](F)CN 34a_100015665980_100000042594 [0,1,0,0,0,0|2,0,0]=3 3388 B12R0.184 CC(=O)OCCCSCC(O)CO 62a_100000042594_100011219619 [0,1,0,0,0,0|2,0,0]=3 3389 B12R0.184 CC(=O)OCCCSCC(O)CO 62a_100011219619_100000042594 [0,1,0,0,0,0|2,0,0]=3 3390 B12R0.184 CC(=O)OCCCSC[C@@H](C)CO 62a_100000042594_100000059175 [0,1,0,0,0,0|2,0,0]=3 3391 B12R0.184 CC(=O)OCCCSC[C@@H](C)CO 62a_100000059175_100000042594 [0,1,0,0,0,0|2,0,0]=3 3392 B12R0.184 CC(=O)OCCCSC[C@@H](O)CF 62a_100000042594_100015614560 [0,1,0,0,0,0|2,0,0]=3 3393 B12R0.184 CC(=O)OCCCSC[C@@H](O)CF 62a_100015614560_100000042594 [0,1,0,0,0,0|2,0,0]=3 3394 B12R0.184 CC(=O)OCCCSC[C@@H](O)CO 62a_100000042594_100009815848 [0,1,0,0,0,0|2,0,0]=3 3395 B12R0.184 CC(=O)OCCCSC[C@@H](O)CO 62a_100009815848_100000042594 [0,1,0,0,0,0|2,0,0]=3 3396 B12R0.184 CC(=O)OCCNCCC(C)CO 34a_106354213184_100009814007 [0,1,0,0,0,0|2,0,0]=3 3397 B12R0.184 CC(=O)OCCOCCC(=O)CO 1458a_100000210174_200000083610 [0,1,0,0,0,0|2,0,1]=4 3398 B12R0.184 CC(=O)OCCOCOC(C)CF 34a_100016041109_100000076355 [0,1,0,0,0,0|3,0,0]=4 3399 B12R0.184 CC(=O)OCCOCOC(C)CN 34a_100000210904_100000076355 [0,1,0,0,0,0|3,0,0]=4 3400 B12R0.184 CC(=O)OCCOCSC(C)CO 62a_100012180447_100000076355 [0,1,0,0,0,0|3,0,0]=4 3401 B12R0.184 CC(=O)OCCOCS[C@H](C)CO 62a_100000076355_100016084084 [0,1,0,0,0,0|3,0,0]=4 3402 B12R0.184 CC(=O)OCCOCS[C@H](C)CO 62a_100016084084_100000076355 [0,1,0,0,0,0|3,0,0]=4 3403 B12R0.184 CC(=O)OCOCCC[C@@H](C)CN 34a_100160569302_100009813279 [0,1,0,0,0,0|2,0,0]=3 3404 B12R0.184 CC(=O)SCCCCN[C@H](C)CO 2230a_100000737577_200010402107 [0,1,0,0,0,0|2,1,0]=4 3405 B12R0.184 CC(=O)SCCCCOC(C)CF 34a_100016041109_200010402107 [0,1,0,0,0,0|2,1,0]=4 3406 B12R0.184 CC(=O)SCCCCOC(C)CF 7a_100016041109_200010402107 [0,1,0,0,0,0|2,1,0]=4 3407 B12R0.184 CC(=O)SCCCCOC(C)CN 34a_100000210904_200010402107 [0,1,0,0,0,0|2,1,0]=4 3408 B12R0.184 CC(=O)SCCCCSC(C)CO 62a_100012180447_200010402107 [0,1,0,0,0,0|2,1,0]=4 3409 B12R0.184 CC(=O)SCCCCS[C@H](C)CO 62a_100016084084_200010402107 [0,1,0,0,0,0|2,1,0]=4 3410 B12R0.184 CC(=O)SCCCCS[C@H](C)CO 62a_200010402107_100016084084 [0,1,0,0,0,0|2,1,0]=4 3411 B12R0.184 CC(=O)SCCCNCC(C)CO 34a_100000744482_100000038929 [0,1,0,0,0,0|2,1,0]=4 3412 B12R0.184 CC(=O)SCCCNC[C@@H](F)CO 34a_100015665980_100000038929 [0,1,0,0,0,0|2,1,0]=4 3413 B12R0.184 CC(=O)SCCCNC[C@H](O)CO 2230a_100020644852_100000038929 [0,1,0,0,0,0|2,1,0]=4 3414 B12R0.184 CC(=O)SCCCOCC(C)CN 34a_100000744482_100000038929 [0,1,0,0,0,0|2,1,0]=4 3415 B12R0.184 CC(=O)SCCCOCC(Cl)CCl 34a_100000033668_100000038929 [0,1,0,0,0,0|2,1,0]=4 3416 B12R0.184 CC(=O)SCCCOC[C@H](F)CN 34a_100015665980_100000038929 [0,1,0,0,0,0|2,1,0]=4 3417 B12R0.184 CC(=O)SCCCSCC(O)CO 62a_100000038929_100011219619 [0,1,0,0,0,0|2,1,0]=4 3418 B12R0.184 CC(=O)SCCCSCC(O)CO 62a_100011219619_100000038929 [0,1,0,0,0,0|2,1,0]=4 3419 B12R0.184 CC(=O)SCCCSC[C@@H](C)CO 62a_100000038929_100000059175 [0,1,0,0,0,0|2,1,0]=4 3420 B12R0.184 CC(=O)SCCCSC[C@@H](C)CO 62a_100000059175_100000038929 [0,1,0,0,0,0|2,1,0]=4 3421 B12R0.184 CC(=O)SCCCSC[C@@H](O)CF 62a_100000038929_100015614560 [0,1,0,0,0,0|2,1,0]=4 3422 B12R0.184 CC(=O)SCCCSC[C@@H](O)CF 62a_100015614560_100000038929 [0,1,0,0,0,0|2,1,0]=4 3423 B12R0.184 CC(=O)SCCCSC[C@@H](O)CO 62a_100000038929_100009815848 [0,1,0,0,0,0|2,1,0]=4 3424 B12R0.184 CC(=O)SCCCSC[C@@H](O)CO 62a_100009815848_100000038929 [0,1,0,0,0,0|2,1,0]=4 3425 B12R0.184 CC(=S)OCCCNCC(C)CO 34a_100000744482_200135323944 [0,1,0,0,0,0|2,1,0]=4 3426 B12R0.184 CC(=S)OCCCNC[C@@H](F)CO 34a_100015665980_200135323944 [0,1,0,0,0,0|2,1,0]=4 3427 B12R0.184 CC(=S)OCCCNC[C@H](O)CO 2230a_100020644852_200135323944 [0,1,0,0,0,0|2,1,0]=4 3428 B12R0.184 CC(=S)OCCCOCC(C)CN 34a_100000744482_200135323944 [0,1,0,0,0,0|2,1,0]=4 3429 B12R0.184 CC(=S)OCCCOCC(Cl)CCl 34a_100000033668_200135323944 [0,1,0,0,0,0|2,1,0]=4 3430 B12R0.184 CC(=S)OCCCOC[C@H](F)CN 34a_100015665980_200135323944 [0,1,0,0,0,0|2,1,0]=4 3431 B12R0.184 CC(=S)OCCCSCC(O)CO 62a_100011219619_200135323944 [0,1,0,0,0,0|2,1,0]=4 3432 B12R0.184 CC(=S)OCCCSCC(O)CO 62a_200135323944_100011219619 [0,1,0,0,0,0|2,1,0]=4 3433 B12R0.184 CC(=S)OCCCSC[C@@H](C)CO 62a_100000059175_200135323944 [0,1,0,0,0,0|2,1,0]=4 3434 B12R0.184 CC(=S)OCCCSC[C@@H](C)CO 62a_200135323944_100000059175 [0,1,0,0,0,0|2,1,0]=4 3435 B12R0.184 CC(=S)OCCCSC[C@@H](O)CF 62a_100015614560_200135323944 [0,1,0,0,0,0|2,1,0]=4 3436 B12R0.184 CC(=S)OCCCSC[C@@H](O)CF 62a_200135323944_100015614560 [0,1,0,0,0,0|2,1,0]=4 3437 B12R0.184 CC(=S)OCCCSC[C@@H](O)CO 62a_100009815848_200135323944 [0,1,0,0,0,0|2,1,0]=4 3438 B12R0.184 CC(=S)OCCCSC[C@@H](O)CO 62a_200135323944_100009815848 [0,1,0,0,0,0|2,1,0]=4 3439 B12R0.184 CC(CO)CCNCCOC(=O)N 34a_106354213184_200011214921 [0,1,0,0,0,0|3,0,0]=4 3440 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,1,0,0,0,0|1,0,1]=3 3441 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,1,0,0,0,0|0,0,1]=2 3442 B12R0.184 CCC(=O)CCOCCOC(=O)C 1458a_100000210414_200000083610 [0,1,0,0,0,0|1,0,1]=3 3443 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,1,0,0,0,0|2,0,1]=4 3444 B12R0.184 CCC(=O)COCCCOC(=O)C 34a_100000725409_100000042594 [0,1,0,0,0,0|1,0,1]=3 3445 B12R0.184 CCC(=O)COCCCOC(=S)C 34a_100000725409_200135323944 [0,1,0,0,0,0|1,1,1]=4 3446 B12R0.184 CCC(=O)COCCCSC(=O)C 34a_100000725409_100000038929 [0,1,0,0,0,0|1,1,1]=4 3447 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,1,0,0,0,0|2,0,1]=4 3448 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,1,0,0,0,0|2,0,1]=4 3449 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747405 [0,1,0,0,0,0|1,0,1]=3 3450 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000747405_100000042594 [0,1,0,0,0,0|1,0,1]=3 3451 B12R0.184 CCC(=O)CSCCCOC(=S)C 62a_100000747405_200135323944 [0,1,0,0,0,0|1,1,1]=4 3452 B12R0.184 CCC(=O)CSCCCOC(=S)C 62a_200135323944_100000747405 [0,1,0,0,0,0|1,1,1]=4 3453 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000038929_100000747405 [0,1,0,0,0,0|1,1,1]=4 3454 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000747405_100000038929 [0,1,0,0,0,0|1,1,1]=4 3455 B12R0.184 CCC(=O)NCCCCNC(=O)C 11a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 3456 B12R0.184 CCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 3457 B12R0.184 CCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 3458 B12R0.184 CCC(=O)NCCCCNC(=O)C 527a_200011368371_100000210414 [0,1,0,0,0,0|2,0,1]=4 3459 B12R0.184 CCC(=O)NCCNCOC(=O)C 34a_100132302217_100009813279 [0,1,0,0,0,0|2,0,1]=4 3460 B12R0.184 CCC(=O)NCCOCOC(=O)C 34a_200000158885_100009813279 [0,1,0,0,0,0|2,0,1]=4 3461 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,1,0,0,0,0|1,0,1]=3 3462 B12R0.184 CCC(C)CCCOCC=C(C)C 7a_100011216074_100000761012 [0,1,0,0,0,0|3,0,0]=4 3463 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,1,0,0,0,0|2,0,0]=3 3464 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,1,0,0,0,0|3,0,0]=4 3465 B12R0.184 CCC(C)CCNCCC=C(C)C 2230a_100020591266_100011217483 [0,1,0,0,0,0|3,0,0]=4 3466 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,1,0,0,0,0|2,0,0]=3 3467 B12R0.184 CCC(C)CCNCCNC(=O)N 2230a_100020591266_200000034859 [0,1,0,0,0,0|3,0,0]=4 3468 B12R0.184 CCC(C)CCNCCOC(C)C 2230a_100020591266_100000211751 [0,1,0,0,0,0|2,0,1]=4 3469 B12R0.184 CCC(C)CCOCCC=C(C)C 7a_100011215188_100011217483 [0,1,0,0,0,0|3,0,0]=4 3470 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,1,0,0,0,0|2,0,0]=3 3471 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,1,0,0,0,0|3,0,0]=4 3472 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,1,0,0,0,0|2,0,0]=3 3473 B12R0.184 CCC(C)CCOCCNC(=O)N 7a_100011215188_200000034859 [0,1,0,0,0,0|3,0,0]=4 3474 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,1,0,0,0,0|1,0,0]=2 3475 B12R0.184 CCC(C)CCOCCOC(=O)N 7a_100011215188_200011214921 [0,1,0,0,0,0|2,0,0]=3 3476 B12R0.184 CCC(C)CCOCCOC(C)C 7a_100011215188_100000211751 [0,1,0,0,0,0|2,0,1]=4 3477 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,1,0,0,0,0|3,0,0]=4 3478 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,1,0,0,0,0|3,0,0]=4 3479 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,1,0,0,0,0|2,0,0]=3 3480 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,1,0,0,0,0|2,0,0]=3 3481 B12R0.184 CCC(C)CNCCCOC(=S)C 2230a_100020588543_200135323944 [0,1,0,0,0,0|1,1,0]=3 3482 B12R0.184 CCC(C)CNCCCOC(C)C 2230a_100000737246_100000748023 [0,1,0,0,0,0|2,0,1]=4 3483 B12R0.184 CCC(C)CNCCCOC(C)C 270004a_100000737246_100000243153 [0,1,0,0,0,0|2,0,1]=4 3484 B12R0.184 CCC(C)CNCCCOC(C)C 34a_100000737246_100000748023 [0,1,0,0,0,0|2,0,1]=4 3485 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,1,0,0,0,0|1,1,0]=3 3486 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,1,0,0,0,0|3,0,0]=4 3487 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,1,0,0,0,0|3,0,0]=4 3488 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,1,0,0,0,0|2,0,0]=3 3489 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,1,0,0,0,0|2,0,0]=3 3490 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,1,0,0,0,0|2,0,0]=3 3491 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,1,0,0,0,0|1,0,0]=2 3492 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,1,0,0,0,0|1,0,0]=2 3493 B12R0.184 CCC(C)CSCCCOC(=S)C 62a_100000748023_200135323944 [0,1,0,0,0,0|1,1,0]=3 3494 B12R0.184 CCC(C)CSCCCOC(=S)C 62a_200135323944_100000748023 [0,1,0,0,0,0|1,1,0]=3 3495 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,1,0,0,0,0|1,1,0]=3 3496 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,1,0,0,0,0|1,1,0]=3 3497 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,1,0,0,0,0|3,0,0]=4 3498 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,1,0,0,0,0|2,0,0]=3 3499 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,1,0,0,0,0|2,0,0]=3 3500 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,1,0,0,0,0|1,1,0]=3 3501 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,1,0,0,0,0|3,0,0]=4 3502 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,1,0,0,0,0|3,0,0]=4 3503 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,1,0,0,0,0|3,0,0]=4 3504 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,1,0,0,0,0|3,0,0]=4 3505 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,1,0,0,0,0|1,0,0]=2 3506 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,1,0,0,0,0|1,0,0]=2 3507 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,1,0,0,0,0|1,0,0]=2 3508 B12R0.184 CCC(C)OCCCCO[N+](=O)[O-] 7a_100000210228_100015694321 [0,1,0,0,0,0|3,0,0]=4 3509 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,1,0,0,0,0|1,1,0]=3 3510 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,1,0,0,0,0|3,0,0]=4 3511 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,1,0,0,0,0|3,0,0]=4 3512 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,1,0,0,0,0|1,0,0]=2 3513 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,1,0,0,0,0|1,0,0]=2 3514 B12R0.184 CCC(C)SCCCCO[N+](=O)[O-] 62a_100000758301_100015694321 [0,1,0,0,0,0|3,0,0]=4 3515 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,1,0,0,0,0|1,1,0]=3 3516 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,1,0,0,0,0|1,1,0]=3 3517 B12R0.184 CCC(C)SCOCCOC(=O)C 62a_100000076355_100000758301 [0,1,0,0,0,0|2,0,0]=3 3518 B12R0.184 CCC(C)SCOCCOC(=O)C 62a_100000758301_100000076355 [0,1,0,0,0,0|2,0,0]=3 3519 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,1,0,0,0,0|3,0,0]=4 3520 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,1,0,0,0,0|2,0,0]=3 3521 B12R0.184 CCC(O)CNCCCOC(=S)C 2230a_100011218483_200135323944 [0,1,0,0,0,0|1,1,0]=3 3522 B12R0.184 CCC(O)CNCCCOC(C)C 2230a_100000737246_100011218378 [0,1,0,0,0,0|2,0,1]=4 3523 B12R0.184 CCC(O)CNCCCOC(C)C 34a_100000737246_100011218378 [0,1,0,0,0,0|2,0,1]=4 3524 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,1,0,0,0,0|1,1,0]=3 3525 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,1,0,0,0,0|3,0,0]=4 3526 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,1,0,0,0,0|3,0,0]=4 3527 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,1,0,0,0,0|2,0,0]=3 3528 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,1,0,0,0,0|2,0,0]=3 3529 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,1,0,0,0,0|2,0,0]=3 3530 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,1,0,0,0,0|1,0,0]=2 3531 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,1,0,0,0,0|1,0,0]=2 3532 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_100011218378_200135323944 [0,1,0,0,0,0|1,1,0]=3 3533 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_200135323944_100011218378 [0,1,0,0,0,0|1,1,0]=3 3534 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,1,0,0,0,0|1,1,0]=3 3535 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,1,0,0,0,0|1,1,0]=3 3536 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,1,0,0,0,0|1,0,0]=2 3537 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,1,0,0,0,0|1,0,0]=2 3538 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,1,0,0,0,0|3,0,0]=4 3539 B12R0.184 CCN(C)CCCSCCC(=O)C 62a_100000053229_100015186262 [0,1,0,0,0,0|3,0,0]=4 3540 B12R0.184 CCN(C)CCCSCOC(=O)C 62a_100000076356_100015186262 [0,1,0,0,0,0|2,0,0]=3 3541 B12R0.184 CCN(C)CCOCCOC(=O)C 2230a_100000225621_200000083610 [0,1,0,0,0,0|2,0,0]=3 3542 B12R0.184 CCN(C)CCOCCOC(=O)C 269982a_100000225621_200000083610 [0,1,0,0,0,0|2,0,0]=3 3543 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,1,0,0,0,0|3,0,0]=4 3544 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,1,0,0,0,0|2,0,0]=3 3545 B12R0.184 CC[C@H](C)CNCCCOC(C)C 2230a_100000737246_100009816398 [0,1,0,0,0,0|2,0,1]=4 3546 B12R0.184 CC[C@H](C)CNCCCOC(C)C 34a_100000737246_100009816398 [0,1,0,0,0,0|2,0,1]=4 3547 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,1,0,0,0,0|2,0,0]=3 3548 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,1,0,0,0,0|3,0,0]=4 3549 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,1,0,0,0,0|3,0,0]=4 3550 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,1,0,0,0,0|2,0,0]=3 3551 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,1,0,0,0,0|1,0,0]=2 3552 B12R0.184 CC[C@H](C)COCCCOC(=S)C 7a_100009816381_200135323944 [0,1,0,0,0,0|1,1,0]=3 3553 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,1,0,0,0,0|1,1,0]=3 3554 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,1,0,0,0,0|2,0,0]=3 3555 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,1,0,0,0,0|2,0,0]=3 3556 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,1,0,0,0,0|1,0,0]=2 3557 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,1,0,0,0,0|1,0,0]=2 3558 B12R0.184 CC[C@H](C)CSCCCOC(=S)C 62a_100009816398_200135323944 [0,1,0,0,0,0|1,1,0]=3 3559 B12R0.184 CC[C@H](C)CSCCCOC(=S)C 62a_200135323944_100009816398 [0,1,0,0,0,0|1,1,0]=3 3560 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,1,0,0,0,0|1,1,0]=3 3561 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,1,0,0,0,0|1,1,0]=3 3562 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,1,0,0,0,0|2,0,1]=4 3563 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,1,0,0,0,0|2,0,1]=4 3564 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,1,0,0,0,0|2,0,1]=4 3565 B12R0.184 CNC(=O)CCCNCOC(=O)C 34a_100000740002_100009813279 [0,1,0,0,0,0|2,0,1]=4 3566 B12R0.184 CNC(=O)CCCSCOC(=O)C 62a_100000076356_100000741757 [0,1,0,0,0,0|2,0,1]=4 3567 B12R0.184 CNC(=O)CCCSCOC(=O)C 62a_100000741757_100000076356 [0,1,0,0,0,0|2,0,1]=4 3568 B12R0.184 CNC(=O)CCNCCOC(=O)C 34a_100000738227_100009814007 [0,1,0,0,0,0|2,0,1]=4 3569 B12R0.184 CNC(=O)CCOCCOC(=O)C 34a_100000754576_100009814007 [0,1,0,0,0,0|2,0,1]=4 3570 B12R0.184 CNC(=O)CCSCCOC(=O)C 62a_100000737683_100009814007 [0,1,0,0,0,0|2,0,1]=4 3571 B12R0.184 CNC(=O)CCSCCOC(=O)C 62a_100009814007_100000737683 [0,1,0,0,0,0|2,0,1]=4 3572 B12R0.184 CNC(=O)COCCCOC(=O)C 34a_100000750040_100000042594 [0,1,0,0,0,0|2,0,1]=4 3573 B12R0.184 CNC(=O)CSCCCOC(=O)C 62a_100000042594_100000183359 [0,1,0,0,0,0|2,0,1]=4 3574 B12R0.184 CNC(=O)CSCCCOC(=O)C 62a_100000183359_100000042594 [0,1,0,0,0,0|2,0,1]=4 3575 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|2,0,1]=4 3576 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|2,0,1]=4 3577 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|2,0,1]=4 3578 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,1,0,0,0,0|2,0,1]=4 3579 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100000076356_100011218270 [0,1,0,0,0,0|2,0,1]=4 3580 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100011218270_100000076356 [0,1,0,0,0,0|2,0,1]=4 3581 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100000204255_100009814007 [0,1,0,0,0,0|2,0,1]=4 3582 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100009814007_100000204255 [0,1,0,0,0,0|2,0,1]=4 3583 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000042594_100000747449 [0,1,0,0,0,0|2,0,1]=4 3584 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000747449_100000042594 [0,1,0,0,0,0|2,0,1]=4 3585 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,1,0,0,0,0|3,0,0]=4 3586 B12R0.184 COC(C)CCOCCNC(=O)C 7a_100000764861_100000189650 [0,1,0,0,0,0|3,0,0]=4 3587 B12R0.184 COC(C)CCOCCOC(=O)C 7a_100000764861_100009814007 [0,1,0,0,0,0|2,0,0]=3 3588 B12R0.184 COC(C)CCOCCOC(=O)N 7a_100000764861_200011214921 [0,1,0,0,0,0|3,0,0]=4 3589 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,1,0,0,0,0|3,0,0]=4 3590 B12R0.184 COC(C)COCCCOC(=O)C 34a_100000690652_100000042594 [0,1,0,0,0,0|2,0,0]=3 3591 B12R0.184 COC(C)COCCCOC(=S)C 34a_100000690652_200135323944 [0,1,0,0,0,0|2,1,0]=4 3592 B12R0.184 COC(C)COCCCSC(=O)C 34a_100000690652_100000038929 [0,1,0,0,0,0|2,1,0]=4 3593 B12R0.184 COC(C)SCCCCOC(=O)C 62a_100000033659_100009879195 [0,1,0,0,0,0|2,0,0]=3 3594 B12R0.184 COC(C)SCCCCOC(=O)C 62a_100009879195_100000033659 [0,1,0,0,0,0|2,0,0]=3 3595 B12R0.184 COC(C)SCCCCSC(=O)C 62a_100009879195_200010402107 [0,1,0,0,0,0|2,1,0]=4 3596 B12R0.184 COC(C)SCCCCSC(=O)C 62a_200010402107_100009879195 [0,1,0,0,0,0|2,1,0]=4 3597 B12R0.184 COC(C)SCOCCOC(=O)C 62a_100000076355_100009879195 [0,1,0,0,0,0|3,0,0]=4 3598 B12R0.184 COC(C)SCOCCOC(=O)C 62a_100009879195_100000076355 [0,1,0,0,0,0|3,0,0]=4 3599 B12R0.184 CO[C@H](C)CNCCCOC(=S)C 2230a_100020591295_200135323944 [0,1,0,0,0,0|2,1,0]=4 3600 B12R0.184 CO[C@H](C)CNCCCSC(=O)C 2230a_100020591295_100000038929 [0,1,0,0,0,0|2,1,0]=4 3601 B12R0.233 C#CCCCC(=O)CCOC(=O)C 1458a_100000690238_100009814007 [0,1,0,0,0,0|0,0,3]=4 3602 B12R0.233 C=C(C)CCNC(C)CCCCC 2230a_100000211957_100000730704 [0,1,0,0,0,0|3,0,0]=4 3603 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,1,0,0,0,0|3,0,0]=4 3604 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,1,0,0,0,0|3,0,0]=4 3605 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,1,0,0,0,0|3,0,0]=4 3606 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_100000730704_200011218191 [0,1,0,0,0,0|3,0,0]=4 3607 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_200011218191_100000730704 [0,1,0,0,0,0|3,0,0]=4 3608 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,1,0,0,0,0|0,0,3]=4 3609 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,1,0,0,0,0|2,0,1]=4 3610 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,1,0,0,0,0|3,0,0]=4 3611 B12R0.233 CC(=O)NCCC(=O)CCCCF 1458a_100000183196_100000729493 [0,1,0,0,0,0|2,0,1]=4 3612 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000183196_100000210776 [0,1,0,0,0,0|2,0,1]=4 3613 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000695505_100000189650 [0,1,0,0,0,0|2,0,1]=4 3614 B12R0.233 CC(=O)NCCN(C)CCCCO 2230a_100000717598_100000189650 [0,1,0,0,0,0|3,0,0]=4 3615 B12R0.233 CC(=O)NCCN(C)CCCCO 269982a_100000717598_100000189650 [0,1,0,0,0,0|3,0,0]=4 3616 B12R0.233 CC(=O)OCCC(=O)CCCC#N 1458a_100000075515_100009814007 [0,1,0,0,0,0|1,0,2]=4 3617 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,1,0,0,0,0|1,0,1]=3 3618 B12R0.233 CC(=O)OCCC(=O)COCCO 1458a_100000708028_100009814007 [0,1,0,0,0,0|2,0,1]=4 3619 B12R0.233 CC(=O)OCCN(C)CCCCO 269982a_100000717598_100009814007 [0,1,0,0,0,0|2,0,0]=3 3620 B12R0.233 CC(=O)SCCC(=O)CCCCF 1458a_100000048949_100000729493 [0,1,0,0,0,0|1,1,1]=4 3621 B12R0.233 CC(=O)SCCC(=O)CCCCO 1458a_100000048949_100000210776 [0,1,0,0,0,0|1,1,1]=4 3622 B12R0.233 CC/C=C/CC(=O)CCOC(=O)C 1458a_100016274230_100009814007 [0,1,0,0,0,0|0,0,3]=4 3623 B12R0.233 CCC#CCC(C)OCOC(=O)C 34a_200000035118_100009813279 [0,1,0,0,0,0|1,0,2]=4 3624 B12R0.233 CCCC#CC(=O)CCOC(=O)C 1458a_200011218047_100009814007 [0,1,0,0,0,0|0,0,3]=4 3625 B12R0.233 CCCC=CC(=O)CCOC(=O)C 1458a_100000212230_100009814007 [0,1,0,0,0,0|0,0,3]=4 3626 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,1,0,0,0,0|2,0,1]=4 3627 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,1,0,0,0,0|1,0,1]=3 3628 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,1,0,0,0,0|2,0,1]=4 3629 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,1,0,0,0,0|1,0,1]=3 3630 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,1,0,0,0,0|1,0,1]=3 3631 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,1,0,0,0,0|2,0,1]=4 3632 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,1,0,0,0,0|2,0,1]=4 3633 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,1,0,0,0,0|0,0,1]=2 3634 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,1,0,0,0,0|1,0,1]=3 3635 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,1,0,0,0,0|1,0,2]=4 3636 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,1,0,0,0,0|0,1,1]=3 3637 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,1,0,0,0,0|2,0,1]=4 3638 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [0,1,0,0,0,0|3,0,0]=4 3639 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [0,1,0,0,0,0|3,0,0]=4 3640 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [0,1,0,0,0,0|3,0,0]=4 3641 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,1,0,0,0,0|3,0,0]=4 3642 B12R0.233 CCCCCC(C)NCOC(C)C 2230a_100000211957_100000709892 [0,1,0,0,0,0|2,0,1]=4 3643 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,1,0,0,0,0|3,0,0]=4 3644 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,1,0,0,0,0|3,0,0]=4 3645 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,1,0,0,0,0|3,0,0]=4 3646 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,1,0,0,0,0|2,0,0]=3 3647 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,1,0,0,0,0|2,0,0]=3 3648 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,1,0,0,0,0|2,0,0]=3 3649 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,1,0,0,0,0|3,0,0]=4 3650 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,1,0,0,0,0|3,0,0]=4 3651 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,1,0,0,0,0|3,0,0]=4 3652 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,1,0,0,0,0|3,0,0]=4 3653 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,1,0,0,0,0|1,0,0]=2 3654 B12R0.233 CCCCCC(C)OCOC(C)C 34a_100011215632_100000709892 [0,1,0,0,0,0|2,0,1]=4 3655 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [0,1,0,0,0,0|3,0,0]=4 3656 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [0,1,0,0,0,0|3,0,0]=4 3657 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,1,0,0,0,0|2,0,0]=3 3658 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,1,0,0,0,0|2,0,0]=3 3659 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,1,0,0,0,0|3,0,0]=4 3660 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,1,0,0,0,0|3,0,0]=4 3661 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,1,0,0,0,0|1,0,0]=2 3662 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,1,0,0,0,0|1,0,0]=2 3663 B12R0.233 CCCCCC(C)SCOC(C)C 62a_100000709892_200011218191 [0,1,0,0,0,0|2,0,1]=4 3664 B12R0.233 CCCCCC(C)SCOC(C)C 62a_200011218191_100000709892 [0,1,0,0,0,0|2,0,1]=4 3665 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [0,1,0,0,0,0|3,0,0]=4 3666 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [0,1,0,0,0,0|3,0,0]=4 3667 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,1,0,0,0,0|2,0,0]=3 3668 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,1,0,0,0,0|3,0,0]=4 3669 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,1,0,0,0,0|3,0,0]=4 3670 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,1,0,0,0,0|2,0,0]=3 3671 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,1,0,0,0,0|2,0,0]=3 3672 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,1,0,0,0,0|3,0,0]=4 3673 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,1,0,0,0,0|3,0,0]=4 3674 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,1,0,0,0,0|1,0,0]=2 3675 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,1,0,0,0,0|2,0,0]=3 3676 B12R0.233 CCCCCN(C)CCOC(C)C 2230a_100000223495_100000211751 [0,1,0,0,0,0|2,0,1]=4 3677 B12R0.233 CCCCCN(C)CCOC(C)C 269982a_100000223495_100000211751 [0,1,0,0,0,0|2,0,1]=4 3678 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 3679 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 3680 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 3681 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,1,0,0,0,0|2,0,1]=4 3682 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,1,0,0,0,0|1,1,1]=4 3683 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,1,0,0,0,0|1,1,1]=4 3684 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,1,0,0,0,0|3,0,0]=4 3685 B12R0.233 CCCCNC(C)CCOC(C)C 270004a_100000102301_200011219172 [0,1,0,0,0,0|2,0,1]=4 3686 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,1,0,0,0,0|3,0,0]=4 3687 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,1,0,0,0,0|3,0,0]=4 3688 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,1,0,0,0,0|3,0,0]=4 3689 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,1,0,0,0,0|3,0,0]=4 3690 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,1,0,0,0,0|2,0,1]=4 3691 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,1,0,0,0,0|2,0,1]=4 3692 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,1,0,0,0,0|1,0,1]=3 3693 B12R0.233 CCCOCC(=O)CCOC(=O)N 1458a_100000745993_200011214921 [0,1,0,0,0,0|2,0,1]=4 3694 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,1,0,0,0,0|2,0,1]=4 3695 B12R0.233 CCCSCC(=O)CCNC(=O)C 1458a_100000217233_100000189650 [0,1,0,0,0,0|2,0,1]=4 3696 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,1,0,0,0,0|1,0,1]=3 3697 B12R0.233 CCCSCC(=O)CCOC(=O)N 1458a_100000217233_200011214921 [0,1,0,0,0,0|2,0,1]=4 3698 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,1,0,0,0,0|3,0,0]=4 3699 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,1,0,0,0,0|3,0,0]=4 3700 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,1,0,0,0,0|3,0,0]=4 3701 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,1,0,0,0,0|2,0,1]=4 3702 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215890 [0,1,0,0,0,0|2,0,1]=4 3703 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000749530_100000189650 [0,1,0,0,0,0|2,0,1]=4 3704 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,1,0,0,0,0|1,0,1]=3 3705 B12R0.233 CCOCCC(=O)CCOC(=O)N 1458a_100000749530_200011214921 [0,1,0,0,0,0|2,0,1]=4 3706 B12R0.233 CCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215890 [0,1,0,0,0,0|1,1,1]=4 3707 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,1,0,0,0,0|3,0,0]=4 3708 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,1,0,0,0,0|3,0,0]=4 3709 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,1,0,0,0,0|3,0,0]=4 3710 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,1,0,0,0,0|2,0,1]=4 3711 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000183196_100000757381 [0,1,0,0,0,0|2,0,1]=4 3712 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000230768_100000189650 [0,1,0,0,0,0|2,0,1]=4 3713 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,1,0,0,0,0|1,0,1]=3 3714 B12R0.233 CCSCCC(=O)CCOC(=O)N 1458a_100000230768_200011214921 [0,1,0,0,0,0|2,0,1]=4 3715 B12R0.233 CCSCCC(=O)CCSC(=O)C 1458a_100000048949_100000757381 [0,1,0,0,0,0|1,1,1]=4 3716 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,1,0,0,0,0|3,0,0]=4 3717 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,1,0,0,0,0|3,0,0]=4 3718 B12R0.233 CN(CCCCO)CCOC(=O)N 269982a_100000717598_200011214921 [0,1,0,0,0,0|3,0,0]=4 3719 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,1,0,0,0,0|2,0,1]=4 3720 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000183196_100000740836 [0,1,0,0,0,0|2,0,1]=4 3721 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000741012_100000189650 [0,1,0,0,0,0|2,0,1]=4 3722 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,1,0,0,0,0|1,0,1]=3 3723 B12R0.233 COCCCC(=O)CCOC(=O)N 1458a_100000741012_200011214921 [0,1,0,0,0,0|2,0,1]=4 3724 B12R0.233 COCCCC(=O)CCSC(=O)C 1458a_100000048949_100000740836 [0,1,0,0,0,0|1,1,1]=4 3725 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,1,0,0,0,0|3,0,0]=4 3726 B12R0.233 COCCCC(C)OCOC(=O)C 34a_200011539412_100009813279 [0,1,0,0,0,0|2,0,0]=3 3727 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,1,0,0,0,0|3,0,0]=4 3728 B12R0.233 COCCCN(C)CCNC(=O)C 2230a_100000224831_100000189650 [0,1,0,0,0,0|3,0,0]=4 3729 B12R0.233 COCCCN(C)CCNC(=O)C 269982a_100000224831_100000189650 [0,1,0,0,0,0|3,0,0]=4 3730 B12R0.233 COCCCN(C)CCOC(=O)C 269982a_100000224831_100009814007 [0,1,0,0,0,0|2,0,0]=3 3731 B12R0.233 COCCCN(C)CCOC(=O)N 269982a_100000224831_200011214921 [0,1,0,0,0,0|3,0,0]=4 3732 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,1,0,0,0,0|2,0,1]=4 3733 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [0,1,0,0,0,0|2,0,1]=4 3734 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,1,0,0,0,0|1,0,1]=3 3735 B12R0.233 CSCCCC(=O)CCOC(=O)N 1458a_100000173376_200011214921 [0,1,0,0,0,0|2,0,1]=4 3736 B12R0.233 NC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011214921 [0,1,0,0,0,0|2,0,1]=4 3737 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|1,0,1]=3 3738 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|1,0,1]=3 3739 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000054614_100000210206 [0,1,0,0,0,0|1,0,2]=4 3740 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000212225_100153394163 [0,1,0,0,0,0|1,0,2]=4 3741 B12R0.234 C#CCCCCCCCOC(C)C 7a_100000054614_100000210206 [0,1,0,0,0,0|1,0,2]=4 3742 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100000210245_100012276617 [0,1,0,0,0,0|1,0,2]=4 3743 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100011217361_100000748629 [0,1,0,0,0,0|1,0,2]=4 3744 B12R0.234 C#CCCCCCCOCC(=C)C 7a_100011217361_100000748629 [0,1,0,0,0,0|1,0,2]=4 3745 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,1,0,0,0,0|0,0,2]=3 3746 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 3747 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 3748 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,1,0,0,0,0|1,0,2]=4 3749 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 3750 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 3751 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,1,0,0,0,0|1,0,2]=4 3752 B12R0.234 C#CCCCCCOCOC(=O)C 34a_100000766912_100009813279 [0,1,0,0,0,0|0,0,2]=3 3753 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,1,0,0,0,0|1,0,2]=4 3754 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,1,0,0,0,0|1,0,2]=4 3755 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100000076356_100012094781 [0,1,0,0,0,0|0,0,2]=3 3756 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100012094781_100000076356 [0,1,0,0,0,0|0,0,2]=3 3757 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,1,0,0,0,0|1,0,2]=4 3758 B12R0.234 C#CCCCCNCCNC(=O)C 2230a_100000209853_100010269958 [0,1,0,0,0,0|1,0,2]=4 3759 B12R0.234 C#CCCCCNCCNC(=O)C 2230a_100000706060_100000189650 [0,1,0,0,0,0|1,0,2]=4 3760 B12R0.234 C#CCCCCNCCOC(=O)C 34a_100000706060_100009814007 [0,1,0,0,0,0|0,0,2]=3 3761 B12R0.234 C#CCCCCNCCOC(=O)N 34a_100000706060_200011214921 [0,1,0,0,0,0|1,0,2]=4 3762 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 3763 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,1,0,0,0,0|1,0,2]=4 3764 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 3765 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,1,0,0,0,0|1,0,2]=4 3766 B12R0.234 C#CCCCCOCCNC(=O)C 34a_100000158858_100010269958 [0,1,0,0,0,0|1,0,2]=4 3767 B12R0.234 C#CCCCCOCCNC(=O)C 7a_100000766709_100000189650 [0,1,0,0,0,0|1,0,2]=4 3768 B12R0.234 C#CCCCCOCCOC(=O)C 34a_100000766709_100009814007 [0,1,0,0,0,0|0,0,2]=3 3769 B12R0.234 C#CCCCCOCCOC(=O)C 7a_100000766709_100009814007 [0,1,0,0,0,0|0,0,2]=3 3770 B12R0.234 C#CCCCCOCCOC(=O)N 34a_100000766709_200011214921 [0,1,0,0,0,0|1,0,2]=4 3771 B12R0.234 C#CCCCCOCCOC(=O)N 7a_100000766696_100010269958 [0,1,0,0,0,0|1,0,2]=4 3772 B12R0.234 C#CCCCCOCCOC(=O)N 7a_100000766709_200011214921 [0,1,0,0,0,0|1,0,2]=4 3773 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,1,0,0,0,0|1,0,2]=4 3774 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,1,0,0,0,0|1,0,2]=4 3775 B12R0.234 C#CCCCCSCCNC(=O)C 62a_100000189650_100010269958 [0,1,0,0,0,0|1,0,2]=4 3776 B12R0.234 C#CCCCCSCCNC(=O)C 62a_100010269958_100000189650 [0,1,0,0,0,0|1,0,2]=4 3777 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100009814007_100010269958 [0,1,0,0,0,0|0,0,2]=3 3778 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100010269958_100009814007 [0,1,0,0,0,0|0,0,2]=3 3779 B12R0.234 C#CCCCCSCCOC(=O)N 62a_100010269958_200011214921 [0,1,0,0,0,0|1,0,2]=4 3780 B12R0.234 C#CCCCCSCCOC(=O)N 62a_200011214921_100010269958 [0,1,0,0,0,0|1,0,2]=4 3781 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,1,0,0,0,0|1,0,2]=4 3782 B12R0.234 C#CCCCNCCCNC(=O)C 34a_100000736810_100000695029 [0,1,0,0,0,0|1,0,2]=4 3783 B12R0.234 C#CCCCNCCCOC(=O)C 34a_100000718082_100000042594 [0,1,0,0,0,0|0,0,2]=3 3784 B12R0.234 C#CCCCNCCCOC(=S)C 34a_100000718082_200135323944 [0,1,0,0,0,0|0,1,2]=4 3785 B12R0.234 C#CCCCNCCCSC(=O)C 34a_100000718082_100000038929 [0,1,0,0,0,0|0,1,2]=4 3786 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,1,0,0,0,0|1,0,2]=4 3787 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,1,0,0,0,0|1,0,2]=4 3788 B12R0.234 C#CCCCOCCCNC(=O)C 34a_100000752032_100000695029 [0,1,0,0,0,0|1,0,2]=4 3789 B12R0.234 C#CCCCOCCCOC(=O)C 34a_100000215630_100000042594 [0,1,0,0,0,0|0,0,2]=3 3790 B12R0.234 C#CCCCOCCCOC(=O)C 7a_100000215630_100000042594 [0,1,0,0,0,0|0,0,2]=3 3791 B12R0.234 C#CCCCOCCCOC(=S)C 34a_100000215630_200135323944 [0,1,0,0,0,0|0,1,2]=4 3792 B12R0.234 C#CCCCOCCCOC(=S)C 7a_100000215630_200135323944 [0,1,0,0,0,0|0,1,2]=4 3793 B12R0.234 C#CCCCOCCCSC(=O)C 34a_100000215630_100000038929 [0,1,0,0,0,0|0,1,2]=4 3794 B12R0.234 C#CCCCOCCCSC(=O)C 7a_100000215630_100000038929 [0,1,0,0,0,0|0,1,2]=4 3795 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,1,0,0,0,0|1,0,2]=4 3796 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,1,0,0,0,0|1,0,2]=4 3797 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100000042594_100011215417 [0,1,0,0,0,0|0,0,2]=3 3798 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100011215417_100000042594 [0,1,0,0,0,0|0,0,2]=3 3799 B12R0.234 C#CCCCSCCCOC(=S)C 62a_100011215417_200135323944 [0,1,0,0,0,0|0,1,2]=4 3800 B12R0.234 C#CCCCSCCCOC(=S)C 62a_200135323944_100011215417 [0,1,0,0,0,0|0,1,2]=4 3801 B12R0.234 C#CCCCSCCCSC(=O)C 62a_100000038929_100011215417 [0,1,0,0,0,0|0,1,2]=4 3802 B12R0.234 C#CCCCSCCCSC(=O)C 62a_100011215417_100000038929 [0,1,0,0,0,0|0,1,2]=4 3803 B12R0.234 C#CCCNCCCCNC(=O)C 2230a_200011368371_100000688953 [0,1,0,0,0,0|1,0,2]=4 3804 B12R0.234 C#CCCNCCCCNC(=O)C 34a_200011368371_100000688953 [0,1,0,0,0,0|1,0,2]=4 3805 B12R0.234 C#CCCNCCCCOC(=O)C 34a_100000755551_100000033659 [0,1,0,0,0,0|0,0,2]=3 3806 B12R0.234 C#CCCNCCCCSC(=O)C 34a_100000755551_200010402107 [0,1,0,0,0,0|0,1,2]=4 3807 B12R0.234 C#CCCNCOCCOC(=O)C 34a_100000755551_100000076355 [0,1,0,0,0,0|1,0,2]=4 3808 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100000073216_100000688953 [0,1,0,0,0,0|0,0,2]=3 3809 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100011215631_100000033659 [0,1,0,0,0,0|0,0,2]=3 3810 B12R0.234 C#CCCOCCCCOC(=O)C 7a_100000073216_100000688953 [0,1,0,0,0,0|0,0,2]=3 3811 B12R0.234 C#CCCOCCCCSC(=O)C 34a_100011215631_200010402107 [0,1,0,0,0,0|0,1,2]=4 3812 B12R0.234 C#CCCOCOCCOC(=O)C 34a_100011215631_100000076355 [0,1,0,0,0,0|1,0,2]=4 3813 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000033659_100000688953 [0,1,0,0,0,0|0,0,2]=3 3814 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000688953_100000033659 [0,1,0,0,0,0|0,0,2]=3 3815 B12R0.234 C#CCCSCCCCSC(=O)C 62a_100000688953_200010402107 [0,1,0,0,0,0|0,1,2]=4 3816 B12R0.234 C#CCCSCCCCSC(=O)C 62a_200010402107_100000688953 [0,1,0,0,0,0|0,1,2]=4 3817 B12R0.234 C#CCCSCOCCOC(=O)C 62a_100000076355_100000688953 [0,1,0,0,0,0|1,0,2]=4 3818 B12R0.234 C#CCCSCOCCOC(=O)C 62a_100000688953_100000076355 [0,1,0,0,0,0|1,0,2]=4 3819 B12R0.234 C#CCNCCCCCNC(=O)C 2230a_200012022750_100000038162 [0,1,0,0,0,0|1,0,2]=4 3820 B12R0.234 C#CCNCCCCCNC(=O)C 34a_200012022750_100000184674 [0,1,0,0,0,0|1,0,2]=4 3821 B12R0.234 C#CCNCCCCCOC(=O)C 34a_100000212058_100000033007 [0,1,0,0,0,0|0,0,2]=3 3822 B12R0.234 C#CCNCCOCCOC(=O)C 34a_100000212058_200000083610 [0,1,0,0,0,0|1,0,2]=4 3823 B12R0.234 C#CCOCCCCCOC(=O)C 34a_100000210247_100000033007 [0,1,0,0,0,0|0,0,2]=3 3824 B12R0.234 C#CCOCCNCCOC(=O)C 34a_100000700922_100009814007 [0,1,0,0,0,0|1,0,2]=4 3825 B12R0.234 C#CCOCCOCCOC(=O)C 34a_100000054580_100009814007 [0,1,0,0,0,0|1,0,2]=4 3826 B12R0.234 C#CCOCCOCCOC(=O)C 34a_100000210247_200000083610 [0,1,0,0,0,0|1,0,2]=4 3827 B12R0.234 C#CCOCCOCCOC(=O)C 7a_100000054580_100009814007 [0,1,0,0,0,0|1,0,2]=4 3828 B12R0.234 C#CCOCCSCCOC(=O)C 62a_100009814007_100010402529 [0,1,0,0,0,0|1,0,2]=4 3829 B12R0.234 C#CCOCCSCCOC(=O)C 62a_100010402529_100009814007 [0,1,0,0,0,0|1,0,2]=4 3830 B12R0.234 C#CCSCCCCCOC(=O)C 62a_100000038162_100000033007 [0,1,0,0,0,0|0,0,2]=3 3831 B12R0.234 C#CCSCCOCCOC(=O)C 62a_100000038162_200000083610 [0,1,0,0,0,0|1,0,2]=4 3832 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,1,0,0,0,0|1,0,2]=4 3833 B12R0.234 C/C=C/CCOCCCOC(=O)C 34a_100016278192_100000042594 [0,1,0,0,0,0|0,0,2]=3 3834 B12R0.234 C/C=C/CCOCCCOC(=S)C 34a_100016278192_200135323944 [0,1,0,0,0,0|0,1,2]=4 3835 B12R0.234 C/C=C/CCOCCCSC(=O)C 34a_100016278192_100000038929 [0,1,0,0,0,0|0,1,2]=4 3836 B12R0.234 C/C=C/CNCCCCNC(=O)C 34a_200011368371_100102629194 [0,1,0,0,0,0|1,0,2]=4 3837 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100000073216_100102629194 [0,1,0,0,0,0|0,0,2]=3 3838 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100016270725_100000033659 [0,1,0,0,0,0|0,0,2]=3 3839 B12R0.234 C/C=C/COCCCCOC(=O)C 7a_100000073216_100102629194 [0,1,0,0,0,0|0,0,2]=3 3840 B12R0.234 C/C=C/COCCCCSC(=O)C 34a_100016270725_200010402107 [0,1,0,0,0,0|0,1,2]=4 3841 B12R0.234 C/C=C/COCOCCOC(=O)C 34a_100016270725_100000076355 [0,1,0,0,0,0|1,0,2]=4 3842 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100000033659_100102629194 [0,1,0,0,0,0|0,0,2]=3 3843 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100102629194_100000033659 [0,1,0,0,0,0|0,0,2]=3 3844 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_100102629194_200010402107 [0,1,0,0,0,0|0,1,2]=4 3845 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_200010402107_100102629194 [0,1,0,0,0,0|0,1,2]=4 3846 B12R0.234 C/C=C/CSCOCCOC(=O)C 62a_100000076355_100102629194 [0,1,0,0,0,0|1,0,2]=4 3847 B12R0.234 C/C=C/CSCOCCOC(=O)C 62a_100102629194_100000076355 [0,1,0,0,0,0|1,0,2]=4 3848 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|2,0,1]=4 3849 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|2,0,0]=3 3850 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3851 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3852 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 3853 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 3854 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 3855 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 3856 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,1,0,0,0,0|3,0,0]=4 3857 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|3,0,0]=4 3858 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|3,0,0]=4 3859 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 3860 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|2,0,0]=3 3861 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 3862 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 3863 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 3864 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|3,0,0]=4 3865 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|3,0,0]=4 3866 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|3,0,0]=4 3867 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3868 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|3,0,0]=4 3869 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 3870 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 3871 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,1,0,0,0,0|3,0,0]=4 3872 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 3873 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 3874 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 3875 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|2,0,0]=3 3876 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|2,0,0]=3 3877 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|3,0,0]=4 3878 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|3,0,0]=4 3879 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|3,0,0]=4 3880 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 3881 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,1,0,0,0,0|3,0,0]=4 3882 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,1,0,0,0,0|3,0,0]=4 3883 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 3884 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 3885 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 3886 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 3887 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 3888 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 3889 B12R0.234 C=C(C)COC/C=C/CCCCC 34a_100016258190_100000748629 [0,1,0,0,0,0|1,0,2]=4 3890 B12R0.234 C=C(C)COC/C=C/CCCCC 7a_100016258190_100000748629 [0,1,0,0,0,0|1,0,2]=4 3891 B12R0.234 C=C(C)COCC#CCCCCC 34a_100000210245_100009816472 [0,1,0,0,0,0|1,0,2]=4 3892 B12R0.234 C=C(C)COCC#CCCCCC 34a_200000033628_100000748629 [0,1,0,0,0,0|1,0,2]=4 3893 B12R0.234 C=C(C)COCC#CCCCCC 7a_200000033628_100000748629 [0,1,0,0,0,0|1,0,2]=4 3894 B12R0.234 C=C(C)COCC/C=C\CCCC 34a_200016286491_100000748629 [0,1,0,0,0,0|1,0,2]=4 3895 B12R0.234 C=C(C)COCC/C=C\CCCC 7a_200016286491_100000748629 [0,1,0,0,0,0|1,0,2]=4 3896 B12R0.234 C=C(C)COCCC#CCCCC 34a_100000037610_100000748629 [0,1,0,0,0,0|1,0,2]=4 3897 B12R0.234 C=C(C)COCCC#CCCCC 7a_100000037610_100000748629 [0,1,0,0,0,0|1,0,2]=4 3898 B12R0.234 C=C(C)COCCCC/C=C\CC 34a_100016287862_100000748629 [0,1,0,0,0,0|1,0,2]=4 3899 B12R0.234 C=C(C)COCCCC/C=C\CC 7a_100016287862_100000748629 [0,1,0,0,0,0|1,0,2]=4 3900 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|2,0,0]=3 3901 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|2,0,0]=3 3902 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|1,0,0]=2 3903 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|1,0,0]=2 3904 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|1,0,0]=2 3905 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|2,0,0]=3 3906 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|2,0,0]=3 3907 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,1,0,0,0,0|2,0,0]=3 3908 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,1,0,0,0,0|2,0,0]=3 3909 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,1,0,0,0,0|2,0,0]=3 3910 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,1,0,0,0,0|2,0,0]=3 3911 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,1,0,0,0,0|2,0,0]=3 3912 B12R0.234 C=C(C)COCCCOCCCN 34a_100011310245_100000748629 [0,1,0,0,0,0|3,0,0]=4 3913 B12R0.234 C=C(C)COCCCOCCOC 34a_100000210245_100011216529 [0,1,0,0,0,0|3,0,0]=4 3914 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,1,0,0,0,0|2,0,0]=3 3915 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,1,0,0,0,0|2,0,0]=3 3916 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,1,0,0,0,0|2,0,0]=3 3917 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210240_100000748629 [0,1,0,0,0,0|3,0,0]=4 3918 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210245_100011211534 [0,1,0,0,0,0|3,0,0]=4 3919 B12R0.234 C=C(C)COCCOCCOCC 7a_100000210240_100000748629 [0,1,0,0,0,0|3,0,0]=4 3920 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|1,1,0]=3 3921 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|1,1,0]=3 3922 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|2,1,0]=4 3923 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|2,1,0]=4 3924 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,1,0,0,0,0|2,1,0]=4 3925 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,1,0,0,0,0|2,1,0]=4 3926 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|2,0,1]=4 3927 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|2,0,1]=4 3928 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,1,0,0,0,0|2,0,1]=4 3929 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,1,0,0,0,0|2,0,1]=4 3930 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|1,0,1]=3 3931 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|1,0,1]=3 3932 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|1,0,1]=3 3933 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,1,0,0,0,0|2,0,1]=4 3934 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|2,0,1]=4 3935 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,1,0,0,0,0|2,0,1]=4 3936 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,1,0,0,0,0|2,0,1]=4 3937 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,1,0,0,0,0|2,0,1]=4 3938 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,1,0,0,0,0|2,0,1]=4 3939 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,1,0,0,0,0|2,0,1]=4 3940 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,1,0,0,0,0|2,0,1]=4 3941 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,1,0,0,0,0|2,0,1]=4 3942 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,1,0,0,0,0|2,0,1]=4 3943 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|1,1,1]=4 3944 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|1,1,1]=4 3945 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|1,0,1]=3 3946 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|1,0,1]=3 3947 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|1,0,1]=3 3948 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,1,0,0,0,0|1,0,2]=4 3949 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,1,0,0,0,0|1,0,2]=4 3950 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,1,0,0,0,0|1,0,2]=4 3951 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,1,0,0,0,0|1,0,2]=4 3952 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,1,0,0,0,0|1,0,2]=4 3953 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,1,0,0,0,0|1,0,2]=4 3954 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|0,0,2]=3 3955 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 3956 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 3957 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|1,0,2]=4 3958 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 3959 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 3960 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|1,0,2]=4 3961 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [0,1,0,0,0,0|0,0,2]=3 3962 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|1,0,2]=4 3963 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|1,0,2]=4 3964 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [0,1,0,0,0,0|0,0,2]=3 3965 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [0,1,0,0,0,0|0,0,2]=3 3966 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|1,0,2]=4 3967 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [0,1,0,0,0,0|1,0,2]=4 3968 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [0,1,0,0,0,0|1,0,2]=4 3969 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [0,1,0,0,0,0|0,0,2]=3 3970 B12R0.234 C=CCCCCNCCOC(=O)N 34a_100000703577_200011214921 [0,1,0,0,0,0|1,0,2]=4 3971 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 3972 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|1,0,2]=4 3973 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 3974 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|1,0,2]=4 3975 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [0,1,0,0,0,0|1,0,2]=4 3976 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [0,1,0,0,0,0|1,0,2]=4 3977 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [0,1,0,0,0,0|0,0,2]=3 3978 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [0,1,0,0,0,0|0,0,2]=3 3979 B12R0.234 C=CCCCCOCCOC(=O)N 34a_100000766645_200011214921 [0,1,0,0,0,0|1,0,2]=4 3980 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766645_200011214921 [0,1,0,0,0,0|1,0,2]=4 3981 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766696_100011215482 [0,1,0,0,0,0|1,0,2]=4 3982 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|1,0,2]=4 3983 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|1,0,2]=4 3984 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [0,1,0,0,0,0|1,0,2]=4 3985 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [0,1,0,0,0,0|1,0,2]=4 3986 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [0,1,0,0,0,0|0,0,2]=3 3987 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [0,1,0,0,0,0|0,0,2]=3 3988 B12R0.234 C=CCCCCSCCOC(=O)N 62a_100011215482_200011214921 [0,1,0,0,0,0|1,0,2]=4 3989 B12R0.234 C=CCCCCSCCOC(=O)N 62a_200011214921_100011215482 [0,1,0,0,0,0|1,0,2]=4 3990 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|1,0,2]=4 3991 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [0,1,0,0,0,0|1,0,2]=4 3992 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [0,1,0,0,0,0|0,0,2]=3 3993 B12R0.234 C=CCCCNCCCOC(=S)C 2230a_100000700776_200135323944 [0,1,0,0,0,0|0,1,2]=4 3994 B12R0.234 C=CCCCNCCCOC(=S)C 34a_100000700776_200135323944 [0,1,0,0,0,0|0,1,2]=4 3995 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [0,1,0,0,0,0|0,1,2]=4 3996 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [0,1,0,0,0,0|0,1,2]=4 3997 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|1,0,2]=4 3998 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|1,0,2]=4 3999 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [0,1,0,0,0,0|1,0,2]=4 4000 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [0,1,0,0,0,0|0,0,2]=3 4001 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [0,1,0,0,0,0|0,0,2]=3 4002 B12R0.234 C=CCCCOCCCOC(=S)C 34a_100000758997_200135323944 [0,1,0,0,0,0|0,1,2]=4 4003 B12R0.234 C=CCCCOCCCOC(=S)C 7a_100000758997_200135323944 [0,1,0,0,0,0|0,1,2]=4 4004 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [0,1,0,0,0,0|0,1,2]=4 4005 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [0,1,0,0,0,0|0,1,2]=4 4006 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|1,0,2]=4 4007 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|1,0,2]=4 4008 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [0,1,0,0,0,0|0,0,2]=3 4009 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [0,1,0,0,0,0|0,0,2]=3 4010 B12R0.234 C=CCCCSCCCOC(=S)C 62a_100011713584_200135323944 [0,1,0,0,0,0|0,1,2]=4 4011 B12R0.234 C=CCCCSCCCOC(=S)C 62a_200135323944_100000757094 [0,1,0,0,0,0|0,1,2]=4 4012 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [0,1,0,0,0,0|0,1,2]=4 4013 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [0,1,0,0,0,0|0,1,2]=4 4014 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [0,1,0,0,0,0|1,0,2]=4 4015 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [0,1,0,0,0,0|1,0,2]=4 4016 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [0,1,0,0,0,0|0,1,2]=4 4017 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [0,1,0,0,0,0|0,0,2]=3 4018 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [0,1,0,0,0,0|0,0,2]=3 4019 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [0,1,0,0,0,0|0,0,2]=3 4020 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [0,1,0,0,0,0|0,1,2]=4 4021 B12R0.234 C=CCCOCOCCOC(=O)C 34a_100011205117_100000076355 [0,1,0,0,0,0|1,0,2]=4 4022 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [0,1,0,0,0,0|0,0,2]=3 4023 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [0,1,0,0,0,0|0,0,2]=3 4024 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [0,1,0,0,0,0|0,1,2]=4 4025 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [0,1,0,0,0,0|0,1,2]=4 4026 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000076355_100000754431 [0,1,0,0,0,0|1,0,2]=4 4027 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000754431_100000076355 [0,1,0,0,0,0|1,0,2]=4 4028 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [0,1,0,0,0,0|1,0,2]=4 4029 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [0,1,0,0,0,0|1,0,2]=4 4030 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [0,1,0,0,0,0|0,0,2]=3 4031 B12R0.234 C=CCNCCOCCOC(=O)C 2230a_100020586998_200000083610 [0,1,0,0,0,0|1,0,2]=4 4032 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [0,1,0,0,0,0|0,0,2]=3 4033 B12R0.234 C=CCOCCOCCOC(=O)C 34a_100000037705_100009814007 [0,1,0,0,0,0|1,0,2]=4 4034 B12R0.234 C=CCOCCOCCOC(=O)C 34a_200000210373_200000083610 [0,1,0,0,0,0|1,0,2]=4 4035 B12R0.234 C=CCOCCOCCOC(=O)C 7a_100000037705_100009814007 [0,1,0,0,0,0|1,0,2]=4 4036 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [0,1,0,0,0,0|0,0,2]=3 4037 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [0,1,0,0,0,0|0,0,2]=3 4038 B12R0.234 C=CCSCCOCCOC(=O)C 62a_100000210623_200000083610 [0,1,0,0,0,0|1,0,2]=4 4039 B12R0.234 C=CCSCCOCCOC(=O)C 62a_200000083610_100000210623 [0,1,0,0,0,0|1,0,2]=4 4040 B12R0.234 C=COCCCCOCOC(=O)C 34a_100000031558_100009813279 [0,1,0,0,0,0|1,0,2]=4 4041 B12R0.234 C=COCCCNCCOC(=O)C 34a_100000210767_100009814007 [0,1,0,0,0,0|1,0,2]=4 4042 B12R0.234 C=COCCOCCCOC(=O)C 34a_100000033082_100000042594 [0,1,0,0,0,0|1,0,2]=4 4043 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000039644_100000042594 [0,1,0,0,0,0|1,0,2]=4 4044 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000042594_100000039644 [0,1,0,0,0,0|1,0,2]=4 4045 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,0,0,0,0|1,0,1]=3 4046 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,0,0,0,0|1,0,1]=3 4047 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,1,0,0,0,0|1,0,2]=4 4048 B12R0.234 CC#CCCOCCCOC(=O)C 34a_100000750427_100000042594 [0,1,0,0,0,0|0,0,2]=3 4049 B12R0.234 CC#CCCOCCCOC(=S)C 34a_100000750427_200135323944 [0,1,0,0,0,0|0,1,2]=4 4050 B12R0.234 CC#CCCOCCCSC(=O)C 34a_100000750427_100000038929 [0,1,0,0,0,0|0,1,2]=4 4051 B12R0.234 CC#CCNCCCCNC(=O)C 2230a_200011368371_100000748600 [0,1,0,0,0,0|1,0,2]=4 4052 B12R0.234 CC#CCNCCCCNC(=O)C 34a_200011368371_100000748600 [0,1,0,0,0,0|1,0,2]=4 4053 B12R0.234 CC#CCNCCCCOC(=O)C 34a_100000685387_100000033659 [0,1,0,0,0,0|0,0,2]=3 4054 B12R0.234 CC#CCNCCCCSC(=O)C 2230a_100000685387_200010402107 [0,1,0,0,0,0|0,1,2]=4 4055 B12R0.234 CC#CCNCCCCSC(=O)C 34a_100000685387_200010402107 [0,1,0,0,0,0|0,1,2]=4 4056 B12R0.234 CC#CCNCOCCOC(=O)C 34a_100000685387_100000076355 [0,1,0,0,0,0|1,0,2]=4 4057 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000073216_100000748600 [0,1,0,0,0,0|0,0,2]=3 4058 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000761923_100000033659 [0,1,0,0,0,0|0,0,2]=3 4059 B12R0.234 CC#CCOCCCCOC(=O)C 7a_100000073216_100000748600 [0,1,0,0,0,0|0,0,2]=3 4060 B12R0.234 CC#CCOCCCCSC(=O)C 34a_100000761923_200010402107 [0,1,0,0,0,0|0,1,2]=4 4061 B12R0.234 CC#CCOCOCCOC(=O)C 34a_100000761923_100000076355 [0,1,0,0,0,0|1,0,2]=4 4062 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000033659_100000748600 [0,1,0,0,0,0|0,0,2]=3 4063 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000748600_100000033659 [0,1,0,0,0,0|0,0,2]=3 4064 B12R0.234 CC#CCSCCCCSC(=O)C 62a_100000748600_200010402107 [0,1,0,0,0,0|0,1,2]=4 4065 B12R0.234 CC#CCSCCCCSC(=O)C 62a_200010402107_100000748600 [0,1,0,0,0,0|0,1,2]=4 4066 B12R0.234 CC#CCSCOCCOC(=O)C 62a_100000076355_100000748600 [0,1,0,0,0,0|1,0,2]=4 4067 B12R0.234 CC#CCSCOCCOC(=O)C 62a_100000748600_100000076355 [0,1,0,0,0,0|1,0,2]=4 4068 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,1,0,0,0,0|3,0,0]=4 4069 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,1,0,0,0,0|3,0,0]=4 4070 B12R0.234 CC(=CCCOCCCCCBr)C 34a_100000746331_100011217483 [0,1,0,0,0,0|3,0,0]=4 4071 B12R0.234 CC(=CCCOCCCCCBr)C 7a_100000746331_100011217483 [0,1,0,0,0,0|3,0,0]=4 4072 B12R0.234 CC(=CCCOCCCCCCl)C 34a_100000746330_100011217483 [0,1,0,0,0,0|3,0,0]=4 4073 B12R0.234 CC(=CCCOCCCCCCl)C 7a_100000746330_100011217483 [0,1,0,0,0,0|3,0,0]=4 4074 B12R0.234 CC(=CCCOCCCCCI)C 34a_200012148887_100011217483 [0,1,0,0,0,0|3,0,0]=4 4075 B12R0.234 CC(=CCCOCCCCCI)C 7a_200012148887_100011217483 [0,1,0,0,0,0|3,0,0]=4 4076 B12R0.234 CC(=CCCOCCCCCN)C 34a_100000762737_100011217483 [0,1,0,0,0,0|3,0,0]=4 4077 B12R0.234 CC(=CCCSCCCCCF)C 62a_100000729378_100011217483 [0,1,0,0,0,0|3,0,0]=4 4078 B12R0.234 CC(=CCCSCCCCCF)C 62a_100011217483_100000729378 [0,1,0,0,0,0|3,0,0]=4 4079 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,1,0,0,0,0|3,0,0]=4 4080 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,1,0,0,0,0|3,0,0]=4 4081 B12R0.234 CC(=CCNCCCCCCF)C 34a_100000718196_100015922095 [0,1,0,0,0,0|3,0,0]=4 4082 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,1,0,0,0,0|3,0,0]=4 4083 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,1,0,0,0,0|3,0,0]=4 4084 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,1,0,0,0,0|3,0,0]=4 4085 B12R0.234 CC(=CCOCCCCCCBr)C 34a_100011215345_100000761012 [0,1,0,0,0,0|3,0,0]=4 4086 B12R0.234 CC(=CCOCCCCCCBr)C 7a_100011215345_100000761012 [0,1,0,0,0,0|3,0,0]=4 4087 B12R0.234 CC(=CCOCCCCCCCl)C 34a_100000766143_100000761012 [0,1,0,0,0,0|3,0,0]=4 4088 B12R0.234 CC(=CCOCCCCCCCl)C 7a_100000766143_100000761012 [0,1,0,0,0,0|3,0,0]=4 4089 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000732779_100000761012 [0,1,0,0,0,0|3,0,0]=4 4090 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000753907_100015922095 [0,1,0,0,0,0|3,0,0]=4 4091 B12R0.234 CC(=CCOCCCCCCF)C 7a_100000732779_100000761012 [0,1,0,0,0,0|3,0,0]=4 4092 B12R0.234 CC(=CCOCCCCCCN)C 34a_100000686447_100000761012 [0,1,0,0,0,0|3,0,0]=4 4093 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,1,0,0,0,0|3,0,0]=4 4094 B12R0.234 CC(=CCSCCCCCCF)C 62a_100000761012_100015922095 [0,1,0,0,0,0|3,0,0]=4 4095 B12R0.234 CC(=CCSCCCCCCF)C 62a_100015922095_100000761012 [0,1,0,0,0,0|3,0,0]=4 4096 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,1,0,0,0,0|3,0,0]=4 4097 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,1,0,0,0,0|3,0,0]=4 4098 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,0]=2 4099 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,0]=2 4100 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,0]=3 4101 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,0]=3 4102 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,0]=3 4103 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,0]=3 4104 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,0]=3 4105 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,0]=3 4106 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,0]=3 4107 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,0]=3 4108 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,1,0,0,0,0|2,0,1]=4 4109 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,1,0,0,0,0|2,0,1]=4 4110 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,1,0,0,0,0|2,0,1]=4 4111 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,1,0,0,0,0|2,0,1]=4 4112 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,0]=3 4113 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,0]=3 4114 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|2,0,0]=3 4115 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|2,0,0]=3 4116 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,0]=3 4117 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,1,0,0,0,0|3,0,0]=4 4118 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,1,0,0,0,0|2,0,1]=4 4119 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,1,0,0,0,0|2,0,1]=4 4120 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,0]=3 4121 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,0]=3 4122 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,0]=3 4123 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,0]=3 4124 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,0]=3 4125 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,0]=3 4126 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,0]=3 4127 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,0]=3 4128 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,0]=3 4129 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|2,0,0]=3 4130 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|2,0,0]=3 4131 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,1,0,0,0,0|3,0,0]=4 4133 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,1,0,0,0,0|3,0,0]=4 4134 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,1,0,0,0,0|3,0,0]=4 4135 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,1,0,0,0,0|3,0,0]=4 4136 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,1,0,0,0,0|3,0,0]=4 4137 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,1,0,0,0,0|3,0,0]=4 4138 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,1,0,0,0,0|3,0,0]=4 4139 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,1,0,0,0,0|3,0,0]=4 4140 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,1,0,0,0,0|3,0,0]=4 4141 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,1,0,0,0,0|3,0,0]=4 4142 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,1,0,0,0,0|2,0,1]=4 4143 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,1,0,0,0,0|2,0,1]=4 4144 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,1,0,0,0,0|2,0,1]=4 4145 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,1,0,0,0,0|2,0,1]=4 4146 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,0]=3 4147 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,0]=3 4148 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|2,0,0]=3 4149 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|2,0,0]=3 4150 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,1,0,0,0,0|3,0,0]=4 4151 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,1,0,0,0,0|3,0,0]=4 4152 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,1,0,0,0,0|2,0,1]=4 4153 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,1,0,0,0,0|2,0,1]=4 4154 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,0]=3 4155 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,0]=3 4156 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,0]=3 4157 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,0]=3 4158 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,0]=3 4159 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|2,0,0]=3 4160 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|2,0,0]=3 4161 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,1,0,0,0,0|2,0,1]=4 4162 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,1,0,0,0,0|2,0,1]=4 4163 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,1,0,0,0,0|2,0,1]=4 4164 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,1,0,0,0,0|2,0,1]=4 4165 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,0]=3 4166 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,0]=3 4167 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|2,0,0]=3 4168 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|2,0,0]=3 4169 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|1,0,0]=2 4170 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|1,0,0]=2 4171 B12R0.234 CC(=O)NCCCCCCN=[N+]=[N-] 240690a_200000049180_100015343762 [0,1,0,0,0,0|3,0,0]=4 4172 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,1,0,0,0,0|2,0,0]=3 4173 B12R0.234 CC(=O)NCCCCCNCC#N 2230a_200012022750_100011215382 [0,1,0,0,0,0|2,0,1]=4 4174 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,1,0,0,0,0|2,0,1]=4 4175 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,1,0,0,0,0|2,0,1]=4 4176 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,1,0,0,0,0|2,0,0]=3 4177 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,1,0,0,0,0|2,0,0]=3 4178 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,1,0,0,0,0|2,0,0]=3 4179 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,1,0,0,0,0|2,0,0]=3 4180 B12R0.234 CC(=O)NCCCCNCCC#N 2230a_200011368371_100011215226 [0,1,0,0,0,0|2,0,1]=4 4181 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,1,0,0,0,0|2,0,0]=3 4182 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,1,0,0,0,0|2,0,0]=3 4183 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,1,0,0,0,0|2,0,0]=3 4184 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,1,0,0,0,0|2,0,0]=3 4185 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,1,0,0,0,0|2,0,0]=3 4186 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,1,0,0,0,0|2,0,0]=3 4187 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,1,0,0,0,0|2,0,0]=3 4188 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,1,0,0,0,0|2,0,0]=3 4189 B12R0.234 CC(=O)NCCNCCCCC#N 2230a_100000209853_100000211819 [0,1,0,0,0,0|2,0,1]=4 4190 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,1,0,0,0,0|2,0,1]=4 4191 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,1,0,0,0,0|2,0,0]=3 4192 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,1,0,0,0,0|2,0,0]=3 4193 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,1,0,0,0,0|2,0,0]=3 4194 B12R0.234 CC(=O)NCCNCCOCCO 2230a_100000209853_100011215305 [0,1,0,0,0,0|3,0,0]=4 4195 B12R0.234 CC(=O)NCCNCCOCCO 2230a_100000211614_100000189650 [0,1,0,0,0,0|3,0,0]=4 4196 B12R0.234 CC(=O)NCCNCCSCCO 2230a_100011219999_100000189650 [0,1,0,0,0,0|3,0,0]=4 4197 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,1,0,0,0,0|2,0,0]=3 4198 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,1,0,0,0,0|2,0,0]=3 4199 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,1,0,0,0,0|2,0,0]=3 4200 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,1,0,0,0,0|2,0,0]=3 4201 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,1,0,0,0,0|2,0,0]=3 4202 B12R0.234 CC(=O)NCCOCCOCCBr 7a_100000692535_100000189650 [0,1,0,0,0,0|3,0,0]=4 4203 B12R0.234 CC(=O)NCCOCCOCCCl 7a_100011215305_100000189650 [0,1,0,0,0,0|3,0,0]=4 4204 B12R0.234 CC(=O)NCCOCCOCCF 7a_200015357709_100000189650 [0,1,0,0,0,0|3,0,0]=4 4205 B12R0.234 CC(=O)NCCOCCOCCI 7a_100012149058_100000189650 [0,1,0,0,0,0|3,0,0]=4 4206 B12R0.234 CC(=O)NCCOCCOCCO 240690a_100011998139_100015343762 [0,1,0,0,0,0|3,0,0]=4 4207 B12R0.234 CC(=O)NCCOCCOCCO 34a_100000158858_100000692535 [0,1,0,0,0,0|3,0,0]=4 4208 B12R0.234 CC(=O)NCCSCCCCC#N 62a_100000189650_100000211819 [0,1,0,0,0,0|2,0,1]=4 4209 B12R0.234 CC(=O)NCCSCCCCC#N 62a_100011219923_100000189650 [0,1,0,0,0,0|2,0,1]=4 4210 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,1,0,0,0,0|2,0,1]=4 4211 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,1,0,0,0,0|2,0,1]=4 4212 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,1,0,0,0,0|2,0,0]=3 4213 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,1,0,0,0,0|2,0,0]=3 4214 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,1,0,0,0,0|2,0,0]=3 4215 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,1,0,0,0,0|2,0,0]=3 4216 B12R0.234 CC(=O)NCCSCCOCCO 62a_100000189650_100011215305 [0,1,0,0,0,0|3,0,0]=4 4217 B12R0.234 CC(=O)NCCSCCOCCO 62a_100011215305_100000189650 [0,1,0,0,0,0|3,0,0]=4 4218 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,1,0,0,0,0|1,0,0]=2 4219 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,1,0,0,0,0|1,0,0]=2 4220 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,1,0,0,0,0|1,0,0]=2 4221 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,1,0,0,0,0|1,0,0]=2 4222 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,1,0,0,0,0|1,0,0]=2 4223 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100000033007_100011215382 [0,1,0,0,0,0|1,0,1]=3 4224 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100011215382_100000033007 [0,1,0,0,0,0|1,0,1]=3 4225 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,1,0,0,0,0|1,0,1]=3 4226 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,1,0,0,0,0|1,0,1]=3 4227 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,1,0,0,0,0|1,0,0]=2 4228 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,1,0,0,0,0|1,0,0]=2 4229 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,1,0,0,0,0|1,0,0]=2 4230 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,1,0,0,0,0|1,0,0]=2 4231 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,1,0,0,0,0|1,0,0]=2 4232 B12R0.234 CC(=O)OCCCCOCCC#N 7a_100000073216_100000184422 [0,1,0,0,0,0|1,0,1]=3 4233 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,1,0,0,0,0|1,0,0]=2 4234 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,1,0,0,0,0|1,0,0]=2 4235 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,1,0,0,0,0|1,0,0]=2 4236 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,1,0,0,0,0|1,0,0]=2 4237 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,1,0,0,0,0|1,0,0]=2 4238 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,1,0,0,0,0|1,0,0]=2 4239 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,1,0,0,0,0|1,0,0]=2 4240 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,1,0,0,0,0|1,0,0]=2 4241 B12R0.234 CC(=O)OCCCCOCCON 34a_100000700252_100000033659 [0,1,0,0,0,0|2,0,0]=3 4242 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100000033659_100011215226 [0,1,0,0,0,0|1,0,1]=3 4243 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100011215226_100000033659 [0,1,0,0,0,0|1,0,1]=3 4244 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,1,0,0,0,0|1,0,0]=2 4245 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,1,0,0,0,0|1,0,0]=2 4246 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,1,0,0,0,0|1,0,0]=2 4247 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,1,0,0,0,0|1,0,0]=2 4248 B12R0.234 CC(=O)OCCCCSCSC#N 62a_100000033659_100000211825 [0,1,0,0,0,0|2,0,1]=4 4249 B12R0.234 CC(=O)OCCCCSCSC#N 62a_100000211825_100000033659 [0,1,0,0,0,0|2,0,1]=4 4250 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,1,0,0,0,0|1,0,0]=2 4251 B12R0.234 CC(=O)OCCCOCC#CCCl 34a_200000047223_100000042594 [0,1,0,0,0,0|1,0,2]=4 4252 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,1,0,0,0,0|1,0,0]=2 4253 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,1,0,0,0,0|1,0,0]=2 4254 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,1,0,0,0,0|1,0,0]=2 4255 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,1,0,0,0,0|1,0,0]=2 4256 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,1,0,0,0,0|1,0,0]=2 4257 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,1,0,0,0,0|1,0,0]=2 4258 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,1,0,0,0,0|1,0,0]=2 4259 B12R0.234 CC(=O)OCCCSCC#CCO 62a_100000042594_200000047223 [0,1,0,0,0,0|1,0,2]=4 4260 B12R0.234 CC(=O)OCCCSCC#CCO 62a_200000047223_100000042594 [0,1,0,0,0,0|1,0,2]=4 4261 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000042594_100000687738 [0,1,0,0,0,0|1,0,1]=3 4262 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000687738_100000042594 [0,1,0,0,0,0|1,0,1]=3 4263 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,1,0,0,0,0|1,0,1]=3 4264 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,1,0,0,0,0|1,0,1]=3 4265 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,1,0,0,0,0|1,0,0]=2 4266 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,1,0,0,0,0|1,0,0]=2 4267 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,1,0,0,0,0|1,0,0]=2 4268 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,1,0,0,0,0|1,0,0]=2 4269 B12R0.234 CC(=O)OCCCSCCSC#N 62a_100000034367_100000042594 [0,1,0,0,0,0|2,0,1]=4 4270 B12R0.234 CC(=O)OCCCSCCSC#N 62a_100000042594_100000034367 [0,1,0,0,0,0|2,0,1]=4 4271 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,1,0,0,0,0|1,0,0]=2 4272 B12R0.234 CC(=O)OCCNCCOCCO 34a_100000211614_100009814007 [0,1,0,0,0,0|2,0,0]=3 4273 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,1,0,0,0,0|1,0,0]=2 4274 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,1,0,0,0,0|1,0,0]=2 4275 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,1,0,0,0,0|1,0,0]=2 4276 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,1,0,0,0,0|1,0,0]=2 4277 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,1,0,0,0,0|1,0,0]=2 4278 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,1,0,0,0,0|1,0,0]=2 4279 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,1,0,0,0,0|1,0,0]=2 4280 B12R0.234 CC(=O)OCCOCCNCCF 34a_100000724931_200000083610 [0,1,0,0,0,0|2,0,0]=3 4281 B12R0.234 CC(=O)OCCOCCNCCO 2230a_100016997473_200000083610 [0,1,0,0,0,0|2,0,0]=3 4282 B12R0.234 CC(=O)OCCOCCNCCO 34a_100016990907_200000083610 [0,1,0,0,0,0|2,0,0]=3 4283 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000211926_200000083610 [0,1,0,0,0,0|2,0,0]=3 4284 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000692535_100009814007 [0,1,0,0,0,0|2,0,0]=3 4285 B12R0.234 CC(=O)OCCOCCOCCBr 7a_100000692535_100009814007 [0,1,0,0,0,0|2,0,0]=3 4286 B12R0.234 CC(=O)OCCOCCOCCCl 34a_100011215305_100009814007 [0,1,0,0,0,0|2,0,0]=3 4287 B12R0.234 CC(=O)OCCOCCOCCCl 7a_100011215305_100009814007 [0,1,0,0,0,0|2,0,0]=3 4288 B12R0.234 CC(=O)OCCOCCOCCF 34a_200015357709_100009814007 [0,1,0,0,0,0|2,0,0]=3 4289 B12R0.234 CC(=O)OCCOCCOCCF 7a_200015357709_100009814007 [0,1,0,0,0,0|2,0,0]=3 4290 B12R0.234 CC(=O)OCCOCCOCCI 34a_100012149058_100009814007 [0,1,0,0,0,0|2,0,0]=3 4291 B12R0.234 CC(=O)OCCOCCOCCI 7a_100012149058_100009814007 [0,1,0,0,0,0|2,0,0]=3 4292 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000210304_200000083610 [0,1,0,0,0,0|2,0,0]=3 4293 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000211614_100009814007 [0,1,0,0,0,0|2,0,0]=3 4294 B12R0.234 CC(=O)OCCOCCSCC#N 62a_100011215382_200000083610 [0,1,0,0,0,0|2,0,1]=4 4295 B12R0.234 CC(=O)OCCOCCSCC#N 62a_200000083610_100011215382 [0,1,0,0,0,0|2,0,1]=4 4296 B12R0.234 CC(=O)OCCOCCSCC=O 62a_200000083610_200015260668 [0,1,0,0,0,0|2,0,1]=4 4297 B12R0.234 CC(=O)OCCOCCSCC=O 62a_200015260668_200000083610 [0,1,0,0,0,0|2,0,1]=4 4298 B12R0.234 CC(=O)OCCOCCSCCF 62a_100011217306_200000083610 [0,1,0,0,0,0|2,0,0]=3 4299 B12R0.234 CC(=O)OCCOCCSCCF 62a_200000083610_100011217306 [0,1,0,0,0,0|2,0,0]=3 4300 B12R0.234 CC(=O)OCCOCCSCCO 62a_100000211926_200000083610 [0,1,0,0,0,0|2,0,0]=3 4301 B12R0.234 CC(=O)OCCOCCSCCO 62a_200000083610_100000211926 [0,1,0,0,0,0|2,0,0]=3 4302 B12R0.234 CC(=O)OCCOCNCCCF 34a_100015189416_100000076355 [0,1,0,0,0,0|2,0,0]=3 4303 B12R0.234 CC(=O)OCCOCOCCCBr 34a_100011217188_100000076355 [0,1,0,0,0,0|2,0,0]=3 4304 B12R0.234 CC(=O)OCCOCOCCCCl 34a_100000230001_100000076355 [0,1,0,0,0,0|2,0,0]=3 4305 B12R0.234 CC(=O)OCCOCOCCCF 34a_100000759539_100000076355 [0,1,0,0,0,0|2,0,0]=3 4306 B12R0.234 CC(=O)OCCOCOCCCN 34a_100000182051_100000076355 [0,1,0,0,0,0|2,0,0]=3 4307 B12R0.234 CC(=O)OCCOCOCCON 34a_100000700252_100000076355 [0,1,0,0,0,0|3,0,0]=4 4308 B12R0.234 CC(=O)OCCOCSCCC#N 62a_100000076355_100011215226 [0,1,0,0,0,0|2,0,1]=4 4309 B12R0.234 CC(=O)OCCOCSCCC#N 62a_100011215226_100000076355 [0,1,0,0,0,0|2,0,1]=4 4310 B12R0.234 CC(=O)OCCOCSCCCF 62a_100000076355_100011934791 [0,1,0,0,0,0|2,0,0]=3 4311 B12R0.234 CC(=O)OCCOCSCCCF 62a_100011934791_100000076355 [0,1,0,0,0,0|2,0,0]=3 4312 B12R0.234 CC(=O)OCCOCSCCCO 62a_100000076355_100011215043 [0,1,0,0,0,0|2,0,0]=3 4313 B12R0.234 CC(=O)OCCOCSCCCO 62a_100011215043_100000076355 [0,1,0,0,0,0|2,0,0]=3 4314 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100009814007_100000211819 [0,1,0,0,0,0|1,0,1]=3 4315 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100011219923_100009814007 [0,1,0,0,0,0|1,0,1]=3 4316 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,1,0,0,0,0|1,0,1]=3 4317 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,1,0,0,0,0|1,0,1]=3 4318 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,1,0,0,0,0|1,0,0]=2 4319 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,1,0,0,0,0|1,0,0]=2 4320 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,1,0,0,0,0|1,0,0]=2 4321 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,1,0,0,0,0|1,0,0]=2 4322 B12R0.234 CC(=O)OCCSCCOCC#N 62a_100009814007_200000047693 [0,1,0,0,0,0|2,0,1]=4 4323 B12R0.234 CC(=O)OCCSCCOCC#N 62a_200000047693_100009814007 [0,1,0,0,0,0|2,0,1]=4 4324 B12R0.234 CC(=O)OCCSCCOCCO 62a_100009814007_100011215305 [0,1,0,0,0,0|2,0,0]=3 4325 B12R0.234 CC(=O)OCCSCCOCCO 62a_100011215305_100009814007 [0,1,0,0,0,0|2,0,0]=3 4326 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,1,0,0,0,0|1,0,0]=2 4327 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,1,0,0,0,0|1,0,0]=2 4328 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,1,0,0,0,0|1,0,0]=2 4329 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,1,0,0,0,0|1,0,0]=2 4330 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,1,0,0,0,0|1,0,0]=2 4331 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100000076356_100009813376 [0,1,0,0,0,0|1,0,1]=3 4332 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100009813376_100000076356 [0,1,0,0,0,0|1,0,1]=3 4333 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,1,0,0,0,0|1,0,1]=3 4334 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,1,0,0,0,0|1,0,1]=3 4335 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,1,0,0,0,0|1,0,0]=2 4336 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,1,0,0,0,0|1,0,0]=2 4337 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,1,0,0,0,0|1,0,0]=2 4338 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,1,0,0,0,0|1,0,0]=2 4339 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,1,0,0,0,0|1,1,0]=3 4340 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,1,0,0,0,0|1,1,0]=3 4341 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,1,0,0,0,0|1,1,0]=3 4342 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,1,0,0,0,0|1,1,0]=3 4343 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,1,0,0,0,0|1,1,0]=3 4344 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,1,0,0,0,0|1,1,0]=3 4345 B12R0.234 CC(=O)SCCCCOCCON 34a_100000700252_200010402107 [0,1,0,0,0,0|2,1,0]=4 4346 B12R0.234 CC(=O)SCCCCSCCC#N 62a_100011215226_200010402107 [0,1,0,0,0,0|1,1,1]=4 4347 B12R0.234 CC(=O)SCCCCSCCC#N 62a_200010402107_100011215226 [0,1,0,0,0,0|1,1,1]=4 4348 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,1,0,0,0,0|1,1,0]=3 4349 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,1,0,0,0,0|1,1,0]=3 4350 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,1,0,0,0,0|1,1,0]=3 4351 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,1,0,0,0,0|1,1,0]=3 4352 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,1,0,0,0,0|1,1,0]=3 4353 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,1,0,0,0,0|1,1,0]=3 4354 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,1,0,0,0,0|1,1,0]=3 4355 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,1,0,0,0,0|1,1,0]=3 4356 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,1,0,0,0,0|1,1,0]=3 4357 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,1,0,0,0,0|1,1,0]=3 4358 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,1,0,0,0,0|1,1,0]=3 4359 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,1,0,0,0,0|1,1,0]=3 4360 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,1,0,0,0,0|1,1,0]=3 4361 B12R0.234 CC(=O)SCCCSCCCC#N 62a_100000038929_100000687738 [0,1,0,0,0,0|1,1,1]=4 4362 B12R0.234 CC(=O)SCCCSCCCC#N 62a_100000687738_100000038929 [0,1,0,0,0,0|1,1,1]=4 4363 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,1,0,0,0,0|1,1,1]=4 4364 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,1,0,0,0,0|1,1,1]=4 4365 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,1,0,0,0,0|1,1,0]=3 4366 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,1,0,0,0,0|1,1,0]=3 4367 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,1,0,0,0,0|1,1,0]=3 4368 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,1,0,0,0,0|1,1,0]=3 4369 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [0,1,0,0,0,0|1,1,0]=3 4370 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [0,1,0,0,0,0|1,1,0]=3 4371 B12R0.234 CC(=S)OCCCOCCCCBr 34a_100011216708_200135323944 [0,1,0,0,0,0|1,1,0]=3 4372 B12R0.234 CC(=S)OCCCOCCCCCl 34a_100000210776_200135323944 [0,1,0,0,0,0|1,1,0]=3 4373 B12R0.234 CC(=S)OCCCOCCCCCl 7a_100000210776_200135323944 [0,1,0,0,0,0|1,1,0]=3 4374 B12R0.234 CC(=S)OCCCOCCCCF 34a_100011995726_200135323944 [0,1,0,0,0,0|1,1,0]=3 4375 B12R0.234 CC(=S)OCCCOCCCCF 7a_100011995726_200135323944 [0,1,0,0,0,0|1,1,0]=3 4376 B12R0.234 CC(=S)OCCCOCCCCI 34a_200012148704_200135323944 [0,1,0,0,0,0|1,1,0]=3 4377 B12R0.234 CC(=S)OCCCOCCCCN 34a_100000750430_200135323944 [0,1,0,0,0,0|1,1,0]=3 4378 B12R0.234 CC(=S)OCCCSCCCC#N 62a_100000687738_200135323944 [0,1,0,0,0,0|1,1,1]=4 4379 B12R0.234 CC(=S)OCCCSCCCC#N 62a_200135323944_100000687738 [0,1,0,0,0,0|1,1,1]=4 4380 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200011292268_200135323944 [0,1,0,0,0,0|1,1,1]=4 4381 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200135323944_200011292268 [0,1,0,0,0,0|1,1,1]=4 4382 B12R0.234 CC(=S)OCCCSCCCCF 62a_100000729493_200135323944 [0,1,0,0,0,0|1,1,0]=3 4383 B12R0.234 CC(=S)OCCCSCCCCF 62a_200135323944_100000729493 [0,1,0,0,0,0|1,1,0]=3 4384 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [0,1,0,0,0,0|1,1,0]=3 4385 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [0,1,0,0,0,0|1,1,0]=3 4386 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,1,0,0,0,0|2,0,1]=4 4387 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,1,0,0,0,0|2,0,1]=4 4388 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,1,0,0,0,0|2,0,1]=4 4389 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,1,0,0,0,0|2,0,1]=4 4390 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,1,0,0,0,0|2,0,1]=4 4391 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,1,0,0,0,0|2,0,1]=4 4392 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,1,0,0,0,0|2,0,1]=4 4393 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,1,0,0,0,0|2,0,1]=4 4394 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,1,0,0,0,0|2,0,1]=4 4395 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,1,0,0,0,0|1,0,1]=3 4396 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,1,0,0,0,0|1,0,1]=3 4397 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,1,0,0,0,0|1,0,1]=3 4398 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,1,0,0,0,0|1,0,1]=3 4399 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,1,0,0,0,0|1,0,1]=3 4400 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,1,0,0,0,0|1,0,1]=3 4401 B12R0.234 CC(C)OCCCCCNCCN 34a_103619048469_100000210206 [0,1,0,0,0,0|2,0,1]=4 4402 B12R0.234 CC(C)OCCCNCCCCF 2230a_100000737246_100000729493 [0,1,0,0,0,0|2,0,1]=4 4403 B12R0.234 CC(C)OCCCNCCCCF 34a_100000737246_100000729493 [0,1,0,0,0,0|2,0,1]=4 4404 B12R0.234 CC(C)OCCCNCCCCO 2230a_100000737246_100000210776 [0,1,0,0,0,0|2,0,1]=4 4405 B12R0.234 CC(C)OCCCNCCCCO 34a_100000737246_100011216708 [0,1,0,0,0,0|2,0,1]=4 4406 B12R0.234 CC(C)OCCNCCCCCF 2230a_100000701111_100000729378 [0,1,0,0,0,0|2,0,1]=4 4407 B12R0.234 CC(C)OCCNCCCCCF 34a_100000701111_100000729378 [0,1,0,0,0,0|2,0,1]=4 4408 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000701111_100000746330 [0,1,0,0,0,0|2,0,1]=4 4409 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000762737_100000211751 [0,1,0,0,0,0|2,0,1]=4 4410 B12R0.234 CC(C)OCCNCCCCCO 34a_100000701111_100000746330 [0,1,0,0,0,0|2,0,1]=4 4411 B12R0.234 CC(C)OCCNCCCCCO 34a_100000762737_100000211751 [0,1,0,0,0,0|2,0,1]=4 4412 B12R0.234 CC(C)OCCOCCCCCBr 34a_100000746331_100000211751 [0,1,0,0,0,0|2,0,1]=4 4413 B12R0.234 CC(C)OCCOCCCCCBr 7a_100000746331_100000211751 [0,1,0,0,0,0|2,0,1]=4 4414 B12R0.234 CC(C)OCCOCCCCCCl 34a_100000746330_100000211751 [0,1,0,0,0,0|2,0,1]=4 4415 B12R0.234 CC(C)OCCOCCCCCCl 7a_100000746330_100000211751 [0,1,0,0,0,0|2,0,1]=4 4416 B12R0.234 CC(C)OCCOCCCCCF 34a_100000211219_100000729378 [0,1,0,0,0,0|2,0,1]=4 4417 B12R0.234 CC(C)OCCOCCCCCF 7a_100000211219_100000729378 [0,1,0,0,0,0|2,0,1]=4 4418 B12R0.234 CC(C)OCCOCCCCCI 34a_200012148887_100000211751 [0,1,0,0,0,0|2,0,1]=4 4419 B12R0.234 CC(C)OCCOCCCCCI 7a_200012148887_100000211751 [0,1,0,0,0,0|2,0,1]=4 4420 B12R0.234 CC(C)OCCOCCCCCN 34a_100000762737_100000211751 [0,1,0,0,0,0|2,0,1]=4 4421 B12R0.234 CC(C)OCCOCCCCCO 34a_100000211219_100000746330 [0,1,0,0,0,0|2,0,1]=4 4422 B12R0.234 CC(C)OCCOCCCCCO 7a_100000211219_100000746330 [0,1,0,0,0,0|2,0,1]=4 4423 B12R0.234 CC(C)OCCSCCCCCF 62a_100000211751_100000729378 [0,1,0,0,0,0|2,0,1]=4 4424 B12R0.234 CC(C)OCCSCCCCCF 62a_100000729378_100000211751 [0,1,0,0,0,0|2,0,1]=4 4425 B12R0.234 CC(C)OCCSCCCCCO 62a_100000211751_100000746330 [0,1,0,0,0,0|2,0,1]=4 4426 B12R0.234 CC(C)OCCSCCCCCO 62a_100000746330_100000211751 [0,1,0,0,0,0|2,0,1]=4 4427 B12R0.234 CC(C)OCNCCCCCCO 2230a_100000686447_100000709892 [0,1,0,0,0,0|2,0,1]=4 4428 B12R0.234 CC(C)OCNCCCCCCO 34a_100000686447_100000709892 [0,1,0,0,0,0|2,0,1]=4 4429 B12R0.234 CC(C)OCOCCCCCCBr 34a_100011215345_100000709892 [0,1,0,0,0,0|2,0,1]=4 4430 B12R0.234 CC(C)OCOCCCCCCCl 34a_100000766143_100000709892 [0,1,0,0,0,0|2,0,1]=4 4431 B12R0.234 CC(C)OCOCCCCCCF 34a_100000732779_100000709892 [0,1,0,0,0,0|2,0,1]=4 4432 B12R0.234 CC(C)OCOCCCCCCN 34a_100000686447_100000709892 [0,1,0,0,0,0|2,0,1]=4 4433 B12R0.234 CC(C)OCSCCCCCCF 62a_100000709892_100015922095 [0,1,0,0,0,0|2,0,1]=4 4434 B12R0.234 CC(C)OCSCCCCCCF 62a_100015922095_100000709892 [0,1,0,0,0,0|2,0,1]=4 4435 B12R0.234 CC(C)OCSCCCCCCO 62a_100000709892_100000766143 [0,1,0,0,0,0|2,0,1]=4 4436 B12R0.234 CC(C)OCSCCCCCCO 62a_100000766143_100000709892 [0,1,0,0,0,0|2,0,1]=4 4437 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,1,0,0,0,0|1,1,1]=4 4438 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,1,0,0,0,0|1,1,1]=4 4439 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,1,0,0,0,0|2,0,1]=4 4440 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 4441 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 4442 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 4443 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,1,0,0,0,0|1,0,2]=4 4444 B12R0.234 CC/C=C/CCCOCOC(=O)C 34a_100016287902_100009813279 [0,1,0,0,0,0|0,0,2]=3 4445 B12R0.234 CC/C=C\CCCCCOC(C)C 34a_100016268722_100000210206 [0,1,0,0,0,0|1,0,2]=4 4446 B12R0.234 CC/C=C\CCCCCOC(C)C 7a_100016268722_100000210206 [0,1,0,0,0,0|1,0,2]=4 4447 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 4448 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 4449 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,1,0,0,0,0|1,0,2]=4 4450 B12R0.234 CC/C=C\CCNCCNC(=O)C 2230a_100000209853_100015370543 [0,1,0,0,0,0|1,0,2]=4 4451 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,1,0,0,0,0|1,0,2]=4 4452 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,1,0,0,0,0|1,0,2]=4 4453 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,1,0,0,0,0|1,0,2]=4 4454 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,1,0,0,0,0|1,0,2]=4 4455 B12R0.234 CC/C=C\CCOCCNC(=O)C 34a_100000158858_100015370543 [0,1,0,0,0,0|1,0,2]=4 4456 B12R0.234 CC/C=C\CCOCCNC(=O)C 7a_100016288707_100000189650 [0,1,0,0,0,0|1,0,2]=4 4457 B12R0.234 CC/C=C\CCOCCOC(=O)C 34a_100016288707_100009814007 [0,1,0,0,0,0|0,0,2]=3 4458 B12R0.234 CC/C=C\CCOCCOC(=O)C 7a_100016288707_100009814007 [0,1,0,0,0,0|0,0,2]=3 4459 B12R0.234 CC/C=C\CCOCCOC(=O)N 34a_100016288707_200011214921 [0,1,0,0,0,0|1,0,2]=4 4460 B12R0.234 CC/C=C\CCOCCOC(=O)N 7a_100000766696_100015370543 [0,1,0,0,0,0|1,0,2]=4 4461 B12R0.234 CC/C=C\CCOCCOC(=O)N 7a_100016288707_200011214921 [0,1,0,0,0,0|1,0,2]=4 4462 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,1,0,0,0,0|1,0,2]=4 4463 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,1,0,0,0,0|1,0,2]=4 4464 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100000189650_100015370543 [0,1,0,0,0,0|1,0,2]=4 4465 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100015370543_100000189650 [0,1,0,0,0,0|1,0,2]=4 4466 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100009814007_100015370543 [0,1,0,0,0,0|0,0,2]=3 4467 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100015370543_100009814007 [0,1,0,0,0,0|0,0,2]=3 4468 B12R0.234 CC/C=C\CCSCCOC(=O)N 62a_100015370543_200011214921 [0,1,0,0,0,0|1,0,2]=4 4469 B12R0.234 CC/C=C\CCSCCOC(=O)N 62a_200011214921_100015370543 [0,1,0,0,0,0|1,0,2]=4 4470 B12R0.234 CC/C=C\CNCCCNC(=O)C 34a_100000736810_100103147603 [0,1,0,0,0,0|1,0,2]=4 4471 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,1,0,0,0,0|1,0,2]=4 4472 B12R0.234 CC/C=C\COCCCNC(=O)C 34a_100000752032_100103147603 [0,1,0,0,0,0|1,0,2]=4 4473 B12R0.234 CC/C=C\COCCCOC(=O)C 34a_100016268518_100000042594 [0,1,0,0,0,0|0,0,2]=3 4474 B12R0.234 CC/C=C\COCCCOC(=S)C 34a_100016268518_200135323944 [0,1,0,0,0,0|0,1,2]=4 4475 B12R0.234 CC/C=C\COCCCSC(=O)C 34a_100016268518_100000038929 [0,1,0,0,0,0|0,1,2]=4 4476 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,1,0,0,0,0|1,0,2]=4 4477 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,1,0,0,0,0|1,0,2]=4 4478 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100000042594_100103147603 [0,1,0,0,0,0|0,0,2]=3 4479 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100103147603_100000042594 [0,1,0,0,0,0|0,0,2]=3 4480 B12R0.234 CC/C=C\CSCCCOC(=S)C 62a_100103147603_200135323944 [0,1,0,0,0,0|0,1,2]=4 4481 B12R0.234 CC/C=C\CSCCCOC(=S)C 62a_200135323944_100103147603 [0,1,0,0,0,0|0,1,2]=4 4482 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100000038929_100103147603 [0,1,0,0,0,0|0,1,2]=4 4483 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100103147603_100000038929 [0,1,0,0,0,0|0,1,2]=4 4484 B12R0.234 CC=C=CCCOCCOC(=O)C 34a_100011020354_100009814007 [0,1,0,0,0,0|0,0,3]=4 4485 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,1,0,0,0,0|1,0,2]=4 4486 B12R0.234 CC=CCCCOCCOC(=O)C 34a_100020645299_100009814007 [0,1,0,0,0,0|0,0,2]=3 4487 B12R0.234 CC=CCCCOCCOC(=O)N 34a_100020645299_200011214921 [0,1,0,0,0,0|1,0,2]=4 4488 B12R0.234 CC=CCNCCCCNC(=O)C 2230a_200011368371_100000070051 [0,1,0,0,0,0|1,0,2]=4 4489 B12R0.234 CC=CCNCCCCNC(=O)C 34a_200011368371_100000070051 [0,1,0,0,0,0|1,0,2]=4 4490 B12R0.234 CC=CCOCCCCOC(=O)C 34a_100000073216_100000070051 [0,1,0,0,0,0|0,0,2]=3 4491 B12R0.234 CC=CCOCCCCOC(=O)C 7a_100000073216_100000070051 [0,1,0,0,0,0|0,0,2]=3 4492 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000033659_100000070051 [0,1,0,0,0,0|0,0,2]=3 4493 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000070051_100000033659 [0,1,0,0,0,0|0,0,2]=3 4494 B12R0.234 CC=CCSCCCCSC(=O)C 62a_100000070051_200010402107 [0,1,0,0,0,0|0,1,2]=4 4495 B12R0.234 CC=CCSCCCCSC(=O)C 62a_200010402107_100000070051 [0,1,0,0,0,0|0,1,2]=4 4496 B12R0.234 CC=CCSCOCCOC(=O)C 62a_100000070051_100000076355 [0,1,0,0,0,0|1,0,2]=4 4497 B12R0.234 CC=CCSCOCCOC(=O)C 62a_100000076355_100000070051 [0,1,0,0,0,0|1,0,2]=4 4498 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,1,0,0,0,0|1,0,1]=3 4499 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,1,0,0,0,0|1,0,2]=4 4500 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,1,0,0,0,0|1,0,2]=4 4501 B12R0.234 CCC#CCCOCCNC(=O)C 7a_100000036655_100000189650 [0,1,0,0,0,0|1,0,2]=4 4502 B12R0.234 CCC#CCCOCCOC(=O)C 34a_100000036655_100009814007 [0,1,0,0,0,0|0,0,2]=3 4503 B12R0.234 CCC#CCCOCCOC(=O)C 7a_100000036655_100009814007 [0,1,0,0,0,0|0,0,2]=3 4504 B12R0.234 CCC#CCCOCCOC(=O)N 34a_100000036655_200011214921 [0,1,0,0,0,0|1,0,2]=4 4505 B12R0.234 CCC#CCCOCCOC(=O)N 7a_100000036655_200011214921 [0,1,0,0,0,0|1,0,2]=4 4506 B12R0.234 CCC#CCNCCCNC(=O)C 34a_100000736810_100009813939 [0,1,0,0,0,0|1,0,2]=4 4507 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,1,0,0,0,0|1,0,2]=4 4508 B12R0.234 CCC#CCOCCCNC(=O)C 34a_100000752032_100009813939 [0,1,0,0,0,0|1,0,2]=4 4509 B12R0.234 CCC#CCOCCCOC(=O)C 34a_100000032950_100000042594 [0,1,0,0,0,0|0,0,2]=3 4510 B12R0.234 CCC#CCOCCCOC(=S)C 34a_100000032950_200135323944 [0,1,0,0,0,0|0,1,2]=4 4511 B12R0.234 CCC#CCOCCCSC(=O)C 34a_100000032950_100000038929 [0,1,0,0,0,0|0,1,2]=4 4512 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,1,0,0,0,0|1,0,2]=4 4513 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,1,0,0,0,0|1,0,2]=4 4514 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100000042594_100009813939 [0,1,0,0,0,0|0,0,2]=3 4515 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100009813939_100000042594 [0,1,0,0,0,0|0,0,2]=3 4516 B12R0.234 CCC#CCSCCCOC(=S)C 62a_100009813939_200135323944 [0,1,0,0,0,0|0,1,2]=4 4517 B12R0.234 CCC#CCSCCCOC(=S)C 62a_200135323944_100009813939 [0,1,0,0,0,0|0,1,2]=4 4518 B12R0.234 CCC#CCSCCCSC(=O)C 62a_100000038929_100009813939 [0,1,0,0,0,0|0,1,2]=4 4519 B12R0.234 CCC#CCSCCCSC(=O)C 62a_100009813939_100000038929 [0,1,0,0,0,0|0,1,2]=4 4520 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,1,0,0,0,0|1,0,2]=4 4521 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,1,0,0,0,0|1,0,2]=4 4522 B12R0.234 CCC/C=C/COCCNC(=O)C 7a_100016278788_100000189650 [0,1,0,0,0,0|1,0,2]=4 4523 B12R0.234 CCC/C=C/COCCOC(=O)C 34a_100016278788_100009814007 [0,1,0,0,0,0|0,0,2]=3 4524 B12R0.234 CCC/C=C/COCCOC(=O)C 7a_100016278788_100009814007 [0,1,0,0,0,0|0,0,2]=3 4525 B12R0.234 CCC/C=C/COCCOC(=O)N 34a_100016278788_200011214921 [0,1,0,0,0,0|1,0,2]=4 4526 B12R0.234 CCC/C=C/COCCOC(=O)N 7a_100016278788_200011214921 [0,1,0,0,0,0|1,0,2]=4 4527 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,1,0,0,0,0|1,0,2]=4 4528 B12R0.234 CCCC#CCCOCOC(=O)C 34a_100000042726_100009813279 [0,1,0,0,0,0|0,0,2]=3 4529 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,1,0,0,0,0|1,0,2]=4 4530 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,1,0,0,0,0|1,0,2]=4 4531 B12R0.234 CCCC#CCOCCNC(=O)C 7a_100000034806_100000189650 [0,1,0,0,0,0|1,0,2]=4 4532 B12R0.234 CCCC#CCOCCOC(=O)C 34a_100000034806_100009814007 [0,1,0,0,0,0|0,0,2]=3 4533 B12R0.234 CCCC#CCOCCOC(=O)C 7a_100000034806_100009814007 [0,1,0,0,0,0|0,0,2]=3 4534 B12R0.234 CCCC#CCOCCOC(=O)N 34a_100000034806_200011214921 [0,1,0,0,0,0|1,0,2]=4 4535 B12R0.234 CCCC#CCOCCOC(=O)N 7a_100000034806_200011214921 [0,1,0,0,0,0|1,0,2]=4 4536 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,1,0,0,0,0|1,0,2]=4 4537 B12R0.234 CCCC/C=C/COCOC(=O)C 34a_200016272032_100009813279 [0,1,0,0,0,0|0,0,2]=3 4538 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 4539 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 4540 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,1,0,0,0,0|1,0,2]=4 4541 B12R0.234 CCCCC#CCCCOC(C)C 34a_100000212225_200000047210 [0,1,0,0,0,0|1,0,2]=4 4542 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 4543 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 4544 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,1,0,0,0,0|1,0,2]=4 4545 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,1,0,0,0,0|1,0,2]=4 4546 B12R0.234 CCCCC#CCOCOC(=O)C 34a_200000034558_100009813279 [0,1,0,0,0,0|0,0,2]=3 4547 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 4548 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 4549 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,1,0,0,0,0|1,0,2]=4 4550 B12R0.234 CCCCC/C=C\CCOC(C)C 34a_100016277358_100000210206 [0,1,0,0,0,0|1,0,2]=4 4551 B12R0.234 CCCCC/C=C\CCOC(C)C 7a_100016277358_100000210206 [0,1,0,0,0,0|1,0,2]=4 4552 B12R0.234 CCCCCC#CCCOC(C)C 34a_200000042877_100000210206 [0,1,0,0,0,0|1,0,2]=4 4553 B12R0.234 CCCCCC#CCCOC(C)C 7a_200000042877_100000210206 [0,1,0,0,0,0|1,0,2]=4 4554 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,1,0,0,0,0|0,0,2]=3 4555 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 4556 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 4557 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,1,0,0,0,0|1,0,2]=4 4558 B12R0.234 CCCCCC/C=C/COC(C)C 34a_200016276170_100000210206 [0,1,0,0,0,0|1,0,2]=4 4559 B12R0.234 CCCCCC/C=C/COC(C)C 7a_200016276170_100000210206 [0,1,0,0,0,0|1,0,2]=4 4560 B12R0.234 CCCCCCC#CCOC(C)C 34a_200000037284_100000210206 [0,1,0,0,0,0|1,0,2]=4 4561 B12R0.234 CCCCCCC#CCOC(C)C 7a_200000037284_100000210206 [0,1,0,0,0,0|1,0,2]=4 4562 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,1,0,0,0,0|1,0,1]=3 4563 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|1,0,0]=2 4564 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|1,0,0]=2 4565 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|1,0,0]=2 4566 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|1,0,0]=2 4567 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|1,0,0]=2 4568 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,1,0,0,0,0|3,0,0]=4 4569 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,1,0,0,0,0|3,0,0]=4 4570 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,1,0,0,0,0|3,0,0]=4 4571 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,1,0,0,0,0|3,0,0]=4 4572 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,1,0,0,0,0|3,0,0]=4 4573 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,1,0,0,0,0|3,0,0]=4 4574 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 4575 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 4576 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 4577 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,0]=2 4578 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 4579 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 4580 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 4581 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 4582 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,1,0,0,0,0|1,0,1]=3 4583 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,1,0,0,0,0|1,0,1]=3 4584 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,1,0,0,0,0|1,0,1]=3 4585 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,1,0,0,0,0|1,1,1]=4 4586 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|2,0,0]=3 4587 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|2,0,0]=3 4588 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|2,0,0]=3 4589 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|2,0,0]=3 4590 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|2,0,0]=3 4591 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 4592 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,1,0,0,0,0|2,0,1]=4 4593 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,1,0,0,0,0|2,0,1]=4 4594 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 4595 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,1,0,0,0,0|2,0,1]=4 4596 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|1,0,2]=4 4597 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|1,0,2]=4 4598 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,2]=4 4599 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|1,0,2]=4 4600 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|1,0,2]=4 4601 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|1,0,2]=4 4602 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,1,0,0,0,0|3,0,0]=4 4603 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|0,0,0]=1 4604 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|0,0,0]=1 4605 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 4606 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 4607 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|0,0,0]=1 4608 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|1,0,0]=2 4609 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,1,0,0,0,0|1,0,1]=3 4610 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,1,0,0,0,0|1,0,1]=3 4611 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,1,0,0,0,0|1,0,1]=3 4612 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,1,0,0,0,0|1,0,1]=3 4613 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,1,0,0,0,0|1,0,1]=3 4614 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|0,0,2]=3 4615 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|0,0,2]=3 4616 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 4617 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,1,0,0,0,0|2,0,1]=4 4618 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 4619 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,1,0,0,0,0|1,0,1]=3 4620 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,1,0,0,0,0|1,0,1]=3 4621 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|0,0,2]=3 4622 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|0,0,2]=3 4623 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,1,0,0,0,0|2,0,0]=3 4624 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,1,0]=3 4625 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,1,0]=3 4626 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|1,1,0]=3 4627 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|1,1,0]=3 4628 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,1,0,0,0,0|1,1,1]=4 4629 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,1,0,0,0,0|1,1,1]=4 4630 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|0,1,2]=4 4631 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|0,1,2]=4 4632 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|0,1,2]=4 4633 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|0,1,2]=4 4634 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,1,0,0,0,0|2,1,0]=4 4635 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,1,0,0,0,0|2,0,0]=3 4636 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,1,0,0,0,0|2,0,0]=3 4637 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|2,0,0]=3 4638 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,1,0,0,0,0|2,0,1]=4 4639 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,1,0,0,0,0|2,0,1]=4 4640 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|1,0,2]=4 4641 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|1,0,2]=4 4642 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [0,1,0,0,0,0|1,0,1]=3 4643 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|2,0,0]=3 4644 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,1,0,0,0,0|2,0,0]=3 4645 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,1,0,0,0,0|2,0,0]=3 4646 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,1,0,0,0,0|2,0,0]=3 4647 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,0]=2 4648 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,0]=2 4649 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,0]=2 4650 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|2,0,0]=3 4651 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|2,0,0]=3 4652 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|2,0,0]=3 4653 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|2,0,0]=3 4654 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,1,0,0,0,0|2,0,1]=4 4657 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,1,0,0,0,0|2,0,1]=4 4658 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,1,0,0,0,0|2,0,1]=4 4659 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 4660 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 4661 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,1,0,0,0,0|3,0,0]=4 4662 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,1,0,0,0,0|2,0,1]=4 4663 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,1,0,0,0,0|0,0,0]=1 4664 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [0,1,0,0,0,0|1,0,1]=3 4665 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,1,0,0,0,0|2,0,0]=3 4666 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,1,0,0,0,0|2,0,0]=3 4667 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,0]=2 4668 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,0]=2 4669 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|2,0,0]=3 4670 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|2,0,0]=3 4671 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,1,0,0,0,0|2,0,1]=4 4672 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,1,0,0,0,0|2,0,1]=4 4673 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|1,0,2]=4 4674 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|1,0,2]=4 4675 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,1,0,0,0,0|3,0,0]=4 4676 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,1,0,0,0,0|0,0,0]=1 4677 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,1,0,0,0,0|0,0,0]=1 4678 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [0,1,0,0,0,0|1,0,1]=3 4679 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [0,1,0,0,0,0|1,0,1]=3 4680 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,1,0,0,0,0|2,0,0]=3 4681 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,1,0,0,0,0|3,0,0]=4 4682 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|2,0,0]=3 4683 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,1,0,0,0,0|2,0,1]=4 4684 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,1,0,0,0,0|2,0,1]=4 4686 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|1,0,2]=4 4687 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,1,0,0,0,0|2,0,0]=3 4688 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,0,0,0,0|1,0,0]=2 4689 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,0,0,0,0|1,0,0]=2 4690 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,0,0,0,0|2,0,0]=3 4691 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,0,0,0,0|2,0,0]=3 4692 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [0,1,0,0,0,0|1,0,1]=3 4693 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [0,1,0,0,0,0|1,0,1]=3 4694 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [0,1,0,0,0,0|1,0,1]=3 4695 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000210581_100000730970 [0,1,0,0,0,0|1,1,1]=4 4696 B12R0.234 CCCCCCNCCSC(C)C 2230a_100000731138_100000210314 [0,1,0,0,0,0|1,1,1]=4 4697 B12R0.234 CCCCCCNCCSC(C)C 34a_100000731138_100000210314 [0,1,0,0,0,0|1,1,1]=4 4698 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,1,0,0,0,0|2,0,0]=3 4699 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,1,0,0,0,0|2,0,0]=3 4700 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,1,0,0,0,0|3,0,0]=4 4701 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,1,0,0,0,0|3,0,0]=4 4702 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,0]=2 4703 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,0]=2 4704 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,0]=2 4705 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,0]=2 4706 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|2,0,0]=3 4707 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|2,0,0]=3 4708 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,1,0,0,0,0|2,0,1]=4 4709 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,1,0,0,0,0|2,0,1]=4 4710 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,1,0,0,0,0|2,0,1]=4 4711 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,1,0,0,0,0|2,0,1]=4 4712 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 4713 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 4714 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,1,0,0,0,0|3,0,0]=4 4715 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,1,0,0,0,0|3,0,0]=4 4716 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,0,0,0,0|1,0,0]=2 4717 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,0,0,0,0|1,0,0]=2 4718 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,0,0,0,0|2,0,0]=3 4719 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,0,0,0,0|2,0,0]=3 4720 B12R0.234 CCCCCCOCCNC(C)C 34a_100000224655_100000210314 [0,1,0,0,0,0|2,0,1]=4 4721 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,0,0,0,0|0,0,0]=1 4722 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,0,0,0,0|0,0,0]=1 4723 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,0,0,0,0|1,0,0]=2 4724 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,0,0,0,0|1,0,0]=2 4725 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,0,0,0,0|1,0,0]=2 4726 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [0,1,0,0,0,0|1,0,1]=3 4727 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [0,1,0,0,0,0|1,0,1]=3 4728 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [0,1,0,0,0,0|1,0,1]=3 4729 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [0,1,0,0,0,0|1,0,1]=3 4730 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [0,1,0,0,0,0|1,0,1]=3 4731 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [0,1,0,0,0,0|1,0,1]=3 4732 B12R0.234 CCCCCCOCCSC(C)C 34a_100000210259_100000730970 [0,1,0,0,0,0|1,1,1]=4 4733 B12R0.234 CCCCCCOCCSC(C)C 34a_200011212901_100000210314 [0,1,0,0,0,0|1,1,1]=4 4734 B12R0.234 CCCCCCOCCSC(C)C 7a_100000210259_100000730970 [0,1,0,0,0,0|1,1,1]=4 4735 B12R0.234 CCCCCCOCCSC(C)C 7a_200011212901_100000210314 [0,1,0,0,0,0|1,1,1]=4 4736 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,1,0,0,0,0|2,0,0]=3 4737 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,1,0,0,0,0|2,0,0]=3 4738 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,1,0,0,0,0|3,0,0]=4 4739 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,1,0,0,0,0|3,0,0]=4 4740 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,0]=2 4741 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,0]=2 4742 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|2,0,0]=3 4743 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|2,0,0]=3 4744 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,1,0,0,0,0|2,0,1]=4 4745 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,1,0,0,0,0|2,0,1]=4 4746 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|1,0,2]=4 4747 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|1,0,2]=4 4748 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,1,0,0,0,0|3,0,0]=4 4749 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,0,0,0,0|1,0,0]=2 4750 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,0,0,0,0|1,0,0]=2 4751 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,0,0,0,0|2,0,0]=3 4752 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,0,0,0,0|2,0,0]=3 4753 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,0,0,0,0|0,0,0]=1 4754 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,0,0,0,0|0,0,0]=1 4755 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,0,0,0,0|1,0,0]=2 4756 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,0,0,0,0|1,0,0]=2 4757 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [0,1,0,0,0,0|1,0,1]=3 4758 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [0,1,0,0,0,0|1,0,1]=3 4759 B12R0.234 CCCCCCSCCSC(C)C 62a_100000210314_100000730970 [0,1,0,0,0,0|1,1,1]=4 4760 B12R0.234 CCCCCCSCCSC(C)C 62a_100000730970_100000210757 [0,1,0,0,0,0|1,1,1]=4 4761 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|2,0,0]=3 4762 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,1,0,0,0,0|2,0,1]=4 4763 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,0,0,0,0|1,0,0]=2 4764 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,1,0,0,0,0|0,1,0]=2 4765 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [0,1,0,0,0,0|1,0,1]=3 4766 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [0,1,0,0,0,0|1,0,1]=3 4767 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,0,0,0,0|0,1,0]=2 4768 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,0,0,0,0|2,0,0]=3 4769 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,0,0,0,0|2,0,0]=3 4770 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|2,0,0]=3 4771 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,0,0,0,0|2,0,0]=3 4772 B12R0.234 CCCCCNCCOCC(C)C 34a_100000224656_100000210624 [0,1,0,0,0,0|2,0,1]=4 4773 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,1,0,0,0,0|1,0,2]=4 4774 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,1,0,0,0,0|1,0,2]=4 4775 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,1,0,0,0,0|3,0,0]=4 4776 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,0]=2 4777 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,0]=2 4778 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|2,0,0]=3 4779 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|2,0,0]=3 4780 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,1,0,0,0,0|2,0,1]=4 4781 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,1,0,0,0,0|2,0,1]=4 4782 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,1,0,0,0,0|2,0,1]=4 4783 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,1,0,0,0,0|2,0,1]=4 4784 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,1,0,0,0,0|3,0,0]=4 4785 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,1,0,0,0,0|3,0,0]=4 4786 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,0,0,0,0|1,0,0]=2 4787 B12R0.234 CCCCCOCCCNC(C)C 34a_100000182298_100000718602 [0,1,0,0,0,0|2,0,1]=4 4788 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,0,0,0,0|0,0,0]=1 4789 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,0,0,0,0|0,0,0]=1 4790 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,1,0,0,0,0|0,1,0]=2 4791 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,1,0,0,0,0|0,1,0]=2 4792 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,0,0,0,0|0,1,0]=2 4793 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,0,0,0,0|0,1,0]=2 4794 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 4795 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 4796 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 4797 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 4798 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,0,0,0,0|2,0,0]=3 4799 B12R0.234 CCCCCOCCOCC(C)C 34a_100000703358_100000718602 [0,1,0,0,0,0|2,0,1]=4 4800 B12R0.234 CCCCCOCCOCC(C)C 34a_100011215259_100000210624 [0,1,0,0,0,0|2,0,1]=4 4801 B12R0.234 CCCCCOCCOCC(C)C 7a_100000703358_100000210326 [0,1,0,0,0,0|2,0,1]=4 4802 B12R0.234 CCCCCOCCOCC(C)C 7a_100011215259_100000210760 [0,1,0,0,0,0|2,0,1]=4 4803 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,1,0,0,0,0|1,0,2]=4 4804 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,1,0,0,0,0|1,0,2]=4 4805 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,1,0,0,0,0|1,0,2]=4 4806 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,1,0,0,0,0|1,0,2]=4 4807 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,1,0,0,0,0|3,0,0]=4 4808 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,0]=2 4809 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,0]=2 4810 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,1,0,0,0,0|2,0,1]=4 4811 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,1,0,0,0,0|2,0,1]=4 4812 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,1,0,0,0,0|3,0,0]=4 4813 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,0,0,0,0|0,0,0]=1 4814 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,0,0,0,0|0,0,0]=1 4815 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,1,0,0,0,0|0,1,0]=2 4816 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,1,0,0,0,0|0,1,0]=2 4817 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,0,0,0,0|0,1,0]=2 4818 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,0,0,0,0|0,1,0]=2 4819 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,0,0,0,0|2,0,0]=3 4820 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,0,0,0,0|2,0,0]=3 4821 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|2,0,0]=3 4822 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|2,0,0]=3 4823 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,1,0,0,0,0|2,0,1]=4 4824 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,1,0,0,0,0|2,0,1]=4 4825 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,1,0,0,0,0|2,0,1]=4 4826 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,1,0,0,0,0|2,0,1]=4 4827 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,1,0,0,0,0|1,0,0]=2 4828 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,1,0,0,0,0|1,0,0]=2 4829 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,1,0,0,0,0|0,0,0]=1 4830 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [0,1,0,0,0,0|1,0,1]=3 4831 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,1,0,0,0,0|2,0,0]=3 4832 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,1,0,0,0,0|0,1,0]=2 4833 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,1,0,0,0,0|0,1,0]=2 4834 B12R0.234 CCCCNCCCOCC(C)C 2230a_100000205972_100000210211 [0,1,0,0,0,0|2,0,1]=4 4835 B12R0.234 CCCCNCCCOCC(C)C 34a_100000205972_100000210210 [0,1,0,0,0,0|2,0,1]=4 4836 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|2,0,0]=3 4837 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|2,0,0]=3 4838 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|2,0,0]=3 4839 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|2,0,0]=3 4840 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|2,0,0]=3 4841 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,1,0,0,0,0|2,0,1]=4 4842 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,1,0,0,0,0|2,0,1]=4 4843 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,1,0,0,0,0|2,0,1]=4 4844 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,1,0,0,0,0|2,0,1]=4 4845 B12R0.234 CCCCOCCCCNC(C)C 34a_100011521146_100000210210 [0,1,0,0,0,0|2,0,1]=4 4846 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,1,0,0,0,0|0,0,0]=1 4847 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,1,0,0,0,0|0,0,0]=1 4848 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,1,0,0,0,0|0,0,0]=1 4849 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,1,0,0,0,0|0,0,0]=1 4850 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [0,1,0,0,0,0|1,0,1]=3 4851 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [0,1,0,0,0,0|1,0,1]=3 4852 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,1,0,0,0,0|2,0,0]=3 4853 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,1,0,0,0,0|2,0,0]=3 4854 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,1,0,0,0,0|0,1,0]=2 4855 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,1,0,0,0,0|0,1,0]=2 4856 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,1,0,0,0,0|3,0,0]=4 4857 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,1,0,0,0,0|3,0,0]=4 4858 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,1,0,0,0,0|3,0,0]=4 4859 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 4860 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 4861 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,1,0,0,0,0|2,0,0]=3 4862 B12R0.234 CCCCOCCCOCC(C)C 34a_200011215613_100000210624 [0,1,0,0,0,0|2,0,1]=4 4863 B12R0.234 CCCCOCCCOCC(C)C 7a_200011215613_100000210760 [0,1,0,0,0,0|2,0,1]=4 4864 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,1,0,0,0,0|1,0,2]=4 4865 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,1,0,0,0,0|1,0,2]=4 4866 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,1,0,0,0,0|1,0,2]=4 4867 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,1,0,0,0,0|1,0,2]=4 4868 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,1,0,0,0,0|3,0,0]=4 4869 B12R0.234 CCCCOCCNCC=C(C)C 34a_100000718196_100000743108 [0,1,0,0,0,0|3,0,0]=4 4870 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,0,0,0,0|3,0,0]=4 4871 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000210238_100000761012 [0,1,0,0,0,0|3,0,0]=4 4872 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000753907_100000743108 [0,1,0,0,0,0|3,0,0]=4 4873 B12R0.234 CCCCOCCOCC=C(C)C 7a_100000210238_100000761012 [0,1,0,0,0,0|3,0,0]=4 4874 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 4875 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,0,0,0,0|2,0,0]=3 4876 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 4877 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,0,0,0,0|3,0,0]=4 4878 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,0,0,0,0|3,0,0]=4 4879 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,0,0,0,0|3,0,0]=4 4880 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,0,0,0,0|3,0,0]=4 4881 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,1,0,0,0,0|1,0,0]=2 4882 B12R0.234 CCCCOCCOCOC(C)C 34a_100000210238_100000709892 [0,1,0,0,0,0|2,0,1]=4 4883 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000743108_100000761012 [0,1,0,0,0,0|3,0,0]=4 4884 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000761012_100000743108 [0,1,0,0,0,0|3,0,0]=4 4885 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,0,0,0,0|2,0,0]=3 4886 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,0,0,0,0|2,0,0]=3 4887 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,1,0,0,0,0|3,0,0]=4 4888 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,1,0,0,0,0|3,0,0]=4 4889 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,1,0,0,0,0|1,0,0]=2 4890 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,1,0,0,0,0|1,0,0]=2 4891 B12R0.234 CCCCOCCSCOC(C)C 62a_100000709892_100000743108 [0,1,0,0,0,0|2,0,1]=4 4892 B12R0.234 CCCCOCCSCOC(C)C 62a_100000743108_100000709892 [0,1,0,0,0,0|2,0,1]=4 4893 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,1,0,0,0,0|3,0,0]=4 4894 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,1,0,0,0,0|3,0,0]=4 4895 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,1,0,0,0,0|2,0,0]=3 4896 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,1,0,0,0,0|3,0,0]=4 4897 B12R0.234 CCCCOCNCCOC(C)C 2230a_100000701111_100011995733 [0,1,0,0,0,0|2,0,1]=4 4898 B12R0.234 CCCCOCNCCOC(C)C 34a_100000701111_100011995733 [0,1,0,0,0,0|2,0,1]=4 4899 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,1,0,0,0,0|2,0,0]=3 4900 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,1,0,0,0,0|2,0,0]=3 4901 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,1,0,0,0,0|3,0,0]=4 4902 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,1,0,0,0,0|1,0,0]=2 4903 B12R0.234 CCCCOCOCCOC(C)C 34a_100000211219_100011995733 [0,1,0,0,0,0|2,0,1]=4 4904 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011217483_100011995733 [0,1,0,0,0,0|3,0,0]=4 4905 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011995733_100011217483 [0,1,0,0,0,0|3,0,0]=4 4906 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,1,0,0,0,0|2,0,0]=3 4907 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,1,0,0,0,0|2,0,0]=3 4908 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,1,0,0,0,0|3,0,0]=4 4909 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,1,0,0,0,0|3,0,0]=4 4910 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,1,0,0,0,0|2,0,0]=3 4911 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,1,0,0,0,0|2,0,0]=3 4912 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,1,0,0,0,0|3,0,0]=4 4913 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,1,0,0,0,0|3,0,0]=4 4914 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,1,0,0,0,0|1,0,0]=2 4915 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,1,0,0,0,0|1,0,0]=2 4916 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,1,0,0,0,0|2,0,0]=3 4917 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,1,0,0,0,0|2,0,0]=3 4918 B12R0.234 CCCCOCSCCOC(C)C 62a_100000211751_100011995733 [0,1,0,0,0,0|2,0,1]=4 4919 B12R0.234 CCCCOCSCCOC(C)C 62a_100011995733_100000211751 [0,1,0,0,0,0|2,0,1]=4 4920 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|2,0,0]=3 4921 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|2,0,0]=3 4922 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,1,0,0,0,0|2,0,1]=4 4923 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,1,0,0,0,0|2,0,1]=4 4924 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,1,0,0,0,0|0,0,0]=1 4925 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,1,0,0,0,0|0,0,0]=1 4926 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,1,0,0,0,0|2,0,0]=3 4927 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,1,0,0,0,0|0,1,0]=2 4928 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,1,0,0,0,0|0,1,0]=2 4929 B12R0.234 CCCCSCCNCC=C(C)C 2230a_100025743550_100000761012 [0,1,0,0,0,0|3,0,0]=4 4930 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,1,0,0,0,0|3,0,0]=4 4931 B12R0.234 CCCCSCCNCOC(C)C 2230a_100025743550_100000709892 [0,1,0,0,0,0|2,0,1]=4 4932 B12R0.234 CCCCSCCOCC=C(C)C 34a_200000230436_100000761012 [0,1,0,0,0,0|3,0,0]=4 4933 B12R0.234 CCCCSCCOCC=C(C)C 7a_200000230436_100000761012 [0,1,0,0,0,0|3,0,0]=4 4934 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,0,0,0,0|2,0,0]=3 4935 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,1,0,0,0,0|3,0,0]=4 4936 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,1,0,0,0,0|3,0,0]=4 4937 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,1,0,0,0,0|1,0,0]=2 4938 B12R0.234 CCCCSCCOCOC(C)C 34a_200000230436_100000709892 [0,1,0,0,0,0|2,0,1]=4 4939 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,1,0,0,0,0|1,0,0]=2 4940 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,1,0,0,0,0|1,0,0]=2 4941 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 4942 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 4943 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,1,0,0,0,0|1,0,0]=2 4944 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,1,0,0,0,0|1,0,0]=2 4945 B12R0.234 CCCOCCCCCNC(C)C 34a_100011629493_100000210303 [0,1,0,0,0,0|2,0,1]=4 4946 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,1,0,0,0,0|0,0,0]=1 4947 B12R0.234 CCCOCCCNCC=C(C)C 2230a_100011217757_100000761012 [0,1,0,0,0,0|3,0,0]=4 4948 B12R0.234 CCCOCCCNCC=C(C)C 34a_100011217757_100000761012 [0,1,0,0,0,0|3,0,0]=4 4949 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,1,0,0,0,0|3,0,0]=4 4950 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,1,0,0,0,0|3,0,0]=4 4951 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,1,0,0,0,0|1,0,0]=2 4952 B12R0.234 CCCOCCCNCOC(C)C 2230a_100011217757_100000709892 [0,1,0,0,0,0|2,0,1]=4 4953 B12R0.234 CCCOCCCNCOC(C)C 34a_100011217757_100000709892 [0,1,0,0,0,0|2,0,1]=4 4954 B12R0.234 CCCOCCNCCC=C(C)C 2230a_100161115042_100011217483 [0,1,0,0,0,0|3,0,0]=4 4955 B12R0.234 CCCOCCNCCC=C(C)C 34a_100161115042_100011217483 [0,1,0,0,0,0|3,0,0]=4 4956 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,1,0,0,0,0|2,0,0]=3 4957 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,1,0,0,0,0|3,0,0]=4 4958 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,1,0,0,0,0|3,0,0]=4 4959 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,1,0,0,0,0|3,0,0]=4 4960 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,1,0,0,0,0|2,0,0]=3 4961 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,1,0,0,0,0|2,0,0]=3 4962 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,1,0,0,0,0|3,0,0]=4 4963 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,1,0,0,0,0|3,0,0]=4 4964 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,1,0,0,0,0|1,0,0]=2 4965 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,1,0,0,0,0|2,0,0]=3 4966 B12R0.234 CCCOCCNCCOC(C)C 2230a_100000701111_100011215938 [0,1,0,0,0,0|2,0,1]=4 4967 B12R0.234 CCCOCCNCCOC(C)C 2230a_100161115042_100000211751 [0,1,0,0,0,0|2,0,1]=4 4968 B12R0.234 CCCOCCNCCOC(C)C 34a_100000701111_100011215938 [0,1,0,0,0,0|2,0,1]=4 4969 B12R0.234 CCCOCCNCCOC(C)C 34a_100161115042_100000211751 [0,1,0,0,0,0|2,0,1]=4 4970 B12R0.234 CCCOCCOCCC=C(C)C 34a_100000752267_100011217483 [0,1,0,0,0,0|3,0,0]=4 4971 B12R0.234 CCCOCCOCCC=C(C)C 7a_100000752267_100011217483 [0,1,0,0,0,0|3,0,0]=4 4972 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,1,0,0,0,0|2,0,0]=3 4973 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,1,0,0,0,0|2,0,0]=3 4974 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,1,0,0,0,0|2,0,0]=3 4975 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,1,0,0,0,0|2,0,0]=3 4976 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,1,0,0,0,0|3,0,0]=4 4977 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,1,0,0,0,0|3,0,0]=4 4978 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,1,0,0,0,0|2,0,0]=3 4979 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,1,0,0,0,0|2,0,0]=3 4980 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,1,0,0,0,0|2,0,0]=3 4981 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,1,0,0,0,0|2,0,0]=3 4982 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,1,0,0,0,0|2,0,0]=3 4983 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,1,0,0,0,0|3,0,0]=4 4984 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,1,0,0,0,0|3,0,0]=4 4985 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,1,0,0,0,0|1,0,0]=2 4986 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,1,0,0,0,0|1,0,0]=2 4987 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,1,0,0,0,0|1,0,0]=2 4988 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,1,0,0,0,0|2,0,0]=3 4989 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,1,0,0,0,0|2,0,0]=3 4990 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,1,0,0,0,0|2,0,0]=3 4991 B12R0.234 CCCOCCOCCOC(C)C 34a_100000211219_100011215938 [0,1,0,0,0,0|2,0,1]=4 4992 B12R0.234 CCCOCCOCCOC(C)C 34a_100000752267_100000211751 [0,1,0,0,0,0|2,0,1]=4 4993 B12R0.234 CCCOCCOCCOC(C)C 7a_100000211219_100011215938 [0,1,0,0,0,0|2,0,1]=4 4994 B12R0.234 CCCOCCOCCOC(C)C 7a_100000752267_100000211751 [0,1,0,0,0,0|2,0,1]=4 4995 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011215938_100011217483 [0,1,0,0,0,0|3,0,0]=4 4996 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011217483_100011215938 [0,1,0,0,0,0|3,0,0]=4 4997 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,1,0,0,0,0|2,0,0]=3 4998 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,1,0,0,0,0|2,0,0]=3 4999 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,1,0,0,0,0|3,0,0]=4 5000 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,1,0,0,0,0|3,0,0]=4 5001 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,1,0,0,0,0|2,0,0]=3 5002 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,1,0,0,0,0|2,0,0]=3 5003 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,1,0,0,0,0|3,0,0]=4 5004 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,1,0,0,0,0|3,0,0]=4 5005 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,1,0,0,0,0|1,0,0]=2 5006 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,1,0,0,0,0|1,0,0]=2 5007 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,1,0,0,0,0|2,0,0]=3 5008 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,1,0,0,0,0|2,0,0]=3 5009 B12R0.234 CCCOCCSCCOC(C)C 62a_100000211751_100011215938 [0,1,0,0,0,0|2,0,1]=4 5010 B12R0.234 CCCOCCSCCOC(C)C 62a_100011215938_100000211751 [0,1,0,0,0,0|2,0,1]=4 5011 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,1,0,0,0,0|0,0,0]=1 5012 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,1,0,0,0,0|0,0,0]=1 5013 B12R0.234 CCCSCCNCCC=C(C)C 2230a_100020603323_100011217483 [0,1,0,0,0,0|3,0,0]=4 5014 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,1,0,0,0,0|2,0,0]=3 5015 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,1,0,0,0,0|3,0,0]=4 5016 B12R0.234 CCCSCCNCCOC(C)C 2230a_100020603323_100000211751 [0,1,0,0,0,0|2,0,1]=4 5017 B12R0.234 CCCSCCOCCC=C(C)C 34a_200000230433_100011217483 [0,1,0,0,0,0|3,0,0]=4 5018 B12R0.234 CCCSCCOCCC=C(C)C 7a_200000230433_100011217483 [0,1,0,0,0,0|3,0,0]=4 5019 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,1,0,0,0,0|2,0,0]=3 5020 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,1,0,0,0,0|2,0,0]=3 5021 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,1,0,0,0,0|3,0,0]=4 5022 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,1,0,0,0,0|3,0,0]=4 5023 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,1,0,0,0,0|2,0,0]=3 5024 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,1,0,0,0,0|3,0,0]=4 5025 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,1,0,0,0,0|1,0,0]=2 5026 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,1,0,0,0,0|1,0,0]=2 5027 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,1,0,0,0,0|1,0,0]=2 5028 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,1,0,0,0,0|1,0,0]=2 5029 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,1,0,0,0,0|2,0,0]=3 5030 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,1,0,0,0,0|2,0,0]=3 5031 B12R0.234 CCCSCCOCCOC(C)C 34a_200000230433_100000211751 [0,1,0,0,0,0|2,0,1]=4 5032 B12R0.234 CCCSCCOCCOC(C)C 7a_200000230433_100000211751 [0,1,0,0,0,0|2,0,1]=4 5033 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,1,0,0,0,0|1,0,0]=2 5034 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,1,0,0,0,0|1,0,0]=2 5035 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,0,0,0,0|3,0,0]=4 5036 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 5037 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 5038 B12R0.234 CCOCCCNCCC=C(C)C 2230a_100000210961_100011217483 [0,1,0,0,0,0|3,0,0]=4 5039 B12R0.234 CCOCCCNCCC=C(C)C 34a_100000210961_100011217483 [0,1,0,0,0,0|3,0,0]=4 5040 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,1,0,0,0,0|2,0,0]=3 5041 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,1,0,0,0,0|3,0,0]=4 5042 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,1,0,0,0,0|3,0,0]=4 5043 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,1,0,0,0,0|3,0,0]=4 5044 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,1,0,0,0,0|2,0,0]=3 5045 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,1,0,0,0,0|2,0,0]=3 5046 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,1,0,0,0,0|3,0,0]=4 5047 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,1,0,0,0,0|3,0,0]=4 5048 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,1,0,0,0,0|1,0,0]=2 5049 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,1,0,0,0,0|2,0,0]=3 5050 B12R0.234 CCOCCCNCCOC(C)C 2230a_100000210961_100000211751 [0,1,0,0,0,0|2,0,1]=4 5051 B12R0.234 CCOCCCNCCOC(C)C 2230a_100000701111_100012232248 [0,1,0,0,0,0|2,0,1]=4 5052 B12R0.234 CCOCCCNCCOC(C)C 34a_100000210961_100000211751 [0,1,0,0,0,0|2,0,1]=4 5053 B12R0.234 CCOCCCNCCOC(C)C 34a_100000701111_100012232248 [0,1,0,0,0,0|2,0,1]=4 5054 B12R0.234 CCOCCCOCCC=C(C)C 34a_100000757476_100011217483 [0,1,0,0,0,0|3,0,0]=4 5055 B12R0.234 CCOCCCOCCC=C(C)C 7a_100000757476_100011217483 [0,1,0,0,0,0|3,0,0]=4 5056 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,1,0,0,0,0|2,0,0]=3 5057 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,1,0,0,0,0|2,0,0]=3 5058 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,1,0,0,0,0|2,0,0]=3 5059 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,1,0,0,0,0|2,0,0]=3 5060 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,1,0,0,0,0|3,0,0]=4 5061 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,1,0,0,0,0|3,0,0]=4 5062 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,1,0,0,0,0|2,0,0]=3 5063 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,1,0,0,0,0|2,0,0]=3 5064 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,1,0,0,0,0|3,0,0]=4 5065 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,1,0,0,0,0|3,0,0]=4 5066 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,1,0,0,0,0|1,0,0]=2 5067 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,1,0,0,0,0|1,0,0]=2 5068 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,1,0,0,0,0|2,0,0]=3 5069 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,1,0,0,0,0|2,0,0]=3 5070 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,1,0,0,0,0|2,0,0]=3 5071 B12R0.234 CCOCCCOCCOC(C)C 34a_100000211219_100012232248 [0,1,0,0,0,0|2,0,1]=4 5072 B12R0.234 CCOCCCOCCOC(C)C 34a_100000757476_100000211751 [0,1,0,0,0,0|2,0,1]=4 5073 B12R0.234 CCOCCCOCCOC(C)C 7a_100000211219_100012232248 [0,1,0,0,0,0|2,0,1]=4 5074 B12R0.234 CCOCCCOCCOC(C)C 7a_100000757476_100000211751 [0,1,0,0,0,0|2,0,1]=4 5075 B12R0.234 CCOCCCSCCC=C(C)C 62a_100011217483_100012232248 [0,1,0,0,0,0|3,0,0]=4 5076 B12R0.234 CCOCCCSCCC=C(C)C 62a_100012232248_100011217483 [0,1,0,0,0,0|3,0,0]=4 5077 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,1,0,0,0,0|2,0,0]=3 5078 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,1,0,0,0,0|2,0,0]=3 5079 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,1,0,0,0,0|3,0,0]=4 5080 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,1,0,0,0,0|3,0,0]=4 5081 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,1,0,0,0,0|2,0,0]=3 5082 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,1,0,0,0,0|2,0,0]=3 5083 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,1,0,0,0,0|3,0,0]=4 5084 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,1,0,0,0,0|3,0,0]=4 5085 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,1,0,0,0,0|1,0,0]=2 5086 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,1,0,0,0,0|1,0,0]=2 5087 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,1,0,0,0,0|2,0,0]=3 5088 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,1,0,0,0,0|2,0,0]=3 5089 B12R0.234 CCOCCCSCCOC(C)C 62a_100000211751_100012232248 [0,1,0,0,0,0|2,0,1]=4 5090 B12R0.234 CCOCCCSCCOC(C)C 62a_100012232248_100000211751 [0,1,0,0,0,0|2,0,1]=4 5091 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,1,0,0,0,0|2,0,0]=3 5092 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,1,0,0,0,0|3,0,0]=4 5093 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,1,0,0,0,0|2,0,0]=3 5094 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,1,0,0,0,0|1,0,0]=2 5095 B12R0.234 CCOCCNCCCOC(=S)C 2230a_102516460346_200135323944 [0,1,0,0,0,0|1,1,0]=3 5096 B12R0.234 CCOCCNCCCOC(=S)C 34a_102516460346_200135323944 [0,1,0,0,0,0|1,1,0]=3 5097 B12R0.234 CCOCCNCCCOC(C)C 2230a_100000737246_100011215890 [0,1,0,0,0,0|2,0,1]=4 5098 B12R0.234 CCOCCNCCCOC(C)C 34a_100000737246_100000210147 [0,1,0,0,0,0|2,0,1]=4 5099 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,1,0,0,0,0|1,1,0]=3 5100 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,1,0,0,0,0|1,1,0]=3 5101 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 5102 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 5103 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,0,0,0,0|3,0,0]=4 5104 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,1,0,0,0,0|2,0,0]=3 5105 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,1,0,0,0,0|2,0,0]=3 5106 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,1,0,0,0,0|3,0,0]=4 5107 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,1,0,0,0,0|3,0,0]=4 5108 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,1,0,0,0,0|2,0,0]=3 5109 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,1,0,0,0,0|1,0,0]=2 5110 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,1,0,0,0,0|1,0,0]=2 5111 B12R0.234 CCOCCOCCCOC(=S)C 34a_100000210136_200135323944 [0,1,0,0,0,0|1,1,0]=3 5112 B12R0.234 CCOCCOCCCOC(=S)C 7a_100000210136_200135323944 [0,1,0,0,0,0|1,1,0]=3 5113 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,1,0,0,0,0|1,1,0]=3 5114 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,1,0,0,0,0|1,1,0]=3 5115 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,1,0,0,0,0|2,0,0]=3 5116 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 5117 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 5118 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 5119 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 5120 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,1,0,0,0,0|3,0,0]=4 5121 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,1,0,0,0,0|2,0,0]=3 5122 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,1,0,0,0,0|2,0,0]=3 5123 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,1,0,0,0,0|1,0,0]=2 5124 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,1,0,0,0,0|1,0,0]=2 5125 B12R0.234 CCOCCSCCCOC(=S)C 62a_100000210147_200135323944 [0,1,0,0,0,0|1,1,0]=3 5126 B12R0.234 CCOCCSCCCOC(=S)C 62a_200135323944_100011215890 [0,1,0,0,0,0|1,1,0]=3 5127 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,1,0,0,0,0|1,1,0]=3 5128 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,1,0,0,0,0|1,1,0]=3 5129 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,1,0,0,0,0|3,0,0]=4 5130 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,1,0,0,0,0|3,0,0]=4 5131 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,1,0,0,0,0|3,0,0]=4 5132 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,1,0,0,0,0|3,0,0]=4 5133 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,1,0,0,0,0|1,0,0]=2 5134 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,1,0,0,0,0|1,0,0]=2 5135 B12R0.234 CCOCSCCCCO[N+](=O)[O-] 62a_100000739092_100015694321 [0,1,0,0,0,0|3,0,0]=4 5136 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,1,0,0,0,0|1,1,0]=3 5137 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,1,0,0,0,0|1,1,0]=3 5138 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000076355_100000739092 [0,1,0,0,0,0|2,0,0]=3 5139 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000739092_100000076355 [0,1,0,0,0,0|2,0,0]=3 5140 B12R0.234 CCSCCCOCCC=C(C)C 34a_100011216438_100011217483 [0,1,0,0,0,0|3,0,0]=4 5141 B12R0.234 CCSCCCOCCC=C(C)C 7a_100011216438_100011217483 [0,1,0,0,0,0|3,0,0]=4 5142 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,1,0,0,0,0|2,0,0]=3 5143 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,1,0,0,0,0|2,0,0]=3 5144 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,1,0,0,0,0|3,0,0]=4 5145 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,1,0,0,0,0|3,0,0]=4 5146 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,1,0,0,0,0|2,0,0]=3 5147 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,1,0,0,0,0|3,0,0]=4 5148 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,1,0,0,0,0|1,0,0]=2 5149 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,1,0,0,0,0|1,0,0]=2 5150 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,1,0,0,0,0|2,0,0]=3 5151 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,1,0,0,0,0|2,0,0]=3 5152 B12R0.234 CCSCCCOCCOC(C)C 34a_100011216438_100000211751 [0,1,0,0,0,0|2,0,1]=4 5153 B12R0.234 CCSCCCOCCOC(C)C 7a_100011216438_100000211751 [0,1,0,0,0,0|2,0,1]=4 5154 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,1,0,0,0,0|3,0,0]=4 5155 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,1,0,0,0,0|2,0,0]=3 5156 B12R0.234 CCSCCNCCCOC(=S)C 2230a_100000106463_200135323944 [0,1,0,0,0,0|1,1,0]=3 5157 B12R0.234 CCSCCNCCCOC(C)C 2230a_100000737246_100000757381 [0,1,0,0,0,0|2,0,1]=4 5158 B12R0.234 CCSCCNCCCOC(C)C 34a_100000737246_100000757381 [0,1,0,0,0,0|2,0,1]=4 5159 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,1,0,0,0,0|1,1,0]=3 5160 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,1,0,0,0,0|3,0,0]=4 5161 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,0,0,0,0|3,0,0]=4 5162 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,1,0,0,0,0|2,0,0]=3 5163 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,1,0,0,0,0|2,0,0]=3 5164 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,1,0,0,0,0|3,0,0]=4 5165 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,1,0,0,0,0|3,0,0]=4 5166 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,1,0,0,0,0|2,0,0]=3 5167 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,1,0,0,0,0|1,0,0]=2 5168 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,1,0,0,0,0|1,0,0]=2 5169 B12R0.234 CCSCCOCCCOC(=S)C 34a_100000212035_200135323944 [0,1,0,0,0,0|1,1,0]=3 5170 B12R0.234 CCSCCOCCCOC(=S)C 7a_100000212035_200135323944 [0,1,0,0,0,0|1,1,0]=3 5171 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,1,0,0,0,0|1,1,0]=3 5172 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,1,0,0,0,0|1,1,0]=3 5173 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 5174 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 5175 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,1,0,0,0,0|2,0,0]=3 5176 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,1,0,0,0,0|2,0,0]=3 5177 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,1,0,0,0,0|1,0,0]=2 5178 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,1,0,0,0,0|1,0,0]=2 5179 B12R0.234 CCSCCSCCCOC(=S)C 62a_100000757381_200135323944 [0,1,0,0,0,0|1,1,0]=3 5180 B12R0.234 CCSCCSCCCOC(=S)C 62a_200135323944_100000757381 [0,1,0,0,0,0|1,1,0]=3 5181 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,1,0,0,0,0|1,1,0]=3 5182 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,1,0,0,0,0|1,1,0]=3 5183 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,1,0,0,0,0|3,0,0]=4 5184 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,1,0,0,0,0|3,0,0]=4 5185 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|3,0,0]=4 5186 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|3,0,0]=4 5187 B12R0.234 CNCCCCCOCC=C(C)C 34a_100000722520_100000761012 [0,1,0,0,0,0|3,0,0]=4 5188 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|3,0,0]=4 5189 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,1,0,0,0,0|1,0,0]=2 5190 B12R0.234 CNCCCCCOCOC(C)C 34a_100000722520_100000709892 [0,1,0,0,0,0|2,0,1]=4 5191 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,0,0,0,0|2,0,0]=3 5192 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,1,0,0,0,0|1,0,0]=2 5193 B12R0.234 CNCCCOCCCOC(=S)C 34a_100000213112_200135323944 [0,1,0,0,0,0|1,1,0]=3 5194 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,1,0,0,0,0|1,1,0]=3 5195 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,1,0,0,0,0|3,0,0]=4 5196 B12R0.234 CNCCOCCOCOC(=O)C 34a_100000228057_100009813279 [0,1,0,0,0,0|2,0,0]=3 5197 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|3,0,0]=4 5198 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|3,0,0]=4 5199 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|1,0,0]=2 5200 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 5201 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 5202 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|2,0,0]=3 5203 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,1,0,0,0,0|2,0,1]=4 5204 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,1,0,0,0,0|2,0,1]=4 5205 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,1,0,0,0,0|2,0,1]=4 5206 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,1,0,0,0,0|2,0,1]=4 5207 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,1,0,0,0,0|2,0,1]=4 5208 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|1,0,2]=4 5209 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|1,0,2]=4 5210 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,1,0,0,0,0|2,0,1]=4 5211 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,1,0,0,0,0|2,0,1]=4 5212 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|1,0,2]=4 5213 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|1,0,2]=4 5214 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,1,0,0,0,0|3,0,0]=4 5215 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,1,0]=4 5216 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,1,0]=4 5217 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|2,1,0]=4 5218 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|2,1,0]=4 5219 B12R0.234 COCCCCCNCC=C(C)C 2230a_100000747528_100000761012 [0,1,0,0,0,0|3,0,0]=4 5220 B12R0.234 COCCCCCNCC=C(C)C 34a_100000747528_100000761012 [0,1,0,0,0,0|3,0,0]=4 5221 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|3,0,0]=4 5222 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|3,0,0]=4 5223 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,1,0,0,0,0|1,0,0]=2 5224 B12R0.234 COCCCCCNCOC(C)C 2230a_100000747528_100000709892 [0,1,0,0,0,0|2,0,1]=4 5225 B12R0.234 COCCCCCNCOC(C)C 34a_100000747528_100000709892 [0,1,0,0,0,0|2,0,1]=4 5226 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|3,0,0]=4 5227 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,1,0,0,0,0|3,0,0]=4 5228 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,1,0,0,0,0|2,0,0]=3 5229 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,1,0,0,0,0|3,0,0]=4 5230 B12R0.234 COCCCCNCCOC(C)C 2230a_100000701111_100000730899 [0,1,0,0,0,0|2,0,1]=4 5231 B12R0.234 COCCCCNCCOC(C)C 34a_100000701111_100000755781 [0,1,0,0,0,0|2,0,1]=4 5232 B12R0.234 COCCCCOCCC=C(C)C 34a_100000740925_100011217483 [0,1,0,0,0,0|3,0,0]=4 5233 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|2,0,0]=3 5234 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|2,0,0]=3 5235 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|2,0,0]=3 5236 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|3,0,0]=4 5237 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,1,0,0,0,0|2,0,0]=3 5238 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,1,0,0,0,0|3,0,0]=4 5239 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,1,0,0,0,0|1,0,0]=2 5240 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,1,0,0,0,0|2,0,0]=3 5241 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,1,0,0,0,0|2,0,0]=3 5242 B12R0.234 COCCCCOCCOC(C)C 34a_100000211219_100000755781 [0,1,0,0,0,0|2,0,1]=4 5243 B12R0.234 COCCCCOCCOC(C)C 34a_100000740925_100000211751 [0,1,0,0,0,0|2,0,1]=4 5244 B12R0.234 COCCCCOCCOC(C)C 7a_100000211219_100000730899 [0,1,0,0,0,0|2,0,1]=4 5245 B12R0.234 COCCCCSCCC=C(C)C 62a_100000730899_100011217483 [0,1,0,0,0,0|3,0,0]=4 5246 B12R0.234 COCCCCSCCC=C(C)C 62a_100011217483_100000730899 [0,1,0,0,0,0|3,0,0]=4 5247 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|2,0,0]=3 5248 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|2,0,0]=3 5249 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|3,0,0]=4 5250 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|3,0,0]=4 5251 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,1,0,0,0,0|2,0,0]=3 5252 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,1,0,0,0,0|2,0,0]=3 5253 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,1,0,0,0,0|3,0,0]=4 5254 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,1,0,0,0,0|3,0,0]=4 5255 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,1,0,0,0,0|1,0,0]=2 5256 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,1,0,0,0,0|1,0,0]=2 5257 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,1,0,0,0,0|2,0,0]=3 5258 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,1,0,0,0,0|2,0,0]=3 5259 B12R0.234 COCCCCSCCOC(C)C 62a_100000211751_100000730899 [0,1,0,0,0,0|2,0,1]=4 5260 B12R0.234 COCCCCSCCOC(C)C 62a_100000730899_100000211751 [0,1,0,0,0,0|2,0,1]=4 5261 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,0,0,0,0|2,0,0]=3 5262 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,0,0,0,0|3,0,0]=4 5263 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,1,0,0,0,0|2,0,0]=3 5264 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,1,0,0,0,0|1,0,0]=2 5265 B12R0.234 COCCCNCCCOC(=S)C 34a_100150723488_200135323944 [0,1,0,0,0,0|1,1,0]=3 5266 B12R0.234 COCCCNCCCOC(C)C 2230a_100000737246_100000740836 [0,1,0,0,0,0|2,0,1]=4 5267 B12R0.234 COCCCNCCCOC(C)C 34a_100000737246_100000740836 [0,1,0,0,0,0|2,0,1]=4 5268 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,1,0,0,0,0|1,1,0]=3 5269 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,1,0,0,0,0|3,0,0]=4 5270 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|3,0,0]=4 5271 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,0,0,0,0|2,0,0]=3 5272 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,0,0,0,0|3,0,0]=4 5273 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,0,0,0,0|3,0,0]=4 5274 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,1,0,0,0,0|2,0,0]=3 5275 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,1,0,0,0,0|1,0,0]=2 5276 B12R0.234 COCCCOCCCOC(=S)C 34a_100000740835_200135323944 [0,1,0,0,0,0|1,1,0]=3 5277 B12R0.234 COCCCOCCCOC(C)C 34a_200011215475_100000210206 [0,1,0,0,0,0|2,0,1]=4 5278 B12R0.234 COCCCOCCCOC(C)C 7a_200011215475_100000210206 [0,1,0,0,0,0|2,0,1]=4 5279 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,1,0,0,0,0|1,1,0]=3 5280 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,1,0,0,0,0|3,0,0]=4 5281 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,0,0,0,0|2,0,0]=3 5282 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,0,0,0,0|2,0,0]=3 5283 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,1,0,0,0,0|1,0,0]=2 5284 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,1,0,0,0,0|1,0,0]=2 5285 B12R0.234 COCCCSCCCOC(=S)C 62a_100000709357_200135323944 [0,1,0,0,0,0|1,1,0]=3 5286 B12R0.234 COCCCSCCCOC(=S)C 62a_200135323944_100000709357 [0,1,0,0,0,0|1,1,0]=3 5287 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,1,0,0,0,0|1,1,0]=3 5288 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,1,0,0,0,0|1,1,0]=3 5289 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,1,0,0,0,0|3,0,0]=4 5290 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,1,0,0,0,0|3,0,0]=4 5291 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,0,0,0,0|3,0,0]=4 5292 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,1,0,0,0,0|2,0,0]=3 5293 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,1,0,0,0,0|2,0,0]=3 5294 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,1,0,0,0,0|1,1,0]=3 5295 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|3,0,0]=4 5296 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|3,0,0]=4 5297 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|3,0,0]=4 5298 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|3,0,0]=4 5299 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,1,0,0,0,0|1,0,0]=2 5300 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,1,0,0,0,0|1,0,0]=2 5301 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,1,0,0,0,0|1,0,0]=2 5302 B12R0.234 COCCOCCCCO[N+](=O)[O-] 34a_100000210237_100015694321 [0,1,0,0,0,0|3,0,0]=4 5303 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,1,0,0,0,0|1,1,0]=3 5304 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,1,0,0,0,0|2,0,0]=3 5305 B12R0.234 COCCOCCNCOC(=O)C 34a_100000745349_100009813279 [0,1,0,0,0,0|2,0,0]=3 5306 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,1,0,0,0,0|3,0,0]=4 5307 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,1,0,0,0,0|3,0,0]=4 5308 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,1,0,0,0,0|3,0,0]=4 5309 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,1,0,0,0,0|3,0,0]=4 5310 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,1,0,0,0,0|3,0,0]=4 5311 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,1,0,0,0,0|3,0,0]=4 5312 B12R0.234 COCCOCCOCOC(=O)C 34a_100011215163_100009813279 [0,1,0,0,0,0|2,0,0]=3 5313 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,1,0,0,0,0|3,0,0]=4 5314 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,1,0,0,0,0|3,0,0]=4 5315 B12R0.234 COCCOCCSCOC(=O)C 62a_100000076356_100000695917 [0,1,0,0,0,0|2,0,0]=3 5316 B12R0.234 COCCOCCSCOC(=O)C 62a_100000695917_100000076356 [0,1,0,0,0,0|2,0,0]=3 5317 B12R0.234 COCCOCNCCNC(=O)C 2230a_100000209853_100000231047 [0,1,0,0,0,0|3,0,0]=4 5318 B12R0.234 COCCOCOCCOC(=O)C 34a_100000210237_100000076355 [0,1,0,0,0,0|2,0,0]=3 5319 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,1,0,0,0,0|3,0,0]=4 5320 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,1,0,0,0,0|3,0,0]=4 5321 B12R0.234 COCCOCSCCNC(=O)C 62a_100000189650_100000231047 [0,1,0,0,0,0|3,0,0]=4 5322 B12R0.234 COCCOCSCCNC(=O)C 62a_100000231047_100000189650 [0,1,0,0,0,0|3,0,0]=4 5323 B12R0.234 COCCOCSCCOC(=O)C 62a_100000231047_100009814007 [0,1,0,0,0,0|2,0,0]=3 5324 B12R0.234 COCCOCSCCOC(=O)C 62a_100009814007_100000231047 [0,1,0,0,0,0|2,0,0]=3 5325 B12R0.234 COCCOCSCCOC(=O)N 62a_100000231047_200011214921 [0,1,0,0,0,0|3,0,0]=4 5326 B12R0.234 COCCOCSCCOC(=O)N 62a_200011214921_100000231047 [0,1,0,0,0,0|3,0,0]=4 5327 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,0,0,0,0|3,0,0]=4 5328 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,0,0,0,0|3,0,0]=4 5329 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,1,0,0,0,0|1,0,0]=2 5330 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,1,0,0,0,0|1,0,0]=2 5331 B12R0.234 COCCSCCCCO[N+](=O)[O-] 62a_100000233755_100015694321 [0,1,0,0,0,0|3,0,0]=4 5332 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,1,0,0,0,0|1,1,0]=3 5333 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,1,0,0,0,0|1,1,0]=3 5334 B12R0.234 COCCSCOCCOC(=O)C 62a_100000076355_100000233755 [0,1,0,0,0,0|2,0,0]=3 5335 B12R0.234 COCCSCOCCOC(=O)C 62a_100000233755_100000076355 [0,1,0,0,0,0|2,0,0]=3 5336 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,1,0,0,0,0|2,0,0]=3 5337 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,1,0,0,0,0|1,0,0]=2 5338 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,1,0,0,0,0|1,0,0]=2 5339 B12R0.234 COCSCCOCCOC(=O)C 62a_100000766300_200000083610 [0,1,0,0,0,0|2,0,0]=3 5340 B12R0.234 COCSCCOCCOC(=O)C 62a_200000083610_100000766300 [0,1,0,0,0,0|2,0,0]=3 5341 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,1,0,0,0,0|3,0,0]=4 5342 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,1,0,0,0,0|3,0,0]=4 5343 B12R0.234 CSCCCCOCCC=C(C)C 34a_100011217163_100011217483 [0,1,0,0,0,0|3,0,0]=4 5344 B12R0.234 CSCCCCOCCC=C(C)C 7a_100011217163_100011217483 [0,1,0,0,0,0|3,0,0]=4 5345 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|2,0,0]=3 5346 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|2,0,0]=3 5347 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|3,0,0]=4 5348 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|3,0,0]=4 5349 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,1,0,0,0,0|2,0,0]=3 5350 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,1,0,0,0,0|3,0,0]=4 5351 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,1,0,0,0,0|1,0,0]=2 5352 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,1,0,0,0,0|1,0,0]=2 5353 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,1,0,0,0,0|2,0,0]=3 5354 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,1,0,0,0,0|2,0,0]=3 5355 B12R0.234 CSCCCCOCCOC(C)C 34a_100011217163_100000211751 [0,1,0,0,0,0|2,0,1]=4 5356 B12R0.234 CSCCCCOCCOC(C)C 7a_100011217163_100000211751 [0,1,0,0,0,0|2,0,1]=4 5357 B12R0.234 CSCCCNCCCOC(=S)C 2230a_100000749238_200135323944 [0,1,0,0,0,0|1,1,0]=3 5358 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,1,0,0,0,0|1,1,0]=3 5359 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,1,0,0,0,0|3,0,0]=4 5360 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,0,0,0,0|2,0,0]=3 5361 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,0,0,0,0|2,0,0]=3 5362 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,1,0,0,0,0|1,0,0]=2 5363 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,1,0,0,0,0|1,0,0]=2 5364 B12R0.234 CSCCCOCCCOC(=S)C 34a_100000690336_200135323944 [0,1,0,0,0,0|1,1,0]=3 5365 B12R0.234 CSCCCOCCCOC(=S)C 7a_100000690336_200135323944 [0,1,0,0,0,0|1,1,0]=3 5366 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,1,0,0,0,0|1,1,0]=3 5367 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,1,0,0,0,0|1,1,0]=3 5368 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 5369 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 5370 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,0,0,0,0|3,0,0]=4 5371 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,1,0,0,0,0|2,0,0]=3 5372 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,1,0,0,0,0|2,0,0]=3 5373 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,1,0,0,0,0|1,1,0]=3 5374 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,0,0,0,0|3,0,0]=4 5375 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,0,0,0,0|3,0,0]=4 5376 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,0,0,0,0|3,0,0]=4 5377 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,0,0,0,0|3,0,0]=4 5378 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,0,0,0,0|3,0,0]=4 5379 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,1,0,0,0,0|1,0,0]=2 5380 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,1,0,0,0,0|1,0,0]=2 5381 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,1,0,0,0,0|1,0,0]=2 5382 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,1,0,0,0,0|1,0,0]=2 5383 B12R0.234 CSCCOCCCCO[N+](=O)[O-] 34a_100000230434_100015694321 [0,1,0,0,0,0|3,0,0]=4 5384 B12R0.234 CSCCOCCCCO[N+](=O)[O-] 7a_100000230434_100015694321 [0,1,0,0,0,0|3,0,0]=4 5385 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,1,0,0,0,0|1,1,0]=3 5386 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,1,0,0,0,0|1,1,0]=3 5387 B12R0.234 CSCCOCOCCOC(=O)C 34a_100000230434_100000076355 [0,1,0,0,0,0|2,0,0]=3 5388 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,0,0,0,0|3,0,0]=4 5389 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,0,0,0,0|3,0,0]=4 5390 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,1,0,0,0,0|1,0,0]=2 5391 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,1,0,0,0,0|1,0,0]=2 5392 B12R0.234 CSCCSCCCCO[N+](=O)[O-] 62a_100000212216_100015694321 [0,1,0,0,0,0|3,0,0]=4 5393 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,1,0,0,0,0|1,1,0]=3 5394 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,1,0,0,0,0|1,1,0]=3 5395 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000076355_100000751147 [0,1,0,0,0,0|2,0,0]=3 5396 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000212216_100000076355 [0,1,0,0,0,0|2,0,0]=3 5397 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,1,0,0,0,0|2,0,0]=3 5398 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,1,0,0,0,0|2,0,0]=3 5399 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,1,0,0,0,0|1,0,0]=2 5400 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,1,0,0,0,0|1,0,0]=2 5401 B12R0.234 CSCSCCOCCOC(=O)C 62a_100011218213_200000083610 [0,1,0,0,0,0|2,0,0]=3 5402 B12R0.234 CSCSCCOCCOC(=O)C 62a_200000083610_100011218213 [0,1,0,0,0,0|2,0,0]=3 5403 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,1,0,0,0,0|2,0,1]=4 5404 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,1,0,0,0,0|2,0,1]=4 5405 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 5406 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 5407 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 5408 B12R0.234 N#CCCCCOCCOC(=O)N 7a_100000766696_100000211819 [0,1,0,0,0,0|2,0,1]=4 5409 B12R0.234 N#CCCCCSCCOC(=O)N 62a_100011219923_200011214921 [0,1,0,0,0,0|2,0,1]=4 5410 B12R0.234 N#CCCCCSCCOC(=O)N 62a_200011214921_100000211819 [0,1,0,0,0,0|2,0,1]=4 5411 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|3,0,0]=4 5412 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|3,0,0]=4 5413 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|3,0,0]=4 5414 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|3,0,0]=4 5415 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|3,0,0]=4 5416 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|3,0,0]=4 5417 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|3,0,0]=4 5418 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|3,0,0]=4 5419 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|3,0,0]=4 5420 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|3,0,0]=4 5421 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|3,0,0]=4 5422 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|3,0,0]=4 5423 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|3,0,0]=4 5424 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|3,0,0]=4 5425 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|3,0,0]=4 5426 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|3,0,0]=4 5427 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|3,0,0]=4 5428 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|3,0,0]=4 5429 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|3,0,0]=4 5430 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|3,0,0]=4 5431 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|3,0,0]=4 5432 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|3,0,0]=4 5433 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|3,0,0]=4 5434 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|3,0,0]=4 5435 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|3,0,0]=4 5436 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|3,0,0]=4 5437 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|3,0,0]=4 5438 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|3,0,0]=4 5439 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|3,0,0]=4 5440 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|3,0,0]=4 5441 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|3,0,0]=4 5442 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|3,0,0]=4 5443 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|3,0,0]=4 5444 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|3,0,0]=4 5445 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|3,0,0]=4 5446 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|3,0,0]=4 5447 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|3,0,0]=4 5448 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|3,0,0]=4 5449 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|3,0,0]=4 5450 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|3,0,0]=4 5451 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|3,0,0]=4 5452 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|3,0,0]=4 5453 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|3,0,0]=4 5454 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|3,0,0]=4 5455 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|3,0,0]=4 5456 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|3,0,0]=4 5457 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|3,0,0]=4 5458 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|3,0,0]=4 5459 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|3,0,0]=4 5460 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|3,0,0]=4 5461 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|3,0,0]=4 5462 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 5463 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 5464 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 5465 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 5466 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,1,0,0,0,0|3,0,0]=4 5467 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 5468 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 5469 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 5470 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 5471 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,1,0,0,0,0|3,0,0]=4 5472 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,1,0,0,0,0|3,0,0]=4 5473 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,1,0,0,0,0|3,0,0]=4 5474 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,1,0,0,0,0|3,0,0]=4 5475 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 5476 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,1,0]=4 5477 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,1,0]=4 5478 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,1,0,0,0,0|3,0,0]=4 5479 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,1,0,0,0,0|3,0,0]=4 5480 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,1,0,0,0,0|3,0,0]=4 5481 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,1,0,0,0,0|3,0,0]=4 5482 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 5483 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,1,0,0,0,0|3,0,0]=4 5484 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,1,0,0,0,0|3,0,0]=4 5485 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,1,0,0,0,0|3,0,0]=4 5486 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,1,0,0,0,0|3,0,0]=4 5487 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,1,0,0,0,0|3,0,0]=4 5488 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 5489 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,1,0,0,0,0|3,0,0]=4 5490 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,1,0,0,0,0|2,0,0]=3 5491 B12R0.234 NC(=O)OCCNCCOCCO 34a_100000211614_200011214921 [0,1,0,0,0,0|3,0,0]=4 5492 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [0,1,0,0,0,0|2,0,1]=4 5493 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,1,0,0,0,0|2,0,0]=3 5494 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,1,0,0,0,0|2,0,0]=3 5495 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,1,0,0,0,0|2,0,0]=3 5496 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,1,0,0,0,0|2,0,0]=3 5497 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,1,0,0,0,0|2,0,0]=3 5498 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,1,0,0,0,0|2,0,0]=3 5499 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,1,0,0,0,0|2,0,0]=3 5500 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,1,0,0,0,0|2,0,0]=3 5501 B12R0.234 NC(=O)OCCOCCOCCBr 34a_100000692535_200011214921 [0,1,0,0,0,0|3,0,0]=4 5502 B12R0.234 NC(=O)OCCOCCOCCBr 7a_100000692535_200011214921 [0,1,0,0,0,0|3,0,0]=4 5503 B12R0.234 NC(=O)OCCOCCOCCCl 34a_100011215305_200011214921 [0,1,0,0,0,0|3,0,0]=4 5504 B12R0.234 NC(=O)OCCOCCOCCCl 7a_100011215305_200011214921 [0,1,0,0,0,0|3,0,0]=4 5505 B12R0.234 NC(=O)OCCOCCOCCF 34a_200015357709_200011214921 [0,1,0,0,0,0|3,0,0]=4 5506 B12R0.234 NC(=O)OCCOCCOCCF 7a_200015357709_200011214921 [0,1,0,0,0,0|3,0,0]=4 5507 B12R0.234 NC(=O)OCCOCCOCCI 34a_100012149058_200011214921 [0,1,0,0,0,0|3,0,0]=4 5508 B12R0.234 NC(=O)OCCOCCOCCI 7a_100012149058_200011214921 [0,1,0,0,0,0|3,0,0]=4 5509 B12R0.234 NC(=O)OCCOCCOCCO 7a_100000766696_100011215305 [0,1,0,0,0,0|3,0,0]=4 5510 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [0,1,0,0,0,0|2,0,1]=4 5511 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [0,1,0,0,0,0|2,0,1]=4 5512 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,1,0,0,0,0|2,0,0]=3 5513 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,1,0,0,0,0|2,0,0]=3 5514 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,1,0,0,0,0|2,0,0]=3 5515 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,1,0,0,0,0|2,0,0]=3 5516 B12R0.234 NC(=O)OCCSCCOCCO 62a_100011215305_200011214921 [0,1,0,0,0,0|3,0,0]=4 5517 B12R0.234 NC(=O)OCCSCCOCCO 62a_200011214921_100011215305 [0,1,0,0,0,0|3,0,0]=4 5518 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 5519 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,0]=3 5520 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 5521 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|3,0,0]=4 5522 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|3,0,0]=4 5523 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,1,0,0,0,0|2,0,0]=3 5524 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 5525 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|3,0,0]=4 5526 B12R0.234 NCCCOCCCCO[N+](=O)[O-] 34a_100000182051_100015694321 [0,1,0,0,0,0|3,0,0]=4 5527 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 5528 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,1,0,0,0,0|3,0,0]=4 5529 B12R0.234 NCCOCCOCCOC(=O)N 34a_100000211614_200011214921 [0,1,0,0,0,0|3,0,0]=4 5530 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|3,0,0]=4 5531 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|3,0,0]=4 5532 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|3,0,0]=4 5533 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|3,0,0]=4 5534 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|3,0,0]=4 5535 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|3,0,0]=4 5536 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|3,0,0]=4 5537 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|3,0,0]=4 5538 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|2,0,0]=3 5539 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|2,1,0]=4 5540 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|2,1,0]=4 5541 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 5542 B12R0.234 O=[N+]([O-])OCCCCNCCCF 34a_100015189416_100015694321 [0,1,0,0,0,0|3,0,0]=4 5543 B12R0.234 O=[N+]([O-])OCCCCOCCCBr 34a_100011217188_100015694321 [0,1,0,0,0,0|3,0,0]=4 5544 B12R0.234 O=[N+]([O-])OCCCCOCCCCl 34a_100000230001_100015694321 [0,1,0,0,0,0|3,0,0]=4 5545 B12R0.234 O=[N+]([O-])OCCCCOCCCF 34a_100000759539_100015694321 [0,1,0,0,0,0|3,0,0]=4 5546 B12R0.234 O=[N+]([O-])OCCCCSCCCF 62a_100011934791_100015694321 [0,1,0,0,0,0|3,0,0]=4 5547 B12R0.234 O=[N+]([O-])OCCCCSCCCO 62a_100011215043_100015694321 [0,1,0,0,0,0|3,0,0]=4 5548 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,0]=2 5549 B12R0.248 C#C/C(=C\COCCCCCC)/C 34a_100016990848_100000210314 [0,1,0,0,0,0|3,0,0]=4 5550 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,1]=3 5551 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|2,0,1]=4 5552 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 5553 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,1,0,0,0,0|2,0,1]=4 5554 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 5555 B12R0.248 C#CC(C)OCCCCCCCBr 34a_100000760002_200000035995 [0,1,0,0,0,0|2,0,1]=4 5556 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,1,0,0,0,0|1,0,1]=3 5557 B12R0.248 C#CC(C)OCCCCCCCN 34a_100011996573_200000035995 [0,1,0,0,0,0|2,0,1]=4 5558 B12R0.248 C#CC(C)OCCCCCCOC 34a_200012092642_200000035995 [0,1,0,0,0,0|2,0,1]=4 5559 B12R0.248 C#CC(C)OCCCOCCCC 34a_200011215613_200000035995 [0,1,0,0,0,0|2,0,1]=4 5560 B12R0.248 C#CC(C)OCCNCCCCC 34a_100000224656_200000035995 [0,1,0,0,0,0|2,0,1]=4 5561 B12R0.248 C#CC(C)OCCOCCCCC 34a_100011215259_200000035995 [0,1,0,0,0,0|2,0,1]=4 5562 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,1,0,0,0,0|1,1,1]=4 5563 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|1,0,2]=4 5564 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|1,0,2]=4 5565 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,1,0,0,0,0|1,0,2]=4 5566 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|1,0,2]=4 5567 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,1,0,0,0,0|1,0,2]=4 5568 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 5569 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 5570 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,1,0,0,0,0|1,0,2]=4 5571 B12R0.248 C#CCCCCSCOC(=O)OC 62a_100010269958_100000139417 [0,1,0,0,0,0|1,0,2]=4 5572 B12R0.248 C#CCCCNCCOC(=O)NC 34a_100000718082_200011997002 [0,1,0,0,0,0|1,0,2]=4 5573 B12R0.248 C#CCCCOCCOC(=O)CC 7a_200000031056_100011215417 [0,1,0,0,0,0|1,0,2]=4 5574 B12R0.248 C#CCCCOCCOC(=O)NC 34a_100000215630_200011997002 [0,1,0,0,0,0|1,0,2]=4 5575 B12R0.248 C#CCCCOCCOC(=O)NC 7a_100000215630_200011997002 [0,1,0,0,0,0|1,0,2]=4 5576 B12R0.248 C#CCCCOCCOC(=O)OC 34a_100010262106_100000695029 [0,1,0,0,0,0|1,0,2]=4 5577 B12R0.248 C#CCCCSCCOC(=O)NC 62a_100011215417_200011997002 [0,1,0,0,0,0|1,0,2]=4 5578 B12R0.248 C#CCCCSCCOC(=O)NC 62a_200011997002_100011215417 [0,1,0,0,0,0|1,0,2]=4 5579 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,1,0,0,0,0|1,0,1]=3 5580 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,1,0,0,0,0|1,0,1]=3 5581 B12R0.248 C#C[C@@H](C)OCCCCCCCO 34a_100009815206_100000760002 [0,1,0,0,0,0|2,0,1]=4 5582 B12R0.248 C#C[C@@H](C)OCCCCCCCO 7a_100009815206_100000760002 [0,1,0,0,0,0|2,0,1]=4 5583 B12R0.248 C#C[C@@H](C)OCCCCCCOC 34a_100009815206_100011998445 [0,1,0,0,0,0|2,0,1]=4 5584 B12R0.248 C#C[C@@H](C)OCCCCCCOC 7a_100009815206_100011998445 [0,1,0,0,0,0|2,0,1]=4 5585 B12R0.248 C/C=C/CCOCCOC(=O)NC 34a_100016278192_200011997002 [0,1,0,0,0,0|1,0,2]=4 5586 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,1]=3 5587 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|2,0,1]=4 5588 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|1,0,1]=3 5589 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|1,0,1]=3 5590 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,1,0,0,0,0|2,0,1]=4 5591 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,1,0,0,0,0|2,0,1]=4 5592 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,1,0,0,0,0|2,0,1]=4 5593 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,1,0,0,0,0|2,0,1]=4 5594 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,1,0,0,0,0|2,0,1]=4 5595 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,1,0,0,0,0|2,0,1]=4 5596 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,1,0,0,0,0|1,0,1]=3 5597 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,1,0,0,0,0|1,0,1]=3 5598 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,1,0,0,0,0|1,0,1]=3 5599 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,1,0,0,0,0|1,0,1]=3 5600 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,1,0,0,0,0|1,0,1]=3 5601 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,1,0,0,0,0|1,0,1]=3 5602 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,1,0,0,0,0|1,0,1]=3 5603 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,1,0,0,0,0|1,0,1]=3 5604 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,1,0,0,0,0|1,0,1]=3 5605 B12R0.248 C=CC(=O)OCCCCCOCF 7a_200011023508_100015361967 [0,1,0,0,0,0|2,0,1]=4 5606 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,1,0,0,0,0|1,0,1]=3 5607 B12R0.248 C=CC(=O)OCCNCCCCO 2230a_100000750430_100009813456 [0,1,0,0,0,0|2,0,1]=4 5608 B12R0.248 C=CC(=O)OCCNCCCCO 34a_100000750430_100009813456 [0,1,0,0,0,0|2,0,1]=4 5609 B12R0.248 C=CC(=O)OCCNCCCOC 34a_100150723488_100009813456 [0,1,0,0,0,0|2,0,1]=4 5610 B12R0.248 C=CC(=O)OCCNCCCSC 2230a_100000749238_100009813456 [0,1,0,0,0,0|2,0,1]=4 5611 B12R0.248 C=CC(=O)OCCNCCOCC 2230a_102516460346_100009813456 [0,1,0,0,0,0|2,0,1]=4 5612 B12R0.248 C=CC(=O)OCCNCCOCC 34a_102516460346_100009813456 [0,1,0,0,0,0|2,0,1]=4 5613 B12R0.248 C=CC(=O)OCCNCCSCC 2230a_100000106463_100009813456 [0,1,0,0,0,0|2,0,1]=4 5614 B12R0.248 C=CC(=O)OCCOCCCCBr 34a_100011216708_100009813456 [0,1,0,0,0,0|2,0,1]=4 5615 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,1,0,0,0,0|1,0,1]=3 5616 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,1,0,0,0,0|1,0,1]=3 5617 B12R0.248 C=CC(=O)OCCOCCCCCl 34a_100000210776_100009813456 [0,1,0,0,0,0|2,0,1]=4 5618 B12R0.248 C=CC(=O)OCCOCCCCCl 7a_100000210776_100009813456 [0,1,0,0,0,0|2,0,1]=4 5619 B12R0.248 C=CC(=O)OCCOCCCCF 34a_100011995726_100009813456 [0,1,0,0,0,0|2,0,1]=4 5620 B12R0.248 C=CC(=O)OCCOCCCCF 7a_100011995726_100009813456 [0,1,0,0,0,0|2,0,1]=4 5621 B12R0.248 C=CC(=O)OCCOCCCCI 34a_200012148704_100009813456 [0,1,0,0,0,0|2,0,1]=4 5622 B12R0.248 C=CC(=O)OCCOCCCCN 34a_100000750430_100009813456 [0,1,0,0,0,0|2,0,1]=4 5623 B12R0.248 C=CC(=O)OCCOCCCNC 34a_100000213112_100009813456 [0,1,0,0,0,0|2,0,1]=4 5624 B12R0.248 C=CC(=O)OCCOCCCOC 34a_100000740835_100009813456 [0,1,0,0,0,0|2,0,1]=4 5625 B12R0.248 C=CC(=O)OCCOCCCSC 34a_100000690336_100009813456 [0,1,0,0,0,0|2,0,1]=4 5626 B12R0.248 C=CC(=O)OCCOCCCSC 7a_100000690336_100009813456 [0,1,0,0,0,0|2,0,1]=4 5627 B12R0.248 C=CC(=O)OCCOCCOCC 34a_100000210136_100009813456 [0,1,0,0,0,0|2,0,1]=4 5628 B12R0.248 C=CC(=O)OCCOCCOCC 7a_100000210136_100009813456 [0,1,0,0,0,0|2,0,1]=4 5629 B12R0.248 C=CC(=O)OCCOCCSCC 34a_100000212035_100009813456 [0,1,0,0,0,0|2,0,1]=4 5630 B12R0.248 C=CC(=O)OCCOCCSCC 7a_100000212035_100009813456 [0,1,0,0,0,0|2,0,1]=4 5631 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,1,0,0,0,0|1,0,1]=3 5632 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,1,0,0,0,0|1,0,1]=3 5633 B12R0.248 C=CC(=O)OCCSCCCCF 62a_100000729493_100009813456 [0,1,0,0,0,0|2,0,1]=4 5634 B12R0.248 C=CC(=O)OCCSCCCCF 62a_100009813456_100000729493 [0,1,0,0,0,0|2,0,1]=4 5635 B12R0.248 C=CC(=O)OCCSCCCCO 62a_100000210776_100009813456 [0,1,0,0,0,0|2,0,1]=4 5636 B12R0.248 C=CC(=O)OCCSCCCCO 62a_100009813456_100000210776 [0,1,0,0,0,0|2,0,1]=4 5637 B12R0.248 C=CC(=O)OCCSCCCOC 62a_100000709357_100009813456 [0,1,0,0,0,0|2,0,1]=4 5638 B12R0.248 C=CC(=O)OCCSCCCOC 62a_100009813456_100000709357 [0,1,0,0,0,0|2,0,1]=4 5639 B12R0.248 C=CC(=O)OCCSCCOCC 62a_100000210147_100009813456 [0,1,0,0,0,0|2,0,1]=4 5640 B12R0.248 C=CC(=O)OCCSCCOCC 62a_100009813456_100011215890 [0,1,0,0,0,0|2,0,1]=4 5641 B12R0.248 C=CC(=O)OCCSCCSCC 62a_100000757381_100009813456 [0,1,0,0,0,0|2,0,1]=4 5642 B12R0.248 C=CC(=O)OCCSCCSCC 62a_100009813456_100000757381 [0,1,0,0,0,0|2,0,1]=4 5643 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,0,0,0,0|1,0,1]=3 5644 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,1,0,0,0,0|2,0,1]=4 5645 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,1,0,0,0,0|2,0,1]=4 5646 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,1,0,0,0,0|1,1,1]=4 5647 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,2]=4 5648 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,2]=4 5649 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|1,0,2]=4 5650 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|1,0,2]=4 5651 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|1,0,2]=4 5652 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|1,0,2]=4 5653 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|1,0,2]=4 5654 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|1,0,2]=4 5655 B12R0.248 C=CCCCCSCOC(=O)OC 62a_100011215482_100000139417 [0,1,0,0,0,0|1,0,2]=4 5656 B12R0.248 C=CCCCNCCOC(=O)NC 34a_100000700776_200011997002 [0,1,0,0,0,0|1,0,2]=4 5657 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [0,1,0,0,0,0|1,0,2]=4 5658 B12R0.248 C=CCCCOCCOC(=O)NC 34a_100000758997_200011997002 [0,1,0,0,0,0|1,0,2]=4 5659 B12R0.248 C=CCCCOCCOC(=O)NC 7a_100000758997_200011997002 [0,1,0,0,0,0|1,0,2]=4 5660 B12R0.248 C=CCCCOCCOC(=O)OC 34a_100010262106_100000757094 [0,1,0,0,0,0|1,0,2]=4 5661 B12R0.248 C=CCCCSCCOC(=O)NC 62a_100011713584_200011997002 [0,1,0,0,0,0|1,0,2]=4 5662 B12R0.248 C=CCCCSCCOC(=O)NC 62a_200011997002_100000757094 [0,1,0,0,0,0|1,0,2]=4 5663 B12R0.248 CC#CCCOCCOC(=O)NC 34a_100000750427_200011997002 [0,1,0,0,0,0|1,0,2]=4 5664 B12R0.248 CC(C#N)OCCCCCCCBr 7a_100000760002_100000703298 [0,1,0,0,0,0|2,0,1]=4 5665 B12R0.248 CC(C#N)OCCCCCCCO 34a_100011218135_100000760002 [0,1,0,0,0,0|2,0,1]=4 5666 B12R0.248 CC(CF)OCCCCCCCO 34a_100016041109_100000760002 [0,1,0,0,0,0|2,0,1]=4 5667 B12R0.248 CC(CF)OCCCCCCCO 7a_100016041109_100000760002 [0,1,0,0,0,0|2,0,1]=4 5668 B12R0.248 CC(CN)OCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|2,0,1]=4 5669 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,1,0,0,0,0|1,0,2]=4 5670 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,1,0,0,0,0|1,0,2]=4 5671 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,1,0,0,0,0|1,0,2]=4 5672 B12R0.248 CC/C=C\CCSCOC(=O)OC 62a_100015370543_100000139417 [0,1,0,0,0,0|1,0,2]=4 5673 B12R0.248 CC/C=C\COCCOC(=O)CC 7a_200000031056_100103147603 [0,1,0,0,0,0|1,0,2]=4 5674 B12R0.248 CC/C=C\COCCOC(=O)NC 34a_100016268518_200011997002 [0,1,0,0,0,0|1,0,2]=4 5675 B12R0.248 CC/C=C\COCCOC(=O)OC 34a_100010262106_100103147603 [0,1,0,0,0,0|1,0,2]=4 5676 B12R0.248 CC/C=C\CSCCOC(=O)NC 62a_100103147603_200011997002 [0,1,0,0,0,0|1,0,2]=4 5677 B12R0.248 CC/C=C\CSCCOC(=O)NC 62a_200011997002_100103147603 [0,1,0,0,0,0|1,0,2]=4 5678 B12R0.248 CCC#CCOCCOC(=O)CC 7a_200000031056_100009813939 [0,1,0,0,0,0|1,0,2]=4 5679 B12R0.248 CCC#CCOCCOC(=O)NC 34a_100000032950_200011997002 [0,1,0,0,0,0|1,0,2]=4 5680 B12R0.248 CCC#CCOCCOC(=O)OC 34a_100010262106_100009813939 [0,1,0,0,0,0|1,0,2]=4 5681 B12R0.248 CCC#CCSCCOC(=O)NC 62a_100009813939_200011997002 [0,1,0,0,0,0|1,0,2]=4 5682 B12R0.248 CCC#CCSCCOC(=O)NC 62a_200011997002_100009813939 [0,1,0,0,0,0|1,0,2]=4 5683 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|2,0,0]=3 5684 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,1,0,0,0,0|3,0,0]=4 5685 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,1,0,0,0,0|3,0,0]=4 5686 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,1,0,0,0,0|3,0,0]=4 5687 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,1,0,0,0,0|3,0,0]=4 5688 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,1,0,0,0,0|3,0,0]=4 5689 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,1,0,0,0,0|3,0,0]=4 5690 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,1,0,0,0,0|3,0,0]=4 5691 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,1,0,0,0,0|3,0,0]=4 5692 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,1,0,0,0,0|3,0,0]=4 5693 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|2,0,0]=3 5694 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,1,0,0,0,0|3,0,0]=4 5695 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,1,0,0,0,0|3,0,0]=4 5696 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,1,0,0,0,0|3,0,0]=4 5697 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,1,0,0,0,0|3,0,0]=4 5698 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,1,0,0,0,0|3,0,0]=4 5699 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,1,0,0,0,0|3,0,0]=4 5700 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,1,0,0,0,0|3,0,0]=4 5701 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,1,0,0,0,0|3,0,0]=4 5702 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,1,0,0,0,0|3,0,0]=4 5703 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,1,0,0,0,0|3,0,0]=4 5704 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,1,0,0,0,0|3,0,0]=4 5705 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,1,0,0,0,0|3,0,0]=4 5706 B12R0.248 CCC(=O)OCCOCCCC#N 7a_200000031056_100000687738 [0,1,0,0,0,0|2,0,1]=4 5707 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,1,0,0,0,0|2,0,1]=4 5708 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,1,0,0,0,0|2,0,0]=3 5709 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,1,0,0,0,0|2,0,0]=3 5710 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,1,0,0,0,0|2,0,0]=3 5711 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,1,0,0,0,0|2,0,1]=4 5712 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,1,0,0,0,0|2,0,1]=4 5713 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,1,0,0,0,0|2,0,1]=4 5714 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,1,0,0,0,0|2,0,1]=4 5715 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,1,0,0,0,0|2,0,1]=4 5716 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,1,0,0,0,0|2,0,1]=4 5717 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,1,0,0,0,0|2,0,1]=4 5718 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,1,0,0,0,0|1,0,2]=4 5719 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|1,0,2]=4 5720 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,1,0,0,0,0|1,0,2]=4 5721 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,1,0,0,0,0|1,0,2]=4 5722 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,1,0,0,0,0|1,0,2]=4 5723 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 5724 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 5725 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 5726 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,2]=4 5727 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|1,0,2]=4 5728 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|1,0,2]=4 5729 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 5730 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|1,0,2]=4 5731 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,1,0,0,0,0|2,0,1]=4 5732 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,1]=3 5733 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|1,0,1]=3 5734 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|1,0,1]=3 5735 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|1,0,1]=3 5736 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|1,0,1]=3 5737 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,0]=2 5738 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,0]=2 5739 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,0]=2 5740 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|1,0,0]=2 5741 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,0]=2 5742 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 5743 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 5744 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 5745 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|2,0,1]=4 5746 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|1,0,2]=4 5747 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|1,0,2]=4 5748 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|1,0,2]=4 5749 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|1,0,2]=4 5750 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|3,0,0]=4 5751 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|3,0,0]=4 5752 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|3,0,0]=4 5753 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|3,0,0]=4 5754 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,1,0,0,0,0|3,0,0]=4 5755 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5756 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5757 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5758 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5759 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 5760 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 5761 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|1,0,0]=2 5762 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|1,0,0]=2 5763 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|1,0,0]=2 5764 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|1,0,0]=2 5765 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|1,0,0]=2 5766 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|1,0,0]=2 5767 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,1,0,0,0,0|2,0,1]=4 5768 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,1,0,0,0,0|2,0,1]=4 5769 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,1,0,0,0,0|2,0,1]=4 5770 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,1,0,0,0,0|2,0,1]=4 5771 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,1,0,0,0,0|2,0,1]=4 5772 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 5773 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 5774 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|1,0,2]=4 5775 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,1,0,0,0,0|1,0,1]=3 5776 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,1,0,0,0,0|1,0,1]=3 5777 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,1,0,0,0,0|1,0,1]=3 5778 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,1,0,0,0,0|1,0,1]=3 5779 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,1,0,0,0,0|1,0,1]=3 5780 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,1,0,0,0,0|1,0,1]=3 5781 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,1,0,0,0,0|1,0,1]=3 5782 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,1]=3 5783 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|0,0,2]=3 5784 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|0,0,2]=3 5785 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,1,0,0,0,0|1,1,1]=4 5786 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,1,0,0,0,0|1,1,1]=4 5787 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,1,0,0,0,0|1,1,1]=4 5788 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,1,0,0,0,0|1,1,1]=4 5789 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|0,1,2]=4 5790 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,1,0,0,0,0|0,1,2]=4 5791 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,1,0,0,0,0|0,1,2]=4 5792 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|0,1,2]=4 5793 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|0,1,2]=4 5794 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,0,0,0,0|2,0,0]=3 5795 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,0,0,0,0|2,0,0]=3 5796 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|2,0,0]=3 5797 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|2,0,0]=3 5798 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|2,0,0]=3 5799 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,0,0,0,0|2,0,0]=3 5800 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,0,0,0,0|2,0,0]=3 5801 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,0,0,0,0|2,0,0]=3 5802 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|2,0,0]=3 5803 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|2,0,0]=3 5804 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|2,0,0]=3 5805 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|2,0,0]=3 5806 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,0,0,0,0|2,0,0]=3 5807 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,0,0,0,0|2,0,0]=3 5808 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|2,0,0]=3 5809 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|2,0,0]=3 5810 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,0,0,0,0|2,0,0]=3 5811 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,0,0,0,0|2,0,0]=3 5812 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,0,0,0,0|2,0,0]=3 5813 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|2,0,0]=3 5814 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,0,0,0,0|2,0,0]=3 5815 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,0,0,0,0|2,0,0]=3 5816 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,0,0,0,0|2,0,0]=3 5817 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|2,0,0]=3 5818 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|2,0,0]=3 5819 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,0,0,0,0|2,0,0]=3 5820 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,0,0,0,0|2,0,0]=3 5821 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|2,0,0]=3 5822 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|2,0,0]=3 5823 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|1,0,0]=2 5824 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,1,0,0,0,0|2,0,1]=4 5825 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,0,0,0,0|2,0,0]=3 5826 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,0,0,0,0|2,0,0]=3 5827 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,0,0,0,0|2,0,0]=3 5828 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|2,0,0]=3 5829 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,1,0,0,0,0|2,0,0]=3 5830 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,1,0,0,0,0|2,0,0]=3 5831 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,1,0,0,0,0|2,0,1]=4 5832 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,1,0,0,0,0|1,0,2]=4 5833 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,1,0,0,0,0|2,0,1]=4 5834 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,1,0,0,0,0|2,0,1]=4 5835 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,0,0,0,0|2,0,0]=3 5836 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,0,0,0,0|2,0,0]=3 5837 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,1,0,0,0,0|3,0,0]=4 5838 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|2,0,0]=3 5839 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|2,0,0]=3 5840 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,1,0,0,0,0|2,0,0]=3 5841 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,1,0,0,0,0|2,0,0]=3 5842 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|2,0,0]=3 5843 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,1,0,0,0,0|1,0,0]=2 5844 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,1,0,0,0,0|1,0,0]=2 5845 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,1,0,0,0,0|1,0,0]=2 5846 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|1,0,0]=2 5847 B12R0.248 CCCCCOCCOC(C)C#N 7a_100011215259_100000703298 [0,1,0,0,0,0|2,0,1]=4 5848 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,1,0,0,0,0|2,0,1]=4 5849 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,1,0,0,0,0|2,0,1]=4 5850 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,1,0,0,0,0|1,0,2]=4 5851 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,1,0,0,0,0|1,0,2]=4 5852 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,1,0,0,0,0|2,0,1]=4 5853 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,1,0,0,0,0|2,0,1]=4 5854 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,0,0,0,0|2,0,0]=3 5855 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,0,0,0,0|2,0,0]=3 5856 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|2,0,0]=3 5857 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|2,0,0]=3 5858 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,1,0,0,0,0|1,0,0]=2 5859 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,1,0,0,0,0|1,0,0]=2 5860 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|2,0,0]=3 5861 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|2,0,0]=3 5862 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|3,0,0]=4 5863 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|3,0,0]=4 5864 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|2,0,0]=3 5865 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|2,0,0]=3 5866 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|2,0,0]=3 5867 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|2,0,0]=3 5868 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 5869 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 5870 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 5871 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 5872 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 5873 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,1,0,0,0,0|2,0,0]=3 5874 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,1,0,0,0,0|2,0,0]=3 5875 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,1,0,0,0,0|2,0,0]=3 5876 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,1,0,0,0,0|2,0,0]=3 5877 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,1,0,0,0,0|2,0,0]=3 5878 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,1,0,0,0,0|2,0,0]=3 5879 B12R0.248 CCCCOCCCOC(C)C#N 7a_200011215613_100000703298 [0,1,0,0,0,0|2,0,1]=4 5880 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,1,0,0,0,0|2,0,1]=4 5881 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,1,0,0,0,0|2,0,1]=4 5882 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,1,0,0,0,0|1,0,2]=4 5883 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,1,0,0,0,0|1,0,2]=4 5884 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,1,0,0,0,0|3,0,0]=4 5885 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,1,0,0,0,0|3,0,0]=4 5886 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,1,0,0,0,0|3,0,0]=4 5887 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,1,0,0,0,0|3,0,0]=4 5888 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,1,0,0,0,0|3,0,0]=4 5889 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,1,0,0,0,0|3,0,0]=4 5890 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,1,0,0,0,0|3,0,0]=4 5891 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,1,0,0,0,0|3,0,0]=4 5892 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,1,0,0,0,0|3,0,0]=4 5893 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,1,0,0,0,0|3,0,0]=4 5894 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,1,0,0,0,0|3,0,0]=4 5895 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|3,0,0]=4 5897 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|3,0,0]=4 5898 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|3,0,0]=4 5899 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|3,0,0]=4 5900 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,1,0,0,0,0|3,0,0]=4 5901 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,1,0,0,0,0|3,0,0]=4 5902 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,1,0,0,0,0|3,0,0]=4 5903 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,1,0,0,0,0|3,0,0]=4 5904 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|3,0,0]=4 5905 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|3,0,0]=4 5906 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,1,0,0,0,0|3,0,0]=4 5907 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,1,0,0,0,0|3,0,0]=4 5908 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,1,0,0,0,0|3,0,0]=4 5909 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,1,0,0,0,0|3,0,0]=4 5910 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,1,0,0,0,0|3,0,0]=4 5911 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,0,0,0,0|3,0,0]=4 5912 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,0,0,0,0|3,0,0]=4 5913 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,1,0,0,0,0|2,0,0]=3 5914 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|2,0,0]=3 5915 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|2,0,0]=3 5916 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,1,0,0,0,0|3,0,0]=4 5917 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,0,0,0,0|3,0,0]=4 5918 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,1,0,0,0,0|3,0,0]=4 5919 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,1,0,0,0,0|3,0,0]=4 5920 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,1,0,0,0,0|3,0,0]=4 5921 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|3,0,0]=4 5922 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|3,0,0]=4 5923 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|3,0,0]=4 5924 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|3,0,0]=4 5925 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|2,0,0]=3 5926 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|2,0,0]=3 5927 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|2,0,0]=3 5928 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,1,0,0,0,0|3,0,0]=4 5929 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,1,0,0,0,0|3,0,0]=4 5930 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,0,0,0,0|3,0,0]=4 5931 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,0,0,0,0|3,0,0]=4 5932 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,1,0,0,0,0|3,0,0]=4 5933 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,1,0,0,0,0|3,0,0]=4 5934 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,1,0,0,0,0|3,0,0]=4 5935 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,1,0,0,0,0|3,0,0]=4 5936 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,0,0,0,0|3,0,0]=4 5937 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,0,0,0,0|3,0,0]=4 5938 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,1,0,0,0,0|3,0,0]=4 5939 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,1,0,0,0,0|3,0,0]=4 5940 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,1,0,0,0,0|3,0,0]=4 5941 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,0,0,0,0|3,0,0]=4 5942 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,0,0,0,0|3,0,0]=4 5943 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,1,0,0,0,0|3,0,0]=4 5944 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,1,0,0,0,0|3,0,0]=4 5945 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,0,0,0,0|3,0,0]=4 5946 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,0,0,0,0|3,0,0]=4 5947 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,1,0,0,0,0|2,0,0]=3 5948 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|2,0,0]=3 5949 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|2,0,0]=3 5950 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,1,0,0,0,0|3,0,0]=4 5951 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,0,0,0,0|3,0,0]=4 5952 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,1,0,0,0,0|3,0,0]=4 5953 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,1,0,0,0,0|3,0,0]=4 5954 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,0,0,0,0|3,0,0]=4 5955 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,0,0,0,0|3,0,0]=4 5956 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|2,0,0]=3 5957 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|2,0,0]=3 5958 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|2,0,0]=3 5959 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|2,0,0]=3 5960 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,1,0,0,0,0|3,0,0]=4 5961 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,1,0,0,0,0|3,0,0]=4 5962 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,1,0,0,0,0|3,0,0]=4 5963 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,1,0,0,0,0|3,0,0]=4 5964 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,0,0,0,0|3,0,0]=4 5965 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,0,0,0,0|3,0,0]=4 5966 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,1,0,0,0,0|3,0,0]=4 5967 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,1,0,0,0,0|3,0,0]=4 5968 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,1,0,0,0,0|3,0,0]=4 5969 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,0,0,0,0|3,0,0]=4 5970 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,0,0,0,0|3,0,0]=4 5971 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,1,0,0,0,0|3,0,0]=4 5972 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,1,0,0,0,0|3,0,0]=4 5973 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,0,0,0,0|3,0,0]=4 5974 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,0,0,0,0|3,0,0]=4 5975 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,1,0,0,0,0|2,0,0]=3 5976 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,1,0,0,0,0|3,0,0]=4 5977 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,1,0,0,0,0|3,0,0]=4 5978 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,1,0,0,0,0|3,0,0]=4 5979 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,1,0,0,0,0|3,0,0]=4 5980 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,0,0,0,0|3,0,0]=4 5981 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,0,0,0,0|3,0,0]=4 5982 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,1,0,0,0,0|3,0,0]=4 5983 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,1,0,0,0,0|3,0,0]=4 5984 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,1,0,0,0,0|2,0,0]=3 5985 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,1,0,0,0,0|3,0,0]=4 5986 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,1,0,0,0,0|3,0,0]=4 5987 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,0,0,0,0|3,0,0]=4 5988 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,0,0,0,0|3,0,0]=4 5989 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5990 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5991 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5992 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,1,0,0,0,0|3,0,0]=4 5993 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5994 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,1,0,0,0,0|3,0,0]=4 5995 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 5996 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 5997 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,1,0,0,0,0|3,0,0]=4 5998 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,1,0,0,0,0|3,0,0]=4 5999 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,1,0,0,0,0|3,0,0]=4 6000 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,1,0,0,0,0|3,0,0]=4 6001 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,1,0,0,0,0|3,0,0]=4 6002 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,1,0,0,0,0|3,0,0]=4 6003 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,1,0,0,0,0|2,0,0]=3 6004 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,1,0,0,0,0|2,0,0]=3 6005 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,1,0,0,0,0|2,0,0]=3 6006 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,1,0,0,0,0|2,0,0]=3 6007 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,1,0,0,0,0|3,0,0]=4 6008 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,1,0,0,0,0|3,0,0]=4 6009 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,0,0,0,0|3,0,0]=4 6010 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,0,0,0,0|3,0,0]=4 6011 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,1,0,0,0,0|2,0,0]=3 6012 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,1,0,0,0,0|2,0,0]=3 6013 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,1,0,0,0,0|3,0,0]=4 6014 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,1,0,0,0,0|3,0,0]=4 6015 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|2,0,0]=3 6016 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|2,0,0]=3 6017 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,1,0,0,0,0|3,0,0]=4 6018 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,1,0,0,0,0|3,0,0]=4 6019 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,0,0,0,0|3,0,0]=4 6020 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,0,0,0,0|3,0,0]=4 6021 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,1,0,0,0,0|3,0,0]=4 6022 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,1,0,0,0,0|3,0,0]=4 6023 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,1,0,0,0,0|3,0,0]=4 6024 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,0,0,0,0|3,0,0]=4 6025 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,1,0,0,0,0|3,0,0]=4 6026 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,1,0,0,0,0|3,0,0]=4 6027 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,1,0,0,0,0|3,0,0]=4 6028 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,1,0,0,0,0|3,0,0]=4 6029 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,0,0,0,0|3,0,0]=4 6030 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,0,0,0,0|3,0,0]=4 6031 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,1,0,0,0,0|3,0,0]=4 6032 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,1,0,0,0,0|3,0,0]=4 6033 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,1,0,0,0,0|3,0,0]=4 6034 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,1,0,0,0,0|2,0,0]=3 6035 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,1,0,0,0,0|2,0,0]=3 6036 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,1,0,0,0,0|2,0,0]=3 6037 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,1,0,0,0,0|2,0,0]=3 6038 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,1,0,0,0,0|3,0,0]=4 6039 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,1,0,0,0,0|3,0,0]=4 6040 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,0,0,0,0|3,0,0]=4 6041 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,0,0,0,0|3,0,0]=4 6042 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,1,0,0,0,0|2,0,0]=3 6043 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,1,0,0,0,0|2,0,0]=3 6044 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|2,0,0]=3 6045 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,1,0,0,0,0|3,0,0]=4 6046 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,1,0,0,0,0|3,0,0]=4 6047 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,1,0,0,0,0|3,0,0]=4 6048 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,1,0,0,0,0|3,0,0]=4 6049 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,1,0,0,0,0|3,0,0]=4 6050 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,1,0,0,0,0|3,0,0]=4 6051 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,1,0,0,0,0|3,0,0]=4 6052 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,1,0,0,0,0|3,0,0]=4 6053 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,1,0,0,0,0|3,0,0]=4 6054 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,1,0,0,0,0|3,0,0]=4 6055 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,1,0,0,0,0|3,0,0]=4 6056 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,1,0,0,0,0|3,0,0]=4 6057 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,1,0,0,0,0|3,0,0]=4 6058 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,1,0,0,0,0|3,0,0]=4 6059 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,1,0,0,0,0|3,0,0]=4 6060 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,1,0,0,0,0|3,0,0]=4 6061 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,1,0,0,0,0|3,0,0]=4 6062 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,1,0,0,0,0|3,0,0]=4 6063 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,1,0,0,0,0|3,0,0]=4 6064 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,1,0,0,0,0|3,0,0]=4 6065 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,1,0,0,0,0|3,0,0]=4 6066 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,1,0,0,0,0|3,0,0]=4 6067 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,1,0,0,0,0|3,0,0]=4 6068 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,1,0,0,0,0|3,0,0]=4 6069 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,1,0,0,0,0|3,0,0]=4 6070 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,1,0,0,0,0|3,0,0]=4 6071 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,1,0,0,0,0|3,0,0]=4 6072 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,1,0,0,0,0|3,0,0]=4 6073 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,1,0,0,0,0|3,0,0]=4 6074 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,1,0,0,0,0|3,0,0]=4 6075 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,1,0,0,0,0|3,0,0]=4 6076 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,1,0,0,0,0|3,0,0]=4 6077 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,1,0,0,0,0|3,0,0]=4 6078 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,1,0,0,0,0|3,0,0]=4 6079 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,1,0,0,0,0|3,0,0]=4 6080 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,1,0,0,0,0|3,0,0]=4 6081 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,1,0,0,0,0|3,0,0]=4 6082 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,1,0,0,0,0|3,0,0]=4 6083 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,1,0,0,0,0|3,0,0]=4 6084 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,1,0,0,0,0|3,0,0]=4 6085 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,1,0,0,0,0|3,0,0]=4 6086 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,1,0,0,0,0|3,0,0]=4 6087 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,1,0,0,0,0|3,0,0]=4 6088 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,1,0,0,0,0|3,0,0]=4 6089 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,1,0,0,0,0|3,0,0]=4 6090 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,1,0,0,0,0|3,0,0]=4 6091 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,1,0,0,0,0|3,0,0]=4 6092 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,1,0,0,0,0|3,0,0]=4 6093 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,1,0,0,0,0|3,0,0]=4 6094 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,1,0,0,0,0|3,0,0]=4 6095 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,1,0,0,0,0|3,0,0]=4 6096 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,1,0,0,0,0|3,0,0]=4 6097 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,1,0,0,0,0|3,0,0]=4 6098 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,1,0,0,0,0|3,0,0]=4 6099 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,1,0,0,0,0|3,0,0]=4 6100 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,1,0,0,0,0|3,0,0]=4 6101 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,1,0,0,0,0|3,0,0]=4 6102 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,1,0,0,0,0|3,0,0]=4 6103 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,1,0,0,0,0|3,0,0]=4 6104 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,1,0,0,0,0|3,0,0]=4 6105 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,1,0,0,0,0|3,0,0]=4 6106 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,1,0,0,0,0|3,0,0]=4 6107 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,1,0,0,0,0|3,0,0]=4 6108 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,1,0,0,0,0|3,0,0]=4 6109 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,1,0,0,0,0|3,0,0]=4 6110 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,1,0,0,0,0|3,0,0]=4 6111 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,1,0,0,0,0|3,0,0]=4 6112 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,1,0,0,0,0|3,0,0]=4 6113 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,1,0,0,0,0|3,0,0]=4 6114 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,1,0,0,0,0|3,0,0]=4 6115 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,1,0,0,0,0|3,0,0]=4 6116 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,1,0,0,0,0|3,0,0]=4 6117 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,1,0,0,0,0|2,0,0]=3 6118 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,1,0,0,0,0|2,0,0]=3 6119 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,1,0,0,0,0|2,0,0]=3 6120 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,1,0,0,0,0|2,0,0]=3 6121 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,1,0,0,0,0|2,0,0]=3 6122 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,1,0,0,0,0|2,0,0]=3 6123 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,1,0,0,0,0|3,0,0]=4 6124 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,1,0,0,0,0|3,0,0]=4 6125 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,1,0,0,0,0|3,0,0]=4 6126 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,1,0,0,0,0|3,0,0]=4 6127 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,1,0,0,0,0|3,0,0]=4 6128 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,1,0,0,0,0|3,0,0]=4 6129 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,1,0,0,0,0|3,0,0]=4 6130 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,1,0,0,0,0|3,0,0]=4 6131 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,1,0,0,0,0|3,0,0]=4 6132 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,1,0,0,0,0|3,0,0]=4 6133 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,1,0,0,0,0|2,0,0]=3 6134 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,1,0,0,0,0|2,0,0]=3 6135 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,1,0,0,0,0|2,0,0]=3 6136 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,1,0,0,0,0|2,0,0]=3 6137 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,1,0,0,0,0|2,0,0]=3 6138 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,1,0,0,0,0|2,0,0]=3 6139 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,1,0,0,0,0|2,0,0]=3 6140 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,1,0,0,0,0|2,0,0]=3 6141 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,1,0,0,0,0|2,0,0]=3 6142 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,1,0,0,0,0|2,0,0]=3 6143 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,1,0,0,0,0|2,0,0]=3 6144 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,1,0,0,0,0|2,0,0]=3 6145 B12R0.248 CNC(=O)OCCSCCCC#N 62a_100000687738_200011997002 [0,1,0,0,0,0|2,0,1]=4 6146 B12R0.248 CNC(=O)OCCSCCCC#N 62a_200011997002_100000687738 [0,1,0,0,0,0|2,0,1]=4 6147 B12R0.248 CNC(=O)OCCSCCCC=O 62a_200011292268_200011997002 [0,1,0,0,0,0|2,0,1]=4 6148 B12R0.248 CNC(=O)OCCSCCCC=O 62a_200011997002_200011292268 [0,1,0,0,0,0|2,0,1]=4 6149 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,1,0,0,0,0|2,0,0]=3 6150 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,1,0,0,0,0|2,0,0]=3 6151 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,1,0,0,0,0|2,0,0]=3 6152 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,1,0,0,0,0|2,0,0]=3 6153 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,1,0,0,0,0|2,0,0]=3 6154 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,1,0,0,0,0|2,0,0]=3 6155 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|2,0,0]=3 6156 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|2,0,0]=3 6157 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|2,0,0]=3 6158 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,1,0,0,0,0|3,0,0]=4 6159 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|3,0,0]=4 6160 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,1,0,0,0,0|3,0,0]=4 6161 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|3,0,0]=4 6162 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,1,0,0,0,0|2,0,0]=3 6163 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|2,0,0]=3 6164 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|2,0,0]=3 6165 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|2,0,0]=3 6166 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|2,0,0]=3 6167 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|2,0,0]=3 6168 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|2,0,0]=3 6169 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,0,0,0,0|3,0,0]=4 6170 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,0,0,0,0|3,0,0]=4 6171 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,0,0,0,0|3,0,0]=4 6172 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,0,0,0,0|3,0,0]=4 6173 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,0,0,0,0|3,0,0]=4 6174 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|3,0,0]=4 6175 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|3,0,0]=4 6176 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,0,0,0,0|3,0,0]=4 6177 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,0,0,0,0|3,0,0]=4 6178 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,0,0,0,0|3,0,0]=4 6179 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,0,0,0,0|3,0,0]=4 6180 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|3,0,0]=4 6181 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|3,0,0]=4 6182 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,0,0,0,0|3,0,0]=4 6183 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,0,0,0,0|3,0,0]=4 6184 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,0,0,0,0|3,0,0]=4 6185 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|3,0,0]=4 6186 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|3,0,0]=4 6187 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,0,0,0,0|3,0,0]=4 6188 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,0,0,0,0|3,0,0]=4 6189 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,0,0,0,0|3,0,0]=4 6190 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,0,0,0,0|3,0,0]=4 6191 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,0,0,0,0|3,0,0]=4 6192 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,0,0,0,0|3,0,0]=4 6193 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,0,0,0,0|3,0,0]=4 6194 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,0,0,0,0|3,0,0]=4 6195 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,0,0,0,0|3,0,0]=4 6196 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,0,0,0,0|3,0,0]=4 6197 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,0,0,0,0|3,0,0]=4 6198 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|3,0,0]=4 6199 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|3,0,0]=4 6200 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|3,0,0]=4 6201 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|3,0,0]=4 6202 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|3,0,0]=4 6203 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|3,0,0]=4 6204 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,0,0,0,0|3,0,0]=4 6205 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,0,0,0,0|3,0,0]=4 6206 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|3,0,0]=4 6207 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|3,0,0]=4 6208 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,0,0,0,0|3,0,0]=4 6209 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,0,0,0,0|3,0,0]=4 6210 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|3,0,0]=4 6211 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|3,0,0]=4 6212 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|3,0,0]=4 6213 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|3,0,0]=4 6214 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|3,0,0]=4 6215 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|3,0,0]=4 6216 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|3,0,0]=4 6217 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|3,0,0]=4 6218 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|3,0,0]=4 6219 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|3,0,0]=4 6220 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|3,0,0]=4 6221 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|3,0,0]=4 6222 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|3,0,0]=4 6223 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|3,0,0]=4 6224 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|3,0,0]=4 6225 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|3,0,0]=4 6226 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|3,0,0]=4 6227 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|3,0,0]=4 6228 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|3,0,0]=4 6229 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|3,0,0]=4 6230 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|3,0,0]=4 6231 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|3,0,0]=4 6232 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|3,0,0]=4 6233 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|3,0,0]=4 6234 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|3,0,0]=4 6235 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|3,0,0]=4 6236 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|3,0,0]=4 6237 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|3,0,0]=4 6238 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|3,0,0]=4 6239 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|3,0,0]=4 6240 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|3,0,0]=4 6241 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|3,0,0]=4 6242 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|3,0,0]=4 6243 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|3,0,0]=4 6244 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|3,0,0]=4 6245 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|3,0,0]=4 6246 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|3,0,0]=4 6247 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|3,0,0]=4 6248 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|3,0,0]=4 6249 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|3,0,0]=4 6250 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|3,0,0]=4 6251 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|3,0,0]=4 6252 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|3,0,0]=4 6253 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|3,0,0]=4 6254 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,1,0,0,0,0|3,0,0]=4 6255 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,1,0,0,0,0|3,0,0]=4 6256 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,1,0,0,0,0|2,0,0]=3 6257 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,1,0,0,0,0|2,0,0]=3 6258 B12R0.248 COC(=O)OCSCCCCC#N 62a_100011219923_100000139417 [0,1,0,0,0,0|2,0,1]=4 6259 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [0,1,0,0,0,0|2,0,1]=4 6260 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,1,0,0,0,0|2,0,0]=3 6261 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,1,0,0,0,0|2,0,0]=3 6262 B12R0.248 COC(=O)OCSCCOCCO 62a_100011215305_100000139417 [0,1,0,0,0,0|3,0,0]=4 6263 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|2,0,0]=3 6264 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|2,0,0]=3 6265 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|2,0,0]=3 6266 B12R0.248 COCCCCCCOC(C)C#N 34a_100011218135_100011998445 [0,1,0,0,0,0|2,0,1]=4 6267 B12R0.248 COCCCCCCOC(C)C#N 7a_200012092642_100000703298 [0,1,0,0,0,0|2,0,1]=4 6268 B12R0.248 COCCCCCCOC(C)CF 34a_100016041109_100011998445 [0,1,0,0,0,0|2,0,1]=4 6269 B12R0.248 COCCCCCCOC(C)CF 7a_100016041109_100011998445 [0,1,0,0,0,0|2,0,1]=4 6270 B12R0.248 COCCCCCCOC(C)CN 34a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 6271 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,1,0,0,0,0|1,0,2]=4 6272 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,1,0,0,0,0|1,0,2]=4 6273 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|3,0,0]=4 6274 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|3,0,0]=4 6275 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|3,0,0]=4 6276 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|3,0,0]=4 6277 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|3,0,0]=4 6278 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,1,0,0,0,0|2,0,0]=3 6279 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|3,0,0]=4 6280 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|3,0,0]=4 6281 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,1,0,0,0,0|3,0,0]=4 6282 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,1,0,0,0,0|2,0,0]=3 6283 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|3,0,0]=4 6284 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|3,0,0]=4 6285 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|3,0,0]=4 6286 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|3,0,0]=4 6287 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|3,0,0]=4 6288 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|3,0,0]=4 6289 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,1,0,0,0,0|3,0,0]=4 6290 B12R0.248 COCCOCSCOC(=O)OC 62a_100000231047_100000139417 [0,1,0,0,0,0|3,0,0]=4 6291 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|3,0,0]=4 6292 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|3,0,0]=4 6293 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,0,0,0,0|3,0,0]=4 6294 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,0,0,0,0|3,0,0]=4 6295 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|2,0,0]=3 6296 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,0]=3 6297 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,1,0,0,0,0|3,0,0]=4 6298 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,1,0,0,0,0|2,0,0]=3 6299 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,1,0,0,0,0|3,0,0]=4 6300 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,1,0,0,0,0|3,0,0]=4 6301 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,1,0,0,0,0|3,0,0]=4 6302 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,1,0,0,0,0|3,0,0]=4 6303 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,1,0,0,0,0|3,0,0]=4 6304 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,1,0,0,0,0|3,0,0]=4 6305 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,1,0,0,0,0|3,0,0]=4 6306 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,1,0,0,0,0|3,0,0]=4 6307 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,1,0,0,0,0|3,0,0]=4 6308 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,1,0,0,0,0|3,0,0]=4 6309 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,1,0,0,0,0|3,0,0]=4 6310 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,1,0,0,0,0|3,0,0]=4 6311 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,1,0,0,0,0|3,0,0]=4 6312 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,1,0,0,0,0|3,0,0]=4 6313 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,1,0,0,0,0|3,0,0]=4 6314 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,1,0,0,0,0|3,0,0]=4 6315 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,1,0,0,0,0|3,0,0]=4 6316 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,1,0,0,0,0|3,0,0]=4 6317 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,1,0,0,0,0|3,0,0]=4 6318 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,1,0,0,0,0|3,0,0]=4 6319 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,1,0,0,0,0|3,0,0]=4 6320 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,1,0,0,0,0|3,0,0]=4 6321 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,1,0,0,0,0|3,0,0]=4 6322 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,1,0,0,0,0|3,0,0]=4 6323 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,1,0,0,0,0|3,0,0]=4 6324 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,1,0,0,0,0|3,0,0]=4 6325 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,1,0,0,0,0|3,0,0]=4 6326 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,1,0,0,0,0|3,0,0]=4 6327 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,1,0,0,0,0|2,0,1]=4 6328 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,1,0,0,0,0|2,0,1]=4 6329 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,1,0,0,0,0|2,0,1]=4 6330 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,1,0,0,0,0|3,0,0]=4 6331 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,1,0,0,0,0|3,0,0]=4 6332 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,1,0,0,0,0|3,0,0]=4 6333 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,1,0,0,0,0|3,0,0]=4 6334 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,1,0,0,0,0|1,0,2]=4 6335 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,1,0,0,0,0|1,0,2]=4 6336 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,1,0,0,0,0|3,0,0]=4 6337 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|1,0,0]=2 6338 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|1,0,0]=2 6339 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,1,0,0,0,0|1,0,0]=2 6340 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,1,0,0,0,0|1,0,0]=2 6341 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,1,0,0,0,0|1,0,0]=2 6342 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,1,0,0,0,0|1,0,0]=2 6343 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,1,0,0,0,0|2,0,1]=4 6344 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,1,0,0,0,0|2,0,1]=4 6345 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,1,0,0,0,0|2,0,1]=4 6346 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,1,0,0,0,0|3,0,0]=4 6347 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,1,0,0,0,0|2,0,0]=3 6348 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,1,0,0,0,0|3,0,0]=4 6349 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,1,0,0,0,0|3,0,0]=4 6350 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,0,0,0,0|3,0,0]=4 6351 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,1,0,0,0,0|3,0,0]=4 6352 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,1,0,0,0,0|3,0,0]=4 6353 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,1,0,0,0,0|2,0,0]=3 6354 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,1,0,0,0,0|2,0,0]=3 6355 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,1,0,0,0,0|3,0,0]=4 6356 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,1,0,0,0,0|3,0,0]=4 6357 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,1,0,0,0,0|3,0,0]=4 6358 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,1,0,0,0,0|3,0,0]=4 6359 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,1,0,0,0,0|3,0,0]=4 6360 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,1,0,0,0,0|3,0,0]=4 6361 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,1,0,0,0,0|3,0,0]=4 6362 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,1,0,0,0,0|3,0,0]=4 6363 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,1,0,0,0,0|2,0,0]=3 6364 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,1,0,0,0,0|2,0,0]=3 6365 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,1,0,0,0,0|3,0,0]=4 6366 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,1,0,0,0,0|3,0,0]=4 6367 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,1,0,0,0,0|3,0,0]=4 6368 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,1,0,0,0,0|3,0,0]=4 6369 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,1,0,0,0,0|3,0,0]=4 6370 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,1,0,0,0,0|3,0,0]=4 6371 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,0,0,0,0|3,0,0]=4 6372 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,0,0,0,0|3,0,0]=4 6373 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,1,0,0,0,0|2,0,0]=3 6374 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,1,0,0,0,0|2,0,0]=3 6375 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,1,0,0,0,0|2,0,0]=3 6376 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,1,0,0,0,0|3,0,0]=4 6377 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,1,0,0,0,0|2,0,0]=3 6378 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,1,0,0,0,0|2,0,0]=3 6379 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,1,0,0,0,0|3,0,0]=4 6380 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,1,0,0,0,0|3,0,0]=4 6381 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,1,0,0,0,0|3,0,0]=4 6382 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,1,0,0,0,0|3,0,0]=4 6383 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,1,0,0,0,0|3,0,0]=4 6384 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,1,0,0,0,0|3,0,0]=4 6385 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,1,0,0,0,0|3,0,0]=4 6386 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,1,0,0,0,0|3,0,0]=4 6387 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,1,0,0,0,0|3,0,0]=4 6388 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,1,0,0,0,0|3,0,0]=4 6389 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,1,0,0,0,0|3,0,0]=4 6390 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,1,0,0,0,0|3,0,0]=4 6391 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,1,0,0,0,0|3,0,0]=4 6392 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,1,0,0,0,0|3,0,0]=4 6393 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,1,0,0,0,0|3,0,0]=4 6394 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,1,0,0,0,0|3,0,0]=4 6395 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,1,0,0,0,0|3,0,0]=4 6396 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,1,0,0,0,0|3,0,0]=4 6397 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,1,0,0,0,0|3,0,0]=4 6398 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,1,0,0,0,0|3,0,0]=4 6399 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,1,0,0,0,0|3,0,0]=4 6400 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,1,0,0,0,0|3,0,0]=4 6401 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,1,0,0,0,0|3,0,0]=4 6402 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,1,0,0,0,0|3,0,0]=4 6403 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,1,0,0,0,0|3,0,0]=4 6404 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,1,0,0,0,0|3,0,0]=4 6405 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,1,0,0,0,0|3,0,0]=4 6406 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,1,0,0,0,0|3,0,0]=4 6407 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,1,0,0,0,0|3,0,0]=4 6408 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,1,0,0,0,0|3,0,0]=4 6409 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,1,0,0,0,0|3,0,0]=4 6410 B12R0.255 C#CCCCCC(=O)COC(=O)C 1458a_100000183556_100010269958 [0,1,0,0,0,0|0,0,3]=4 6411 B12R0.255 C#CCCCNC(C)COC(=O)C 270004a_100000718082_100000000629 [0,1,0,0,0,0|1,0,2]=4 6412 B12R0.255 C#CCCNCC(O)COC(=O)C 34a_100000755551_200000139349 [0,1,0,0,0,0|1,0,2]=4 6413 B12R0.255 C#CCCOCC(O)COC(=O)C 34a_100011215631_200000139349 [0,1,0,0,0,0|1,0,2]=4 6414 B12R0.255 C#CCCSCC(O)COC(=O)C 62a_100000688953_200000139349 [0,1,0,0,0,0|1,0,2]=4 6415 B12R0.255 C#CCCSCC(O)COC(=O)C 62a_200000139349_100000688953 [0,1,0,0,0,0|1,0,2]=4 6416 B12R0.255 C/C=C/COCC(O)COC(=O)C 34a_100016270725_200000139349 [0,1,0,0,0,0|1,0,2]=4 6417 B12R0.255 C/C=C/CSCC(O)COC(=O)C 62a_100102629194_200000139349 [0,1,0,0,0,0|1,0,2]=4 6418 B12R0.255 C/C=C/CSCC(O)COC(=O)C 62a_200000139349_100102629194 [0,1,0,0,0,0|1,0,2]=4 6419 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,1,0,0,0,0|2,0,1]=4 6420 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,1,0,0,0,0|2,0,1]=4 6421 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,1,0,0,0,0|3,0,0]=4 6422 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,1,0,0,0,0|3,0,0]=4 6423 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,1,0,0,0,0|3,0,0]=4 6424 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,1,0,0,0,0|3,0,0]=4 6425 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,1,0,0,0,0|3,0,0]=4 6426 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,1,0,0,0,0|3,0,0]=4 6427 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,1,0,0,0,0|3,0,0]=4 6428 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,1,0,0,0,0|3,0,0]=4 6429 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,1,0,0,0,0|3,0,0]=4 6430 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,1,0,0,0,0|3,0,0]=4 6431 B12R0.255 C=CCCCCC(=O)COC(=O)C 1458a_100000183556_100011215482 [0,1,0,0,0,0|0,0,3]=4 6432 B12R0.255 C=CCCCCN(C)COC(=O)C 269982a_100012000471_100000076356 [0,1,0,0,0,0|1,0,2]=4 6433 B12R0.255 C=CCCCNC(C)COC(=O)C 270004a_100000700776_100000000629 [0,1,0,0,0,0|1,0,2]=4 6434 B12R0.255 C=CCCOCC(O)COC(=O)C 34a_100011205117_200000139349 [0,1,0,0,0,0|1,0,2]=4 6435 B12R0.255 C=CCCSCC(O)COC(=O)C 62a_100000754431_200000139349 [0,1,0,0,0,0|1,0,2]=4 6436 B12R0.255 C=CCCSCC(O)COC(=O)C 62a_200000139349_100000754431 [0,1,0,0,0,0|1,0,2]=4 6437 B12R0.255 CC#CCNCC(O)COC(=O)C 34a_100000685387_200000139349 [0,1,0,0,0,0|1,0,2]=4 6438 B12R0.255 CC#CCOCC(O)COC(=O)C 34a_100000761923_200000139349 [0,1,0,0,0,0|1,0,2]=4 6439 B12R0.255 CC#CCSCC(O)COC(=O)C 62a_100000748600_200000139349 [0,1,0,0,0,0|1,0,2]=4 6440 B12R0.255 CC#CCSCC(O)COC(=O)C 62a_200000139349_100000748600 [0,1,0,0,0,0|1,0,2]=4 6441 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,1,0,0,0,0|3,0,0]=4 6442 B12R0.255 CC(=O)NCC(=O)CCCCCF 1458a_100000194580_100000729378 [0,1,0,0,0,0|2,0,1]=4 6443 B12R0.255 CC(=O)NCC(=O)CCCCCO 1458a_100000194580_100000746330 [0,1,0,0,0,0|2,0,1]=4 6444 B12R0.255 CC(=O)OCC(=O)CCCCC#N 1458a_100000183556_100000211819 [0,1,0,0,0,0|1,0,2]=4 6445 B12R0.255 CC(=O)OCC(=O)CCCCCF 1458a_100000183556_100000729378 [0,1,0,0,0,0|1,0,1]=3 6446 B12R0.255 CC(=O)OCC(=O)CCCCCO 1458a_100000183556_100000746330 [0,1,0,0,0,0|1,0,1]=3 6447 B12R0.255 CC(=O)OCC(=O)CCOCCO 1458a_100000183556_100011215305 [0,1,0,0,0,0|2,0,1]=4 6448 B12R0.255 CC(=O)OCC(=O)CNCCCF 34a_100015189416_100000036994 [0,1,0,0,0,0|2,0,1]=4 6449 B12R0.255 CC(=O)OCC(=O)COCCCBr 34a_100011217188_100000036994 [0,1,0,0,0,0|2,0,1]=4 6450 B12R0.255 CC(=O)OCC(=O)COCCCCl 34a_100000230001_100000036994 [0,1,0,0,0,0|2,0,1]=4 6451 B12R0.255 CC(=O)OCC(=O)COCCCF 34a_100000759539_100000036994 [0,1,0,0,0,0|2,0,1]=4 6452 B12R0.255 CC(=O)OCC(=O)COCCCN 34a_100000182051_100000036994 [0,1,0,0,0,0|2,0,1]=4 6453 B12R0.255 CC(=O)OCC(=O)CSCCCF 62a_100000036994_100011934791 [0,1,0,0,0,0|2,0,1]=4 6454 B12R0.255 CC(=O)OCC(=O)CSCCCF 62a_100011934791_100000036994 [0,1,0,0,0,0|2,0,1]=4 6455 B12R0.255 CC(=O)OCC(=O)CSCCCO 62a_100000036994_100011215043 [0,1,0,0,0,0|2,0,1]=4 6456 B12R0.255 CC(=O)OCC(=O)CSCCCO 62a_100011215043_100000036994 [0,1,0,0,0,0|2,0,1]=4 6457 B12R0.255 CC(=O)OCC(=O)NCCCCO 240690a_100000750430_100000183556 [0,1,0,0,0,0|2,0,1]=4 6458 B12R0.255 CC(=O)OCC(=O)NCCCCO 527a_100000750430_100000183556 [0,1,0,0,0,0|2,0,1]=4 6459 B12R0.255 CC(=O)OCC(C)NCCCCO 270004a_100000750430_100000000629 [0,1,0,0,0,0|2,0,0]=3 6460 B12R0.255 CC(=O)OCC(O)CNCCCF 34a_100015189416_200000139349 [0,1,0,0,0,0|2,0,0]=3 6461 B12R0.255 CC(=O)OCC(O)COCCCBr 34a_100011217188_200000139349 [0,1,0,0,0,0|2,0,0]=3 6462 B12R0.255 CC(=O)OCC(O)COCCCCl 34a_100000230001_200000139349 [0,1,0,0,0,0|2,0,0]=3 6463 B12R0.255 CC(=O)OCC(O)COCCCF 34a_100000759539_200000139349 [0,1,0,0,0,0|2,0,0]=3 6464 B12R0.255 CC(=O)OCC(O)COCCCN 34a_100000182051_200000139349 [0,1,0,0,0,0|2,0,0]=3 6465 B12R0.255 CC(=O)OCC(O)COCCON 34a_100000700252_200000139349 [0,1,0,0,0,0|3,0,0]=4 6466 B12R0.255 CC(=O)OCC(O)CSCCC#N 62a_100011215226_200000139349 [0,1,0,0,0,0|2,0,1]=4 6467 B12R0.255 CC(=O)OCC(O)CSCCC#N 62a_200000139349_100011215226 [0,1,0,0,0,0|2,0,1]=4 6468 B12R0.255 CC(=O)OCC(O)CSCCCF 62a_100011934791_200000139349 [0,1,0,0,0,0|2,0,0]=3 6469 B12R0.255 CC(=O)OCC(O)CSCCCF 62a_200000139349_100011934791 [0,1,0,0,0,0|2,0,0]=3 6470 B12R0.255 CC(=O)OCC(O)CSCCCO 62a_100011215043_200000139349 [0,1,0,0,0,0|2,0,0]=3 6471 B12R0.255 CC(=O)OCC(O)CSCCCO 62a_200000139349_100011215043 [0,1,0,0,0,0|2,0,0]=3 6472 B12R0.255 CC(=O)OCN(C)CCCCCO 269982a_100000722520_100000076356 [0,1,0,0,0,0|2,0,0]=3 6473 B12R0.255 CC(=O)OCN(C)CCOCCO 269982a_100000228057_100000076356 [0,1,0,0,0,0|3,0,0]=4 6474 B12R0.255 CC(=O)SCC(=O)CCCCCF 1458a_100000049016_100000729378 [0,1,0,0,0,0|1,1,1]=4 6475 B12R0.255 CC(=O)SCC(=O)CCCCCO 1458a_100000049016_100000746330 [0,1,0,0,0,0|1,1,1]=4 6476 B12R0.255 CC(=O)SCC(C)CNCCCF 2230a_100015189416_200000116872 [0,1,0,0,0,0|2,1,0]=4 6477 B12R0.255 CC(=O)SCC(C)CNCCCF 34a_100015189416_200000116872 [0,1,0,0,0,0|2,1,0]=4 6478 B12R0.255 CC(=O)SCC(C)COCCCBr 34a_100011217188_200000116872 [0,1,0,0,0,0|2,1,0]=4 6479 B12R0.255 CC(=O)SCC(C)COCCCCl 34a_100000230001_200000116872 [0,1,0,0,0,0|2,1,0]=4 6480 B12R0.255 CC(=O)SCC(C)COCCCF 34a_100000759539_200000116872 [0,1,0,0,0,0|2,1,0]=4 6481 B12R0.255 CC(=O)SCC(C)COCCCN 34a_100000182051_200000116872 [0,1,0,0,0,0|2,1,0]=4 6482 B12R0.255 CC(=O)SCC(C)CSCCCF 62a_100011934791_200000116872 [0,1,0,0,0,0|2,1,0]=4 6483 B12R0.255 CC(=O)SCC(C)CSCCCF 62a_200000116872_100011934791 [0,1,0,0,0,0|2,1,0]=4 6484 B12R0.255 CC(=O)SCC(C)CSCCCO 62a_100011215043_200000116872 [0,1,0,0,0,0|2,1,0]=4 6485 B12R0.255 CC(=O)SCC(C)CSCCCO 62a_200000116872_100011215043 [0,1,0,0,0,0|2,1,0]=4 6486 B12R0.255 CC/C=C\CCC(=O)COC(=O)C 1458a_100000183556_100015370543 [0,1,0,0,0,0|0,0,3]=4 6487 B12R0.255 CC=CCSCC(O)COC(=O)C 62a_100000070051_200000139349 [0,1,0,0,0,0|1,0,2]=4 6488 B12R0.255 CC=CCSCC(O)COC(=O)C 62a_200000139349_100000070051 [0,1,0,0,0,0|1,0,2]=4 6489 B12R0.255 CCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210826 [0,1,0,0,0,0|2,0,1]=4 6490 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,1,0,0,0,0|2,0,1]=4 6491 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,1,0,0,0,0|2,0,1]=4 6492 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,1,0,0,0,0|2,0,1]=4 6493 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,1,0,0,0,0|1,0,1]=3 6494 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,1,0,0,0,0|2,0,1]=4 6495 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,1,0,0,0,0|0,0,1]=2 6496 B12R0.255 CCCCCCC(=O)COC(C)C 1458a_100000745533_100000210757 [0,1,0,0,0,0|1,0,2]=4 6497 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,1,0,0,0,0|0,1,1]=3 6498 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,1,0,0,0,0|2,0,1]=4 6499 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,1,0,0,0,0|2,0,1]=4 6500 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,1,0,0,0,0|3,0,0]=4 6501 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,1,0,0,0,0|3,0,0]=4 6502 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,1,0,0,0,0|3,0,0]=4 6503 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,1,0,0,0,0|3,0,0]=4 6504 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,1,0,0,0,0|3,0,0]=4 6505 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,1,0,0,0,0|2,0,0]=3 6506 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,1,0,0,0,0|3,0,0]=4 6507 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,1,0,0,0,0|3,0,0]=4 6508 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,1,0,0,0,0|3,0,0]=4 6509 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,1,0,0,0,0|3,0,0]=4 6510 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,1,0,0,0,0|3,0,0]=4 6511 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,1,0,0,0,0|3,0,0]=4 6512 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,1,0,0,0,0|3,0,0]=4 6513 B12R0.255 CCCCCCN(C)CC=C(C)C 2230a_106256046315_100000761012 [0,1,0,0,0,0|3,0,0]=4 6514 B12R0.255 CCCCCCN(C)CC=C(C)C 269982a_106256046315_100000761012 [0,1,0,0,0,0|3,0,0]=4 6515 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,1,0,0,0,0|2,0,0]=3 6516 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,1,0,0,0,0|3,0,0]=4 6517 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,1,0,0,0,0|3,0,0]=4 6518 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,1,0,0,0,0|3,0,0]=4 6519 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,1,0,0,0,0|1,0,0]=2 6520 B12R0.255 CCCCCCN(C)COC(C)C 2230a_106256046315_100000709892 [0,1,0,0,0,0|2,0,1]=4 6521 B12R0.255 CCCCCCN(C)COC(C)C 269982a_106256046315_100000709892 [0,1,0,0,0,0|2,0,1]=4 6522 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 6523 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 6524 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 6525 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,1,0,0,0,0|2,0,1]=4 6526 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,1,0,0,0,0|1,0,1]=3 6527 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,1,0,0,0,0|1,0,1]=3 6528 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,1,0,0,0,0|1,0,1]=3 6529 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,1,0,0,0,0|1,1,1]=4 6530 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,1,0,0,0,0|1,1,1]=4 6531 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,1,0,0,0,0|1,1,1]=4 6532 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,1,0,0,0,0|1,0,0]=2 6533 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,1,0,0,0,0|1,1,0]=3 6534 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,1,0,0,0,0|1,1,0]=3 6535 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,1,0,0,0,0|1,0,0]=2 6536 B12R0.255 CCCCNN=C(C)COC(=O)C 4a_100025702795_100000000629 [0,1,0,0,0,0|2,0,1]=4 6537 B12R0.255 CCCCNNC(=O)COC(=O)C 22a_100025702795_100000183556 [0,1,0,0,0,0|2,0,1]=4 6538 B12R0.255 CCCCOCC(=O)CNC(=O)C 1458a_100000194580_100011995733 [0,1,0,0,0,0|2,0,1]=4 6539 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,1,0,0,0,0|1,0,1]=3 6540 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,1,0,0,0,0|1,0,1]=3 6541 B12R0.255 CCCCOCC(=O)CSC(=O)C 1458a_100000049016_100011995733 [0,1,0,0,0,0|1,1,1]=4 6542 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,1,0,0,0,0|1,1,0]=3 6543 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,1,0,0,0,0|1,1,0]=3 6544 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,1,0,0,0,0|1,0,0]=2 6545 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,1,0,0,0,0|1,0,0]=2 6546 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000036994_100000210210 [0,1,0,0,0,0|1,0,1]=3 6547 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000210211_100000036994 [0,1,0,0,0,0|1,0,1]=3 6548 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,1,0,0,0,0|1,1,0]=3 6549 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,1,0,0,0,0|1,1,0]=3 6550 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,1,0,0,0,0|1,0,0]=2 6551 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,1,0,0,0,0|1,0,0]=2 6552 B12R0.255 CCCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215938 [0,1,0,0,0,0|2,0,1]=4 6553 B12R0.255 CCCOCCC(=O)COC(=O)C 1458a_100000183556_100011215938 [0,1,0,0,0,0|1,0,1]=3 6554 B12R0.255 CCCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215938 [0,1,0,0,0,0|1,1,1]=4 6555 B12R0.255 CCOCCCC(=O)CNC(=O)C 1458a_100000194580_100012232248 [0,1,0,0,0,0|2,0,1]=4 6556 B12R0.255 CCOCCCC(=O)COC(=O)C 1458a_100000183556_100012232248 [0,1,0,0,0,0|1,0,1]=3 6557 B12R0.255 CCOCCCC(=O)CSC(=O)C 1458a_100000049016_100012232248 [0,1,0,0,0,0|1,1,1]=4 6558 B12R0.255 CCOCCNC(=O)COC(=O)C 1626a_102516460346_100000183556 [0,1,0,0,0,0|2,0,1]=4 6559 B12R0.255 CCOCCNC(=O)COC(=O)C 240690a_100011200944_100000183556 [0,1,0,0,0,0|2,0,1]=4 6560 B12R0.255 CCOCCNC(=O)COC(=O)C 527a_100011200944_100000183556 [0,1,0,0,0,0|2,0,1]=4 6561 B12R0.255 CCOCCNC(C)COC(=O)C 270004a_102516460346_100000000629 [0,1,0,0,0,0|2,0,0]=3 6562 B12R0.255 CCOCSCC(=O)COC(=O)C 62a_100000036994_100000739092 [0,1,0,0,0,0|2,0,1]=4 6563 B12R0.255 CCOCSCC(=O)COC(=O)C 62a_100000739092_100000036994 [0,1,0,0,0,0|2,0,1]=4 6564 B12R0.255 CCOCSCC(C)CSC(=O)C 62a_100000739092_200000116872 [0,1,0,0,0,0|2,1,0]=4 6565 B12R0.255 CCOCSCC(C)CSC(=O)C 62a_200000116872_100000739092 [0,1,0,0,0,0|2,1,0]=4 6566 B12R0.255 CCOCSCC(O)COC(=O)C 62a_100000739092_200000139349 [0,1,0,0,0,0|2,0,0]=3 6567 B12R0.255 CCOCSCC(O)COC(=O)C 62a_200000139349_100000739092 [0,1,0,0,0,0|2,0,0]=3 6568 B12R0.255 CCSCCNC(=O)COC(=O)C 1626a_100000106463_100000183556 [0,1,0,0,0,0|2,0,1]=4 6569 B12R0.255 CCSCCNC(=O)COC(=O)C 240690a_100000106463_100000183556 [0,1,0,0,0,0|2,0,1]=4 6570 B12R0.255 CCSCCNC(=O)COC(=O)C 527a_100000106463_100000183556 [0,1,0,0,0,0|2,0,1]=4 6571 B12R0.255 CCSCCNC(C)COC(=O)C 270004a_100000106463_100000000629 [0,1,0,0,0,0|2,0,0]=3 6572 B12R0.255 COCCCCC(=O)CNC(=O)C 1458a_100000194580_100000755781 [0,1,0,0,0,0|2,0,1]=4 6573 B12R0.255 COCCCCC(=O)COC(=O)C 1458a_100000183556_100000755781 [0,1,0,0,0,0|1,0,1]=3 6574 B12R0.255 COCCCCC(=O)CSC(=O)C 1458a_100000049016_100000755781 [0,1,0,0,0,0|1,1,1]=4 6575 B12R0.255 COCCCNC(=O)COC(=O)C 1626a_100150723488_100000183556 [0,1,0,0,0,0|2,0,1]=4 6576 B12R0.255 COCCCNC(=O)COC(=O)C 240690a_100150723488_100000183556 [0,1,0,0,0,0|2,0,1]=4 6577 B12R0.255 COCCCNC(=O)COC(=O)C 527a_100150723488_100000183556 [0,1,0,0,0,0|2,0,1]=4 6578 B12R0.255 COCCCNC(C)COC(=O)C 270004a_100150723488_100000000629 [0,1,0,0,0,0|2,0,0]=3 6579 B12R0.255 COCCNCC(C)CSC(=O)C 2230a_100000209980_200000116872 [0,1,0,0,0,0|2,1,0]=4 6580 B12R0.255 COCCOCC(=O)COC(=O)C 34a_100000210237_100000036994 [0,1,0,0,0,0|2,0,1]=4 6581 B12R0.255 COCCOCC(C)CSC(=O)C 34a_100000210237_200000116872 [0,1,0,0,0,0|2,1,0]=4 6582 B12R0.255 COCCOCC(O)COC(=O)C 34a_100000210237_200000139349 [0,1,0,0,0,0|2,0,0]=3 6583 B12R0.255 COCCSCC(=O)COC(=O)C 62a_100000036994_100000233755 [0,1,0,0,0,0|2,0,1]=4 6584 B12R0.255 COCCSCC(=O)COC(=O)C 62a_100000233755_100000036994 [0,1,0,0,0,0|2,0,1]=4 6585 B12R0.255 COCCSCC(C)CSC(=O)C 62a_100000233755_200000116872 [0,1,0,0,0,0|2,1,0]=4 6586 B12R0.255 COCCSCC(C)CSC(=O)C 62a_200000116872_100000233755 [0,1,0,0,0,0|2,1,0]=4 6587 B12R0.255 COCCSCC(O)COC(=O)C 62a_100000233755_200000139349 [0,1,0,0,0,0|2,0,0]=3 6588 B12R0.255 COCCSCC(O)COC(=O)C 62a_200000139349_100000233755 [0,1,0,0,0,0|2,0,0]=3 6589 B12R0.255 CSCCCNC(=O)COC(=O)C 1626a_100000749238_100000183556 [0,1,0,0,0,0|2,0,1]=4 6590 B12R0.255 CSCCCNC(=O)COC(=O)C 240690a_100000749238_100000183556 [0,1,0,0,0,0|2,0,1]=4 6591 B12R0.255 CSCCCNC(=O)COC(=O)C 527a_100000749238_100000183556 [0,1,0,0,0,0|2,0,1]=4 6592 B12R0.255 CSCCCNC(C)COC(=O)C 270004a_100000749238_100000000629 [0,1,0,0,0,0|2,0,0]=3 6593 B12R0.255 CSCCNCC(C)CSC(=O)C 2230a_100020590264_200000116872 [0,1,0,0,0,0|2,1,0]=4 6594 B12R0.255 CSCCOCC(=O)COC(=O)C 34a_100000230434_100000036994 [0,1,0,0,0,0|2,0,1]=4 6595 B12R0.255 CSCCOCC(C)CSC(=O)C 34a_100000230434_200000116872 [0,1,0,0,0,0|2,1,0]=4 6596 B12R0.255 CSCCOCC(C)CSC(=O)C 7a_100000230434_200000116872 [0,1,0,0,0,0|2,1,0]=4 6597 B12R0.255 CSCCOCC(O)COC(=O)C 34a_100000230434_200000139349 [0,1,0,0,0,0|2,0,0]=3 6598 B12R0.255 CSCCOCC(O)COC(=O)C 7a_100000230434_200000139349 [0,1,0,0,0,0|2,0,0]=3 6599 B12R0.255 CSCCSCC(=O)COC(=O)C 62a_100000036994_100000751147 [0,1,0,0,0,0|2,0,1]=4 6600 B12R0.255 CSCCSCC(=O)COC(=O)C 62a_100000212216_100000036994 [0,1,0,0,0,0|2,0,1]=4 6601 B12R0.255 CSCCSCC(C)CSC(=O)C 62a_100000212216_200000116872 [0,1,0,0,0,0|2,1,0]=4 6602 B12R0.255 CSCCSCC(C)CSC(=O)C 62a_200000116872_100000751147 [0,1,0,0,0,0|2,1,0]=4 6603 B12R0.255 CSCCSCC(O)COC(=O)C 62a_100000212216_200000139349 [0,1,0,0,0,0|2,0,0]=3 6604 B12R0.255 CSCCSCC(O)COC(=O)C 62a_200000139349_100000751147 [0,1,0,0,0,0|2,0,0]=3 6605 B12R0.268 C=C(Br)CCOCCCOC(=O)C 34a_100009813270_100000042594 [0,1,0,0,0,0|1,0,2]=4 6606 B12R0.268 C=C(C)CCNCCCNC(=O)C 34a_100000736810_100000730704 [0,1,0,0,0,0|2,0,1]=4 6607 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,1,0,0,0,0|2,0,1]=4 6608 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,1,0,0,0,0|3,0,0]=4 6609 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,1,0,0,0,0|3,0,0]=4 6610 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,1,0,0,0,0|3,0,0]=4 6611 B12R0.268 C=C(C)CCOCCCNC(=O)C 34a_100000752032_100000730704 [0,1,0,0,0,0|2,0,1]=4 6612 B12R0.268 C=C(C)CCOCCCOC(=O)C 34a_100000764851_100000042594 [0,1,0,0,0,0|1,0,1]=3 6613 B12R0.268 C=C(C)CCOCCCOC(=S)C 34a_100000764851_200135323944 [0,1,0,0,0,0|1,1,1]=4 6614 B12R0.268 C=C(C)CCOCCCSC(=O)C 34a_100000764851_100000038929 [0,1,0,0,0,0|1,1,1]=4 6615 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,1,0,0,0,0|2,0,1]=4 6616 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,1,0,0,0,0|2,0,1]=4 6617 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [0,1,0,0,0,0|3,0,0]=4 6618 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [0,1,0,0,0,0|3,0,0]=4 6619 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000042594_100000730704 [0,1,0,0,0,0|1,0,1]=3 6620 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000730704_100000042594 [0,1,0,0,0,0|1,0,1]=3 6621 B12R0.268 C=C(C)CCSCCCOC(=S)C 62a_100000730704_200135323944 [0,1,0,0,0,0|1,1,1]=4 6622 B12R0.268 C=C(C)CCSCCCOC(=S)C 62a_200135323944_100000730704 [0,1,0,0,0,0|1,1,1]=4 6623 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000038929_100000730704 [0,1,0,0,0,0|1,1,1]=4 6624 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000730704_100000038929 [0,1,0,0,0,0|1,1,1]=4 6625 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [0,1,0,0,0,0|3,0,0]=4 6626 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [0,1,0,0,0,0|3,0,0]=4 6627 B12R0.268 C=C(C)CNCCCCNC(=O)C 2230a_200011368371_100000748629 [0,1,0,0,0,0|2,0,1]=4 6628 B12R0.268 C=C(C)CNCCCCNC(=O)C 34a_200011368371_100000748629 [0,1,0,0,0,0|2,0,1]=4 6629 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [0,1,0,0,0,0|3,0,0]=4 6630 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [0,1,0,0,0,0|3,0,0]=4 6631 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [0,1,0,0,0,0|3,0,0]=4 6632 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000073216_100000748629 [0,1,0,0,0,0|1,0,1]=3 6633 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000210245_100000033659 [0,1,0,0,0,0|1,0,1]=3 6634 B12R0.268 C=C(C)COCCCCOC(=O)C 7a_100000073216_100000748629 [0,1,0,0,0,0|1,0,1]=3 6635 B12R0.268 C=C(C)COCCCCSC(=O)C 34a_100000210245_200010402107 [0,1,0,0,0,0|1,1,1]=4 6636 B12R0.268 C=C(C)COCOCCOC(=O)C 34a_100000210245_100000076355 [0,1,0,0,0,0|2,0,1]=4 6637 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [0,1,0,0,0,0|3,0,0]=4 6638 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [0,1,0,0,0,0|3,0,0]=4 6639 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000033659_100000211660 [0,1,0,0,0,0|1,0,1]=3 6640 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000748629_100000033659 [0,1,0,0,0,0|1,0,1]=3 6641 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_100000748629_200010402107 [0,1,0,0,0,0|1,1,1]=4 6642 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_200010402107_100000211660 [0,1,0,0,0,0|1,1,1]=4 6643 B12R0.268 C=C(C)CSCOCCOC(=O)C 62a_100000076355_100000211660 [0,1,0,0,0,0|2,0,1]=4 6644 B12R0.268 C=C(C)CSCOCCOC(=O)C 62a_100000748629_100000076355 [0,1,0,0,0,0|2,0,1]=4 6645 B12R0.268 C=C(F)COCCCCOC(=O)C 34a_100000073216_100009893438 [0,1,0,0,0,0|1,0,2]=4 6646 B12R0.268 C=C(F)COCCCCOC(=O)C 34a_200010262243_100000033659 [0,1,0,0,0,0|1,0,2]=4 6647 B12R0.268 C=C(F)COCCCCOC(=O)C 7a_100000073216_100000042424 [0,1,0,0,0,0|1,0,2]=4 6648 B12R0.268 C=C(F)CSCCCCOC(=O)C 62a_100000033659_100000042424 [0,1,0,0,0,0|1,0,2]=4 6649 B12R0.268 C=C(F)CSCCCCOC(=O)C 62a_100000042424_100000033659 [0,1,0,0,0,0|1,0,2]=4 6650 B12R0.268 CC(=CCCNCCCC(C)C)C 2230a_200000737386_100011217483 [0,1,0,0,0,0|3,0,0]=4 6651 B12R0.268 CC(=CCCNCCCC(C)C)C 34a_200000737386_100011217483 [0,1,0,0,0,0|3,0,0]=4 6652 B12R0.268 CC(=CCCOCCCC(C)C)C 34a_100000210774_100011217483 [0,1,0,0,0,0|3,0,0]=4 6653 B12R0.268 CC(=CCCOCCCC(C)C)C 7a_100000210774_100011217483 [0,1,0,0,0,0|3,0,0]=4 6654 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011214892_100011217483 [0,1,0,0,0,0|3,0,0]=4 6655 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011217483_100011214892 [0,1,0,0,0,0|3,0,0]=4 6656 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_100011217483_200000718107 [0,1,0,0,0,0|3,0,0]=4 6657 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_200000718107_100011217483 [0,1,0,0,0,0|3,0,0]=4 6658 B12R0.268 CC(=CCNCCCCC(C)C)C 34a_100000718196_100011216152 [0,1,0,0,0,0|3,0,0]=4 6659 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100000753907_100011216152 [0,1,0,0,0,0|3,0,0]=4 6660 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100011214890_100000761012 [0,1,0,0,0,0|3,0,0]=4 6661 B12R0.268 CC(=CCOCCCCC(C)C)C 7a_100011214890_100000761012 [0,1,0,0,0,0|3,0,0]=4 6662 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100000761012_100011216152 [0,1,0,0,0,0|3,0,0]=4 6663 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100011216152_100000761012 [0,1,0,0,0,0|3,0,0]=4 6664 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,1,0,0,0,0|2,0,1]=4 6665 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,1,0,0,0,0|2,0,1]=4 6666 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,1,0,0,0,0|2,0,0]=3 6667 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,1,0,0,0,0|2,0,0]=3 6668 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,1,0,0,0,0|2,0,0]=3 6669 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,1,0,0,0,0|3,0,0]=4 6670 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,1,0,0,0,0|2,0,0]=3 6671 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,1,0,0,0,0|2,0,1]=4 6672 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,1,0,0,0,0|2,0,1]=4 6673 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,1,0,0,0,0|2,0,0]=3 6674 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,1,0,0,0,0|2,0,0]=3 6675 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,1,0,0,0,0|2,0,0]=3 6676 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,1,0,0,0,0|2,0,0]=3 6677 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [0,1,0,0,0,0|3,0,0]=4 6678 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000076356_100000735457 [0,1,0,0,0,0|1,0,1]=3 6679 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000735457_100000076356 [0,1,0,0,0,0|1,0,1]=3 6680 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [0,1,0,0,0,0|3,0,0]=4 6681 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [0,1,0,0,0,0|3,0,0]=4 6682 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,1,0,0,0,0|2,0,0]=3 6683 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [0,1,0,0,0,0|3,0,0]=4 6684 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [0,1,0,0,0,0|3,0,0]=4 6685 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,1,0,0,0,0|2,0,1]=4 6686 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,1,0,0,0,0|2,0,1]=4 6687 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,1,0,0,0,0|2,0,0]=3 6688 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,1,0,0,0,0|2,0,0]=3 6689 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,1,0,0,0,0|2,0,0]=3 6690 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,1,0,0,0,0|2,0,0]=3 6691 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,1,0,0,0,0|2,0,0]=3 6692 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,1,0,0,0,0|2,0,0]=3 6693 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,1,0,0,0,0|3,0,0]=4 6694 B12R0.268 CC(=O)CCCOCCNC(=O)C 34a_100000158858_100000685027 [0,1,0,0,0,0|2,0,1]=4 6695 B12R0.268 CC(=O)CCCOCCNC(=O)C 7a_100000759063_100000189650 [0,1,0,0,0,0|2,0,1]=4 6696 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,1,0,0,0,0|3,0,0]=4 6697 B12R0.268 CC(=O)CCCOCCOC(=O)C 34a_100000759063_100009814007 [0,1,0,0,0,0|1,0,1]=3 6698 B12R0.268 CC(=O)CCCOCCOC(=O)C 7a_100000759063_100009814007 [0,1,0,0,0,0|1,0,1]=3 6699 B12R0.268 CC(=O)CCCOCCOC(=O)N 34a_100000759063_200011214921 [0,1,0,0,0,0|2,0,1]=4 6700 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000759063_200011214921 [0,1,0,0,0,0|2,0,1]=4 6701 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000766696_100011215641 [0,1,0,0,0,0|2,0,1]=4 6702 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,1,0,0,0,0|3,0,0]=4 6703 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,1,0,0,0,0|3,0,0]=4 6704 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,1,0,0,0,0|3,0,0]=4 6705 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,1,0,0,0,0|3,0,0]=4 6706 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,1,0,0,0,0|3,0,0]=4 6707 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,1,0,0,0,0|3,0,0]=4 6708 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,1,0,0,0,0|3,0,0]=4 6709 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,1,0,0,0,0|3,0,0]=4 6710 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,1,0,0,0,0|2,0,1]=4 6711 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,1,0,0,0,0|2,0,0]=3 6712 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,1,0,0,0,0|2,0,0]=3 6713 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,1,0,0,0,0|2,0,0]=3 6714 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,1,0,0,0,0|2,0,0]=3 6715 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [0,1,0,0,0,0|3,0,0]=4 6716 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [0,1,0,0,0,0|2,0,1]=4 6717 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [0,1,0,0,0,0|2,0,1]=4 6718 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [0,1,0,0,0,0|1,0,1]=3 6719 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [0,1,0,0,0,0|1,0,1]=3 6720 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_100011215641_200011214921 [0,1,0,0,0,0|2,0,1]=4 6721 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_200011214921_100011215641 [0,1,0,0,0,0|2,0,1]=4 6722 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [0,1,0,0,0,0|3,0,0]=4 6723 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [0,1,0,0,0,0|3,0,0]=4 6724 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [0,1,0,0,0,0|3,0,0]=4 6725 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [0,1,0,0,0,0|3,0,0]=4 6726 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,1,0,0,0,0|2,0,0]=3 6727 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,1,0,0,0,0|2,0,0]=3 6728 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,1,0,0,0,0|2,0,0]=3 6729 B12R0.268 CC(=O)CCOCCCOC(=O)C 34a_100000759926_100000042594 [0,1,0,0,0,0|1,0,1]=3 6730 B12R0.268 CC(=O)CCOCCCOC(=O)C 7a_100000759926_100000042594 [0,1,0,0,0,0|1,0,1]=3 6731 B12R0.268 CC(=O)CCOCCCOC(=S)C 34a_100000759926_200135323944 [0,1,0,0,0,0|1,1,1]=4 6732 B12R0.268 CC(=O)CCOCCCOC(=S)C 7a_100000759926_200135323944 [0,1,0,0,0,0|1,1,1]=4 6733 B12R0.268 CC(=O)CCOCCCSC(=O)C 34a_100000759926_100000038929 [0,1,0,0,0,0|1,1,1]=4 6734 B12R0.268 CC(=O)CCOCCCSC(=O)C 7a_100000759926_100000038929 [0,1,0,0,0,0|1,1,1]=4 6735 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,1,0,0,0,0|3,0,0]=4 6736 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,1,0,0,0,0|3,0,0]=4 6737 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,1,0,0,0,0|2,0,0]=3 6738 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,1,0,0,0,0|2,0,0]=3 6739 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,1,0,0,0,0|3,0,0]=4 6740 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [0,1,0,0,0,0|1,0,1]=3 6741 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [0,1,0,0,0,0|1,0,1]=3 6742 B12R0.268 CC(=O)CCSCCCOC(=S)C 62a_100000053229_200135323944 [0,1,0,0,0,0|1,1,1]=4 6743 B12R0.268 CC(=O)CCSCCCOC(=S)C 62a_200135323944_100000053229 [0,1,0,0,0,0|1,1,1]=4 6744 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000038929_100000053229 [0,1,0,0,0,0|1,1,1]=4 6745 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000053229_100000038929 [0,1,0,0,0,0|1,1,1]=4 6746 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,1,0,0,0,0|2,0,0]=3 6747 B12R0.268 CC(=O)COCCCCOC(=O)C 34a_100000211253_100000033659 [0,1,0,0,0,0|1,0,1]=3 6748 B12R0.268 CC(=O)COCCCCSC(=O)C 34a_100000211253_200010402107 [0,1,0,0,0,0|1,1,1]=4 6749 B12R0.268 CC(=O)COCOCCOC(=O)C 34a_100000211253_100000076355 [0,1,0,0,0,0|2,0,1]=4 6750 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,1,0,0,0,0|1,0,0]=2 6751 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,1,0,0,0,0|1,0,0]=2 6752 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,1,0,0,0,0|1,0,0]=2 6753 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,1,0,0,0,0|1,0,0]=2 6754 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,1,0,0,0,0|2,0,0]=3 6755 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [0,1,0,0,0,0|2,0,1]=4 6756 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [0,1,0,0,0,0|2,0,1]=4 6757 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [0,1,0,0,0,0|2,0,1]=4 6758 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,1,0,0,0,0|2,0,0]=3 6759 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,1,0,0,0,0|2,0,0]=3 6760 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,1,0,0,0,0|2,0,0]=3 6761 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,1,0,0,0,0|2,0,0]=3 6762 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,1,0,0,0,0|2,0,0]=3 6763 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,1,0,0,0,0|2,0,0]=3 6764 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,1,0,0,0,0|2,0,0]=3 6765 B12R0.268 CC(=O)NCCCCNCC(F)F 2230a_200011368371_100011934356 [0,1,0,0,0,0|3,0,0]=4 6766 B12R0.268 CC(=O)NCCCCNCC(F)F 34a_200011368371_100011934356 [0,1,0,0,0,0|3,0,0]=4 6767 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,1,0,0,0,0|2,0,0]=3 6768 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,1,0,0,0,0|2,0,0]=3 6769 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,1,0,0,0,0|2,0,0]=3 6770 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,1,0,0,0,0|2,0,0]=3 6771 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,1,0,0,0,0|2,0,0]=3 6772 B12R0.268 CC(=O)NCCCNCOC(=O)C 34a_100000736810_100009813279 [0,1,0,0,0,0|2,0,1]=4 6773 B12R0.268 CC(=O)NCCCNCOC(C)C 34a_100000736810_100000709892 [0,1,0,0,0,0|3,0,0]=4 6774 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,1,0,0,0,0|2,0,0]=3 6775 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,1,0,0,0,0|2,0,0]=3 6776 B12R0.268 CC(=O)NCCCOCOC(=O)C 34a_100000752032_100009813279 [0,1,0,0,0,0|2,0,1]=4 6777 B12R0.268 CC(=O)NCCCOCOC(C)C 34a_100000752032_100000709892 [0,1,0,0,0,0|3,0,0]=4 6778 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,1,0,0,0,0|2,0,0]=3 6779 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,1,0,0,0,0|2,0,0]=3 6780 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,1,0,0,0,0|2,0,0]=3 6781 B12R0.268 CC(=O)NCCNCCCS(=O)C 2230a_200000753449_100000189650 [0,1,0,0,0,0|3,0,0]=4 6782 B12R0.268 CC(=O)NCCNCCOC(C)C 2230a_100000209853_100000211751 [0,1,0,0,0,0|3,0,0]=4 6783 B12R0.268 CC(=O)NCCNCCOC(C)C 2230a_100000701111_100000189650 [0,1,0,0,0,0|3,0,0]=4 6784 B12R0.268 CC(=O)NCCNCCSC(C)C 2230a_100000209853_100000730970 [0,1,0,0,0,0|3,0,0]=4 6785 B12R0.268 CC(=O)NCCNCCSC(C)C 2230a_100000731138_100000189650 [0,1,0,0,0,0|3,0,0]=4 6786 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,1,0,0,0,0|2,0,0]=3 6787 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,1,0,0,0,0|2,0,0]=3 6788 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,1,0,0,0,0|2,0,0]=3 6789 B12R0.268 CC(=O)NCCOCCOC(=O)C 34a_100000158858_100009814007 [0,1,0,0,0,0|2,0,1]=4 6790 B12R0.268 CC(=O)NCCOCCOC(C)C 34a_100000158858_100000211751 [0,1,0,0,0,0|3,0,0]=4 6791 B12R0.268 CC(=O)NCCOCCOC(C)C 7a_100000211219_100000189650 [0,1,0,0,0,0|3,0,0]=4 6792 B12R0.268 CC(=O)NCCOCCSC(C)C 34a_100000158858_100000730970 [0,1,0,0,0,0|3,0,0]=4 6793 B12R0.268 CC(=O)NCCOCCSC(C)C 7a_200011212901_100000189650 [0,1,0,0,0,0|3,0,0]=4 6794 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,1,0,0,0,0|2,0,0]=3 6795 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,1,0,0,0,0|2,0,0]=3 6796 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,1,0,0,0,0|2,0,0]=3 6797 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,1,0,0,0,0|2,0,0]=3 6798 B12R0.268 CC(=O)NCCSCCCN(C)C 62a_100000189650_100000757444 [0,1,0,0,0,0|3,0,0]=4 6799 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100000189650_100009814007 [0,1,0,0,0,0|2,0,1]=4 6800 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100009814007_100000189650 [0,1,0,0,0,0|2,0,1]=4 6801 B12R0.268 CC(=O)NCCSCCOC(C)C 62a_100000189650_100000211751 [0,1,0,0,0,0|3,0,0]=4 6802 B12R0.268 CC(=O)NCCSCCOC(C)C 62a_100000211751_100000189650 [0,1,0,0,0,0|3,0,0]=4 6803 B12R0.268 CC(=O)NCCSCCSC(C)C 62a_100000189650_100000730970 [0,1,0,0,0,0|3,0,0]=4 6804 B12R0.268 CC(=O)NCCSCCSC(C)C 62a_100000730970_100000189650 [0,1,0,0,0,0|3,0,0]=4 6805 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,1,0,0,0,0|1,0,0]=2 6806 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,1,0,0,0,0|1,0,0]=2 6807 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,1,0,0,0,0|1,0,0]=2 6808 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,1,0,0,0,0|1,0,0]=2 6809 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,1,0,0,0,0|1,0,0]=2 6810 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,1,0,0,0,0|2,0,1]=4 6811 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,1,0,0,0,0|1,0,0]=2 6812 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,1,0,0,0,0|1,0,0]=2 6813 B12R0.268 CC(=O)OCCCCNCC(F)F 34a_100000765723_100000033659 [0,1,0,0,0,0|2,0,0]=3 6814 B12R0.268 CC(=O)OCCCCOCC(=O)N 34a_100000073216_100000187820 [0,1,0,0,0,0|2,0,1]=4 6815 B12R0.268 CC(=O)OCCCCOCC(=O)N 7a_100000073216_100000187820 [0,1,0,0,0,0|2,0,1]=4 6816 B12R0.268 CC(=O)OCCCCOCC(=O)[O-] 34a_100000073216_100020667443 [0,1,0,0,0,0|2,0,1]=4 6817 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,1,0,0,0,0|1,0,0]=2 6818 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,1,0,0,0,0|1,0,0]=2 6819 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,1,0,0,0,0|1,0,0]=2 6820 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,1,0,0,0,0|1,0,0]=2 6821 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,1,0,0,0,0|1,0,0]=2 6822 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,1,0,0,0,0|1,0,0]=2 6823 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,1,0,0,0,0|1,0,0]=2 6824 B12R0.268 CC(=O)OCCCCOCC(F)F 34a_100000073216_100011934356 [0,1,0,0,0,0|2,0,0]=3 6825 B12R0.268 CC(=O)OCCCCOCC(F)F 34a_100000743014_100000033659 [0,1,0,0,0,0|2,0,0]=3 6826 B12R0.268 CC(=O)OCCCCOCC(F)F 7a_100000073216_100011934356 [0,1,0,0,0,0|2,0,0]=3 6827 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,1,0,0,0,0|1,0,0]=2 6828 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,1,0,0,0,0|1,0,0]=2 6829 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,1,0,0,0,0|1,0,0]=2 6830 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,1,0,0,0,0|1,0,0]=2 6831 B12R0.268 CC(=O)OCCCCOC[N+](=O)[O-] 34a_100000073216_100000761209 [0,1,0,0,0,0|3,0,0]=4 6832 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000033659_100000747473 [0,1,0,0,0,0|2,0,1]=4 6833 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000747473_100000033659 [0,1,0,0,0,0|2,0,1]=4 6834 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100000033659_100020667443 [0,1,0,0,0,0|2,0,1]=4 6835 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100020667443_100000033659 [0,1,0,0,0,0|2,0,1]=4 6836 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,1,0,0,0,0|1,0,0]=2 6837 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,1,0,0,0,0|1,0,0]=2 6838 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,1,0,0,0,0|1,0,0]=2 6839 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,1,0,0,0,0|1,0,0]=2 6840 B12R0.268 CC(=O)OCCCCSCC(F)F 62a_100000033659_100011934356 [0,1,0,0,0,0|2,0,0]=3 6841 B12R0.268 CC(=O)OCCCCSCC(F)F 62a_100011934356_100000033659 [0,1,0,0,0,0|2,0,0]=3 6842 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,1,0,0,0,0|1,0,0]=2 6843 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,1,0,0,0,0|1,0,0]=2 6844 B12R0.268 CC(=O)OCCCCSC[N+](=O)[O-] 62a_100000033659_100000761209 [0,1,0,0,0,0|3,0,0]=4 6845 B12R0.268 CC(=O)OCCCNCC=C(C)C 34a_100000718196_100000042594 [0,1,0,0,0,0|1,0,2]=4 6846 B12R0.268 CC(=O)OCCCOCC=C(C)C 34a_100000753907_100000042594 [0,1,0,0,0,0|1,0,2]=4 6847 B12R0.268 CC(=O)OCCCOCCC(=O)N 34a_100000757172_100000042594 [0,1,0,0,0,0|2,0,1]=4 6848 B12R0.268 CC(=O)OCCCOCCC(=O)N 7a_100000757172_100000042594 [0,1,0,0,0,0|2,0,1]=4 6849 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,1,0,0,0,0|1,0,0]=2 6850 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,1,0,0,0,0|1,0,0]=2 6851 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,1,0,0,0,0|1,0,0]=2 6852 B12R0.268 CC(=O)OCCCOCCC(F)F 34a_100103093639_100000042594 [0,1,0,0,0,0|2,0,0]=3 6853 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,1,0,0,0,0|1,0,0]=2 6854 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000042594_100000761012 [0,1,0,0,0,0|1,0,2]=4 6855 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000761012_100000042594 [0,1,0,0,0,0|1,0,2]=4 6856 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000042594_100000744528 [0,1,0,0,0,0|2,0,1]=4 6857 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000744528_100000042594 [0,1,0,0,0,0|2,0,1]=4 6858 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,1,0,0,0,0|1,0,0]=2 6859 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,1,0,0,0,0|1,0,0]=2 6860 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,1,0,0,0,0|1,0,0]=2 6861 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,1,0,0,0,0|1,0,0]=2 6862 B12R0.268 CC(=O)OCCCSCCN(C)C 62a_100000042594_100000755713 [0,1,0,0,0,0|2,0,0]=3 6863 B12R0.268 CC(=O)OCCCSCOC(=O)C 62a_100000042594_100000076356 [0,1,0,0,0,0|2,0,1]=4 6864 B12R0.268 CC(=O)OCCCSCOC(=O)C 62a_100000076356_100000042594 [0,1,0,0,0,0|2,0,1]=4 6865 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000042594_100000709892 [0,1,0,0,0,0|2,0,0]=3 6866 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000709892_100000042594 [0,1,0,0,0,0|2,0,0]=3 6867 B12R0.268 CC(=O)OCCNCCCC(=O)N 34a_100000739312_100009814007 [0,1,0,0,0,0|2,0,1]=4 6868 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,1,0,0,0,0|1,0,0]=2 6869 B12R0.268 CC(=O)OCCNCCOC(C)C 34a_100000701111_100009814007 [0,1,0,0,0,0|2,0,0]=3 6870 B12R0.268 CC(=O)OCCNCCSC(C)C 34a_100000731138_100009814007 [0,1,0,0,0,0|2,0,0]=3 6871 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,1,0,0,0,0|1,0,0]=2 6872 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,1,0,0,0,0|1,0,0]=2 6873 B12R0.268 CC(=O)OCCOCCC[N+](=O)[O-] 34a_200000037920_100009814007 [0,1,0,0,0,0|3,0,0]=4 6874 B12R0.268 CC(=O)OCCOCCNC(C)C 2230a_100138425928_200000083610 [0,1,0,0,0,0|2,0,0]=3 6875 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100000224655_100009814007 [0,1,0,0,0,0|2,0,0]=3 6876 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100138425928_200000083610 [0,1,0,0,0,0|2,0,0]=3 6877 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000211219_100009814007 [0,1,0,0,0,0|2,0,0]=3 6878 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000212225_200000083610 [0,1,0,0,0,0|2,0,0]=3 6879 B12R0.268 CC(=O)OCCOCCOC(C)C 7a_100000211219_100009814007 [0,1,0,0,0,0|2,0,0]=3 6880 B12R0.268 CC(=O)OCCOCCSC(C)C 34a_200011212901_100009814007 [0,1,0,0,0,0|2,0,0]=3 6881 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_100000210206_200000083610 [0,1,0,0,0,0|2,0,0]=3 6882 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_200000083610_100000210206 [0,1,0,0,0,0|2,0,0]=3 6883 B12R0.268 CC(=O)OCCOCCSC(C)C 7a_200011212901_100009814007 [0,1,0,0,0,0|2,0,0]=3 6884 B12R0.268 CC(=O)OCCOCNCC(C)C 34a_100000210953_100000076355 [0,1,0,0,0,0|2,0,0]=3 6885 B12R0.268 CC(=O)OCCOCNCC(C)O 34a_100000210904_100000076355 [0,1,0,0,0,0|2,0,0]=3 6886 B12R0.268 CC(=O)OCCOCNCC(F)F 34a_100000765723_100000076355 [0,1,0,0,0,0|3,0,0]=4 6887 B12R0.268 CC(=O)OCCOCOCC(C)Br 34a_100012180447_100000076355 [0,1,0,0,0,0|2,0,0]=3 6888 B12R0.268 CC(=O)OCCOCOCC(C)C 34a_100000210257_100000076355 [0,1,0,0,0,0|2,0,0]=3 6889 B12R0.268 CC(=O)OCCOCOCC(C)F 34a_100015925927_100000076355 [0,1,0,0,0,0|2,0,0]=3 6890 B12R0.268 CC(=O)OCCOCOCC(F)F 34a_100000743014_100000076355 [0,1,0,0,0,0|3,0,0]=4 6891 B12R0.268 CC(=O)OCCOCOC[C@@H](C)Cl 34a_100016084084_100000076355 [0,1,0,0,0,0|2,0,0]=3 6892 B12R0.268 CC(=O)OCCOCOC[C@@H](C)N 34a_100000737577_100000076355 [0,1,0,0,0,0|2,0,0]=3 6893 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000076355_100000210760 [0,1,0,0,0,0|2,0,0]=3 6894 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000210624_100000076355 [0,1,0,0,0,0|2,0,0]=3 6895 B12R0.268 CC(=O)OCCOCSCC(C)O 62a_100000076355_100011218427 [0,1,0,0,0,0|2,0,0]=3 6896 B12R0.268 CC(=O)OCCOCSCC(C)O 62a_100011218427_100000076355 [0,1,0,0,0,0|2,0,0]=3 6897 B12R0.268 CC(=O)OCCOCSCC(F)F 62a_100000076355_100011934356 [0,1,0,0,0,0|3,0,0]=4 6898 B12R0.268 CC(=O)OCCOCSCC(F)F 62a_100011934356_100000076355 [0,1,0,0,0,0|3,0,0]=4 6899 B12R0.268 CC(=O)OCCOCSC[C@@H](C)O 62a_100000076355_100009817552 [0,1,0,0,0,0|2,0,0]=3 6900 B12R0.268 CC(=O)OCCOCSC[C@@H](C)O 62a_100009817552_100000076355 [0,1,0,0,0,0|2,0,0]=3 6901 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [0,1,0,0,0,0|1,0,2]=4 6902 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [0,1,0,0,0,0|1,0,2]=4 6903 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100009814007_100102525003 [0,1,0,0,0,0|2,0,1]=4 6904 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100102525003_100009814007 [0,1,0,0,0,0|2,0,1]=4 6905 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,1,0,0,0,0|1,0,0]=2 6906 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,1,0,0,0,0|1,0,0]=2 6907 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,1,0,0,0,0|1,0,0]=2 6908 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,1,0,0,0,0|1,0,0]=2 6909 B12R0.268 CC(=O)OCCSCCCN(C)C 62a_100009814007_100000757444 [0,1,0,0,0,0|2,0,0]=3 6910 B12R0.268 CC(=O)OCCSCCOC(=O)C 62a_100009814007_100009814007 [0,1,0,0,0,0|2,0,1]=4 6911 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100000211751_100009814007 [0,1,0,0,0,0|2,0,0]=3 6912 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100009814007_100000211751 [0,1,0,0,0,0|2,0,0]=3 6913 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100000730970_100009814007 [0,1,0,0,0,0|2,0,0]=3 6914 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100009814007_100000730970 [0,1,0,0,0,0|2,0,0]=3 6915 B12R0.268 CC(=O)OCNCCCCC(=O)N 34a_100000696515_100009813279 [0,1,0,0,0,0|2,0,1]=4 6916 B12R0.268 CC(=O)OCNCCCOC(C)C 34a_100000737246_100009813279 [0,1,0,0,0,0|2,0,0]=3 6917 B12R0.268 CC(=O)OCOCCCCC(=O)N 34a_100012022536_100009813279 [0,1,0,0,0,0|2,0,1]=4 6918 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,1,0,0,0,0|1,0,0]=2 6919 B12R0.268 CC(=O)OCOCCCC[N+](=O)[O-] 34a_200015379883_100009813279 [0,1,0,0,0,0|3,0,0]=4 6920 B12R0.268 CC(=O)OCOCCCNC(C)C 34a_100000182298_100009813279 [0,1,0,0,0,0|2,0,0]=3 6921 B12R0.268 CC(=O)OCOCCNCC(C)C 34a_100015185251_100009813279 [0,1,0,0,0,0|2,0,0]=3 6922 B12R0.268 CC(=O)OCOCCOCC(C)C 34a_100000703358_100009813279 [0,1,0,0,0,0|2,0,0]=3 6923 B12R0.268 CC(=O)OCOCCOCC(F)F 34a_100000704375_100009813279 [0,1,0,0,0,0|3,0,0]=4 6924 B12R0.268 CC(=O)OCOCCSCC(C)C 34a_200000230437_100009813279 [0,1,0,0,0,0|2,0,0]=3 6925 B12R0.268 CC(=O)OCSCCCCB(O)O 62a_100000076356_200009817182 [0,1,0,0,0,0|3,0,0]=4 6926 B12R0.268 CC(=O)OCSCCCCB(O)O 62a_200009817182_100000076356 [0,1,0,0,0,0|3,0,0]=4 6927 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,1,0,0,0,0|1,0,0]=2 6928 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,1,0,0,0,0|1,0,0]=2 6929 B12R0.268 CC(=O)OCSCCCCN(C)C 62a_100000076356_100000690147 [0,1,0,0,0,0|2,0,0]=3 6930 B12R0.268 CC(=O)OCSCCCOC(=S)C 62a_100000076356_200135323944 [0,1,0,0,0,0|2,0,1]=4 6931 B12R0.268 CC(=O)OCSCCCOC(=S)C 62a_200135323944_100000076356 [0,1,0,0,0,0|2,0,1]=4 6932 B12R0.268 CC(=O)OCSCCCSC(=O)C 62a_100000038929_100000076356 [0,1,0,0,0,0|2,0,1]=4 6933 B12R0.268 CC(=O)OCSCCCSC(=O)C 62a_100000076356_100000038929 [0,1,0,0,0,0|2,0,1]=4 6934 B12R0.268 CC(=O)OCSCCOCC(F)F 62a_100000076356_200012177212 [0,1,0,0,0,0|3,0,0]=4 6935 B12R0.268 CC(=O)OCSCCOCC(F)F 62a_200012177212_100000076356 [0,1,0,0,0,0|3,0,0]=4 6936 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,1,0,0,0,0|1,1,0]=3 6937 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,1,0,0,0,0|1,1,0]=3 6938 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,1,0,0,0,0|1,1,0]=3 6939 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,1,0,0,0,0|1,1,0]=3 6940 B12R0.268 CC(=O)SCCCCNCC(F)F 34a_100000765723_200010402107 [0,1,0,0,0,0|2,1,0]=4 6941 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,1,0,0,0,0|1,1,0]=3 6942 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,1,0,0,0,0|1,1,0]=3 6943 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,1,0,0,0,0|1,1,0]=3 6944 B12R0.268 CC(=O)SCCCCOCC(F)F 34a_100000743014_200010402107 [0,1,0,0,0,0|2,1,0]=4 6945 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,1,0,0,0,0|1,1,0]=3 6946 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,1,0,0,0,0|1,1,0]=3 6947 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,1,0,0,0,0|1,1,0]=3 6948 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,1,0,0,0,0|1,1,0]=3 6949 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,1,0,0,0,0|1,1,0]=3 6950 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,1,0,0,0,0|1,1,0]=3 6951 B12R0.268 CC(=O)SCCCCSCC(F)F 62a_100011934356_200010402107 [0,1,0,0,0,0|2,1,0]=4 6952 B12R0.268 CC(=O)SCCCCSCC(F)F 62a_200010402107_100011934356 [0,1,0,0,0,0|2,1,0]=4 6953 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,1,0,0,0,0|1,1,0]=3 6954 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,1,0,0,0,0|1,1,0]=3 6955 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,1,0,0,0,0|1,1,0]=3 6956 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,1,0,0,0,0|1,1,0]=3 6957 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,1,0,0,0,0|1,1,0]=3 6958 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,1,0,0,0,0|1,1,0]=3 6959 B12R0.268 CC(=O)SCCCOCCC(F)F 34a_100103093639_100000038929 [0,1,0,0,0,0|2,1,0]=4 6960 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,1,0,0,0,0|1,1,0]=3 6961 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,1,0,0,0,0|1,1,0]=3 6962 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,1,0,0,0,0|1,1,0]=3 6963 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,1,0,0,0,0|1,1,0]=3 6964 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,1,0,0,0,0|1,1,0]=3 6965 B12R0.268 CC(=O)SCCCSCCN(C)C 62a_100000038929_100000755713 [0,1,0,0,0,0|2,1,0]=4 6966 B12R0.268 CC(=O)SCCCSCOC(C)C 62a_100000038929_100000709892 [0,1,0,0,0,0|2,1,0]=4 6967 B12R0.268 CC(=O)SCCCSCOC(C)C 62a_100000709892_100000038929 [0,1,0,0,0,0|2,1,0]=4 6968 B12R0.268 CC(=S)OCCCNCCC(C)O 2230a_200000755665_200135323944 [0,1,0,0,0,0|1,1,0]=3 6969 B12R0.268 CC(=S)OCCCOCCC(C)Br 34a_100009893172_200135323944 [0,1,0,0,0,0|1,1,0]=3 6970 B12R0.268 CC(=S)OCCCOCCC(C)C 34a_100000210254_200135323944 [0,1,0,0,0,0|1,1,0]=3 6971 B12R0.268 CC(=S)OCCCOCCC(C)C 7a_100000210254_200135323944 [0,1,0,0,0,0|1,1,0]=3 6972 B12R0.268 CC(=S)OCCCOCCC(F)F 34a_100103093639_200135323944 [0,1,0,0,0,0|2,1,0]=4 6973 B12R0.268 CC(=S)OCCCOCC[C@@H](C)N 34a_100000706166_200135323944 [0,1,0,0,0,0|1,1,0]=3 6974 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_100000210312_200135323944 [0,1,0,0,0,0|1,1,0]=3 6975 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_200135323944_100000210312 [0,1,0,0,0,0|1,1,0]=3 6976 B12R0.268 CC(=S)OCCCSCCC(C)O 62a_100012276601_200135323944 [0,1,0,0,0,0|1,1,0]=3 6977 B12R0.268 CC(=S)OCCCSCCC(C)O 62a_200135323944_100012276601 [0,1,0,0,0,0|1,1,0]=3 6978 B12R0.268 CC(=S)OCCCSCCN(C)C 62a_200135323944_100000755713 [0,1,0,0,0,0|2,1,0]=4 6979 B12R0.268 CC(=S)OCCCSCOC(C)C 62a_100000709892_200135323944 [0,1,0,0,0,0|2,1,0]=4 6980 B12R0.268 CC(=S)OCCCSCOC(C)C 62a_200135323944_100000709892 [0,1,0,0,0,0|2,1,0]=4 6981 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,1,0,0,0,0|3,0,0]=4 6982 B12R0.268 CC(Br)COCCCCO[N+](=O)[O-] 34a_100012180447_100015694321 [0,1,0,0,0,0|3,0,0]=4 6983 B12R0.268 CC(C)CCCCCCNC(C)C 2230a_100000211014_100000210206 [0,1,0,0,0,0|2,0,1]=4 6984 B12R0.268 CC(C)CCCCCCNC(C)C 34a_100000211014_100000210206 [0,1,0,0,0,0|2,0,1]=4 6985 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,1,0,0,0,0|3,0,0]=4 6986 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,1,0,0,0,0|3,0,0]=4 6987 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,1,0,0,0,0|3,0,0]=4 6988 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,1,0,0,0,0|3,0,0]=4 6989 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,1,0,0,0,0|3,0,0]=4 6990 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,1,0,0,0,0|3,0,0]=4 6991 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,1,0,0,0,0|3,0,0]=4 6992 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,1,0,0,0,0|3,0,0]=4 6993 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,1,0,0,0,0|3,0,0]=4 6994 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,1,0,0,0,0|3,0,0]=4 6995 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,1,0,0,0,0|3,0,0]=4 6996 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,1,0,0,0,0|3,0,0]=4 6997 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,1,0,0,0,0|3,0,0]=4 6998 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,1,0,0,0,0|3,0,0]=4 6999 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,1,0,0,0,0|3,0,0]=4 7000 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,1,0,0,0,0|3,0,0]=4 7001 B12R0.268 CC(C)CCCCOCOC(C)C 34a_100011214890_100000709892 [0,1,0,0,0,0|2,0,1]=4 7002 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,1,0,0,0,0|3,0,0]=4 7003 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,1,0,0,0,0|3,0,0]=4 7004 B12R0.268 CC(C)CCCCSCOC(C)C 62a_100000709892_100011216152 [0,1,0,0,0,0|2,0,1]=4 7005 B12R0.268 CC(C)CCCCSCOC(C)C 62a_100011216152_100000709892 [0,1,0,0,0,0|2,0,1]=4 7006 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,1,0,0,0,0|3,0,0]=4 7007 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,1,0,0,0,0|3,0,0]=4 7008 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,1,0,0,0,0|3,0,0]=4 7009 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [0,1,0,0,0,0|3,0,0]=4 7010 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [0,1,0,0,0,0|3,0,0]=4 7011 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [0,1,0,0,0,0|2,0,0]=3 7012 B12R0.268 CC(C)CCCNCCOC(C)C 2230a_100000701111_100011214892 [0,1,0,0,0,0|2,0,1]=4 7013 B12R0.268 CC(C)CCCNCCOC(C)C 2230a_200000737386_100000211751 [0,1,0,0,0,0|2,0,1]=4 7014 B12R0.268 CC(C)CCCNCCOC(C)C 34a_100000701111_100011214892 [0,1,0,0,0,0|2,0,1]=4 7015 B12R0.268 CC(C)CCCNCCOC(C)C 34a_200000737386_100000211751 [0,1,0,0,0,0|2,0,1]=4 7016 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,1,0,0,0,0|3,0,0]=4 7017 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,1,0,0,0,0|3,0,0]=4 7018 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [0,1,0,0,0,0|3,0,0]=4 7019 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [0,1,0,0,0,0|3,0,0]=4 7020 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [0,1,0,0,0,0|2,0,0]=3 7021 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [0,1,0,0,0,0|2,0,0]=3 7022 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [0,1,0,0,0,0|2,0,0]=3 7023 B12R0.268 CC(C)CCCOCCOC(C)C 34a_100000210774_100000211751 [0,1,0,0,0,0|2,0,1]=4 7024 B12R0.268 CC(C)CCCOCCOC(C)C 34a_100000211219_100011214892 [0,1,0,0,0,0|2,0,1]=4 7025 B12R0.268 CC(C)CCCOCCOC(C)C 7a_100000210774_100000211751 [0,1,0,0,0,0|2,0,1]=4 7026 B12R0.268 CC(C)CCCOCCOC(C)C 7a_100000211219_100011214892 [0,1,0,0,0,0|2,0,1]=4 7027 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,1,0,0,0,0|3,0,0]=4 7028 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,1,0,0,0,0|3,0,0]=4 7029 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [0,1,0,0,0,0|3,0,0]=4 7030 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [0,1,0,0,0,0|3,0,0]=4 7031 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [0,1,0,0,0,0|2,0,0]=3 7032 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [0,1,0,0,0,0|2,0,0]=3 7033 B12R0.268 CC(C)CCCSCCOC(C)C 62a_100000211751_100011214892 [0,1,0,0,0,0|2,0,1]=4 7034 B12R0.268 CC(C)CCCSCCOC(C)C 62a_100011214892_100000211751 [0,1,0,0,0,0|2,0,1]=4 7035 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,1,0,0,0,0|3,0,0]=4 7036 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,1,0,0,0,0|3,0,0]=4 7037 B12R0.268 CC(C)CCNCCCOC(C)C 2230a_100000737246_100000210312 [0,1,0,0,0,0|2,0,1]=4 7038 B12R0.268 CC(C)CCNCCCOC(C)C 269862a_100000737246_100000185833 [0,1,0,0,0,0|2,0,1]=4 7039 B12R0.268 CC(C)CCNCCCOC(C)C 34a_100000737246_100000210312 [0,1,0,0,0,0|2,0,1]=4 7040 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,1,0,0,0,0|3,0,0]=4 7041 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,1,0,0,0,0|3,0,0]=4 7042 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,1,0,0,0,0|3,0,0]=4 7043 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,1,0,0,0,0|3,0,0]=4 7044 B12R0.268 CC(C)CNCCCCO[N+](=O)[O-] 34a_100000210953_100015694321 [0,1,0,0,0,0|3,0,0]=4 7045 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,1,0,0,0,0|3,0,0]=4 7046 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,1,0,0,0,0|3,0,0]=4 7047 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,1,0,0,0,0|3,0,0]=4 7048 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,1,0,0,0,0|3,0,0]=4 7049 B12R0.268 CC(C)COCCCCO[N+](=O)[O-] 34a_100000210257_100015694321 [0,1,0,0,0,0|3,0,0]=4 7050 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,1,0,0,0,0|3,0,0]=4 7051 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,1,0,0,0,0|3,0,0]=4 7052 B12R0.268 CC(C)CSCCCCO[N+](=O)[O-] 62a_100000210624_100015694321 [0,1,0,0,0,0|3,0,0]=4 7053 B12R0.268 CC(C)NCCCCCOC(C)C 34a_100011629493_100000210206 [0,1,0,0,0,0|2,0,1]=4 7054 B12R0.268 CC(C)NCCOCCOC(=O)N 34a_100000224655_200011214921 [0,1,0,0,0,0|3,0,0]=4 7055 B12R0.268 CC(C)OCCNCCOC(=O)N 34a_100000701111_200011214921 [0,1,0,0,0,0|3,0,0]=4 7056 B12R0.268 CC(C)OCCOCCOC(=O)N 34a_100000211219_200011214921 [0,1,0,0,0,0|3,0,0]=4 7057 B12R0.268 CC(C)OCCOCCOC(=O)N 7a_100000211219_200011214921 [0,1,0,0,0,0|3,0,0]=4 7058 B12R0.268 CC(C)OCCOCCOC(=O)N 7a_100000766696_100000211751 [0,1,0,0,0,0|3,0,0]=4 7059 B12R0.268 CC(C)OCCSCCOC(=O)N 62a_100000211751_200011214921 [0,1,0,0,0,0|3,0,0]=4 7060 B12R0.268 CC(C)OCCSCCOC(=O)N 62a_200011214921_100000211751 [0,1,0,0,0,0|3,0,0]=4 7061 B12R0.268 CC(C)SCCNCCOC(=O)N 34a_100000731138_200011214921 [0,1,0,0,0,0|3,0,0]=4 7062 B12R0.268 CC(C)SCCOCCOC(=O)N 34a_200011212901_200011214921 [0,1,0,0,0,0|3,0,0]=4 7063 B12R0.268 CC(C)SCCOCCOC(=O)N 7a_100000766696_100000730970 [0,1,0,0,0,0|3,0,0]=4 7064 B12R0.268 CC(C)SCCOCCOC(=O)N 7a_200011212901_200011214921 [0,1,0,0,0,0|3,0,0]=4 7065 B12R0.268 CC(C)SCCSCCOC(=O)N 62a_100000730970_200011214921 [0,1,0,0,0,0|3,0,0]=4 7066 B12R0.268 CC(C)SCCSCCOC(=O)N 62a_200011214921_100000730970 [0,1,0,0,0,0|3,0,0]=4 7067 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,1,0,0,0,0|3,0,0]=4 7068 B12R0.268 CC(F)COCCCCO[N+](=O)[O-] 34a_100015925927_100015694321 [0,1,0,0,0,0|3,0,0]=4 7069 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,1,0,0,0,0|3,0,0]=4 7070 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,1,0,0,0,0|3,0,0]=4 7071 B12R0.268 CC(O)CCCNCCNC(=O)N 34a_100020590234_200000718107 [0,1,0,0,0,0|3,0,0]=4 7072 B12R0.268 CC(O)CCCNCCOC(C)C 2230a_100000701111_200000718107 [0,1,0,0,0,0|2,0,1]=4 7073 B12R0.268 CC(O)CCCNCCOC(C)C 34a_100000701111_200000718107 [0,1,0,0,0,0|2,0,1]=4 7074 B12R0.268 CC(O)CCCOCCNC(=O)N 34a_100000181757_200000718107 [0,1,0,0,0,0|3,0,0]=4 7075 B12R0.268 CC(O)CCCOCCOC(=O)N 7a_100000766696_200000718107 [0,1,0,0,0,0|2,0,0]=3 7076 B12R0.268 CC(O)CCCOCCOC(C)C 34a_100000211219_200000718107 [0,1,0,0,0,0|2,0,1]=4 7077 B12R0.268 CC(O)CCCOCCOC(C)C 7a_100000211219_200000718107 [0,1,0,0,0,0|2,0,1]=4 7078 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,1,0,0,0,0|3,0,0]=4 7079 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,1,0,0,0,0|3,0,0]=4 7080 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000034859_200000718107 [0,1,0,0,0,0|3,0,0]=4 7081 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000718107_200000034859 [0,1,0,0,0,0|3,0,0]=4 7082 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200000718107_200011214921 [0,1,0,0,0,0|2,0,0]=3 7083 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200011214921_200000718107 [0,1,0,0,0,0|2,0,0]=3 7084 B12R0.268 CC(O)CCCSCCOC(C)C 62a_100000211751_200000718107 [0,1,0,0,0,0|2,0,1]=4 7085 B12R0.268 CC(O)CCCSCCOC(C)C 62a_200000718107_100000211751 [0,1,0,0,0,0|2,0,1]=4 7086 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,1,0,0,0,0|3,0,0]=4 7087 B12R0.268 CC(O)CCNCCCOC(C)C 2230a_100000737246_100012276601 [0,1,0,0,0,0|2,0,1]=4 7088 B12R0.268 CC(O)CCNCCCOC(C)C 34a_100000737246_100012276601 [0,1,0,0,0,0|2,0,1]=4 7089 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,1,0,0,0,0|3,0,0]=4 7090 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,1,0,0,0,0|3,0,0]=4 7091 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,1,0,0,0,0|3,0,0]=4 7092 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,1,0,0,0,0|3,0,0]=4 7093 B12R0.268 CC(O)CNCCCCO[N+](=O)[O-] 34a_100000210904_100015694321 [0,1,0,0,0,0|3,0,0]=4 7094 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,1,0,0,0,0|3,0,0]=4 7095 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,1,0,0,0,0|3,0,0]=4 7096 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,1,0,0,0,0|3,0,0]=4 7097 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,1,0,0,0,0|3,0,0]=4 7098 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,1,0,0,0,0|3,0,0]=4 7099 B12R0.268 CC(O)CSCCCCO[N+](=O)[O-] 62a_100011218427_100015694321 [0,1,0,0,0,0|3,0,0]=4 7100 B12R0.268 CN(C)CCCOCCOC(=O)N 7a_100000766696_100000757444 [0,1,0,0,0,0|3,0,0]=4 7101 B12R0.268 CN(C)CCCSCCOC(=O)N 62a_200011214921_100000757444 [0,1,0,0,0,0|3,0,0]=4 7102 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,1,0,0,0,0|3,0,0]=4 7103 B12R0.268 C[C@@H](Cl)COCCCCO[N+](=O)[O-] 34a_100016084084_100015694321 [0,1,0,0,0,0|3,0,0]=4 7104 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,1,0,0,0,0|3,0,0]=4 7105 B12R0.268 C[C@@H](N)COCCCCO[N+](=O)[O-] 34a_100000737577_100015694321 [0,1,0,0,0,0|3,0,0]=4 7106 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,1,0,0,0,0|3,0,0]=4 7107 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,1,0,0,0,0|3,0,0]=4 7108 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,1,0,0,0,0|3,0,0]=4 7109 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,1,0,0,0,0|3,0,0]=4 7110 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,1,0,0,0,0|3,0,0]=4 7111 B12R0.268 C[C@@H](O)CSCCCCO[N+](=O)[O-] 62a_100009817552_100015694321 [0,1,0,0,0,0|3,0,0]=4 7112 B12R0.277 C#CCC(=O)CCCCOC(=O)C 1458a_100011220946_100000033659 [0,1,0,0,0,0|0,0,3]=4 7113 B12R0.277 C#CCC(C)OCCCOC(=O)C 34a_100000685586_100000042594 [0,1,0,0,0,0|1,0,2]=4 7114 B12R0.277 C#CCC(C)OCCCOC(=O)C 7a_100000685586_100000042594 [0,1,0,0,0,0|1,0,2]=4 7115 B12R0.277 C#CCN(C)CCCCOC(=O)C 34a_100000225692_100000033659 [0,1,0,0,0,0|1,0,2]=4 7116 B12R0.277 C/C=C/C(C)OCCCOC(=O)C 34a_200102604097_100000042594 [0,1,0,0,0,0|1,0,2]=4 7117 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,1,0,0,0,0|3,0,0]=4 7118 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,1,0,0,0,0|3,0,0]=4 7119 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,1,0,0,0,0|3,0,0]=4 7120 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,1,0,0,0,0|3,0,0]=4 7121 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,1,0,0,0,0|3,0,0]=4 7122 B12R0.277 C=CCC(=O)CCCCOC(=O)C 1458a_100000210193_100000033659 [0,1,0,0,0,0|0,0,3]=4 7123 B12R0.277 C=CCC(C)COCCOC(=O)C 34a_100009832082_100009814007 [0,1,0,0,0,0|1,0,2]=4 7124 B12R0.277 C=CCC(C)COCCOC(=O)C 7a_100009832082_100009814007 [0,1,0,0,0,0|1,0,2]=4 7125 B12R0.277 C=CCN(C)CCCCOC(=O)C 269982a_100000225617_100000033659 [0,1,0,0,0,0|1,0,2]=4 7126 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C 34a_100000731007_100000042594 [0,1,0,0,0,0|1,0,2]=4 7127 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C 7a_100000731007_100000042594 [0,1,0,0,0,0|1,0,2]=4 7128 B12R0.277 C=CC[C@@H](N)COCCOC(=O)C 34a_100020615467_100009814007 [0,1,0,0,0,0|1,0,2]=4 7129 B12R0.277 CC#CC(=O)CCCCOC(=O)C 1458a_100000763181_100000033659 [0,1,0,0,0,0|0,0,3]=4 7130 B12R0.277 CC#CC(C)OCCCOC(=O)C 34a_100011216543_100000042594 [0,1,0,0,0,0|1,0,2]=4 7131 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,1,0,0,0,0|3,0,0]=4 7132 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,1,0,0,0,0|3,0,0]=4 7133 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,1,0,0,0,0|3,0,0]=4 7134 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,1,0,0,0,0|3,0,0]=4 7135 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,1,0,0,0,0|3,0,0]=4 7136 B12R0.277 CC(=O)NCCCNC(C)CCO 34a_100000736810_100009893172 [0,1,0,0,0,0|3,0,0]=4 7137 B12R0.277 CC(=O)NCCCOC(C)CCO 34a_100000752032_100009893172 [0,1,0,0,0,0|3,0,0]=4 7138 B12R0.277 CC(=O)OCCCCC(=O)CC#N 1458a_100051588842_100000033659 [0,1,0,0,0,0|1,0,2]=4 7139 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [0,1,0,0,0,0|1,0,1]=3 7140 B12R0.277 CC(=O)OCCCCN(C)CCO 269982a_100000210263_100000033659 [0,1,0,0,0,0|2,0,0]=3 7141 B12R0.277 CC(=O)OCCCN[C@H](C)CCO 34a_100000706166_100000042594 [0,1,0,0,0,0|2,0,0]=3 7142 B12R0.277 CC(=O)OCCCOC(C)CCBr 34a_100012276601_100000042594 [0,1,0,0,0,0|2,0,0]=3 7143 B12R0.277 CC(=O)OCCCSC(C)CC#N 62a_100000042594_100009813641 [0,1,0,0,0,0|2,0,1]=4 7144 B12R0.277 CC(=O)OCCCSC(C)CC#N 62a_100009813641_100000042594 [0,1,0,0,0,0|2,0,1]=4 7145 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100000042594_100009893172 [0,1,0,0,0,0|2,0,0]=3 7146 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100009893172_100000042594 [0,1,0,0,0,0|2,0,0]=3 7147 B12R0.277 CC(=O)OCCOCC(C)CCN 34a_106354213184_100009814007 [0,1,0,0,0,0|2,0,0]=3 7148 B12R0.277 CC(=O)OCCOCN(C)CCO 269982a_100000210263_100000076355 [0,1,0,0,0,0|3,0,0]=4 7149 B12R0.277 CC(=O)OCCSC[C@@H](O)CC#N 62a_100000001066_100009814007 [0,1,0,0,0,0|2,0,1]=4 7150 B12R0.277 CC(=O)OCCSC[C@@H](O)CC#N 62a_100009814007_100000001066 [0,1,0,0,0,0|2,0,1]=4 7151 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [0,1,0,0,0,0|1,1,1]=4 7152 B12R0.277 CC(=O)SCCCCN(C)CCO 2230a_100000210263_200010402107 [0,1,0,0,0,0|2,1,0]=4 7153 B12R0.277 CC(=O)SCCCCN(C)CCO 269982a_100000210263_200010402107 [0,1,0,0,0,0|2,1,0]=4 7154 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 2230a_100000706166_100000038929 [0,1,0,0,0,0|2,1,0]=4 7155 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 34a_100000706166_100000038929 [0,1,0,0,0,0|2,1,0]=4 7156 B12R0.277 CC(=O)SCCCOC(C)CCBr 34a_100012276601_100000038929 [0,1,0,0,0,0|2,1,0]=4 7157 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100000038929_100009893172 [0,1,0,0,0,0|2,1,0]=4 7158 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100009893172_100000038929 [0,1,0,0,0,0|2,1,0]=4 7159 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 2230a_100000706166_200135323944 [0,1,0,0,0,0|2,1,0]=4 7160 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 34a_100000706166_200135323944 [0,1,0,0,0,0|2,1,0]=4 7161 B12R0.277 CC(=S)OCCCOC(C)CCBr 34a_100012276601_200135323944 [0,1,0,0,0,0|2,1,0]=4 7162 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_100009893172_200135323944 [0,1,0,0,0,0|2,1,0]=4 7163 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_200135323944_100009893172 [0,1,0,0,0,0|2,1,0]=4 7164 B12R0.277 CC(CCN)COCCOC(=O)N 34a_106354213184_200011214921 [0,1,0,0,0,0|3,0,0]=4 7165 B12R0.277 CC=CC(=O)CCCCOC(=O)C 1458a_100000210699_100000033659 [0,1,0,0,0,0|0,0,3]=4 7166 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,1,0,0,0,0|2,0,1]=4 7167 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,1,0,0,0,0|0,0,1]=2 7168 B12R0.277 CCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000211992_100015694321 [0,1,0,0,0,0|2,0,1]=4 7169 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,1,0,0,0,0|0,1,1]=3 7170 B12R0.277 CCCC(=O)CNCCNC(=O)C 2230a_100000209853_100000747444 [0,1,0,0,0,0|2,0,1]=4 7171 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,1,0,0,0,0|2,0,1]=4 7172 B12R0.277 CCCC(=O)COCCOC(=O)N 7a_100000766696_100000747444 [0,1,0,0,0,0|2,0,1]=4 7173 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,1,0,0,0,0|2,0,1]=4 7174 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,1,0,0,0,0|2,0,1]=4 7175 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000189650_100000747444 [0,1,0,0,0,0|2,0,1]=4 7176 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000747444_100000189650 [0,1,0,0,0,0|2,0,1]=4 7177 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100000747444_100009814007 [0,1,0,0,0,0|1,0,1]=3 7178 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100009814007_100000747444 [0,1,0,0,0,0|1,0,1]=3 7179 B12R0.277 CCCC(=O)CSCCOC(=O)N 62a_100000747444_200011214921 [0,1,0,0,0,0|2,0,1]=4 7180 B12R0.277 CCCC(=O)CSCCOC(=O)N 62a_200011214921_100000747444 [0,1,0,0,0,0|2,0,1]=4 7181 B12R0.277 CCCC(=O)NCCCNC(=O)C 11a_100000736810_100000211992 [0,1,0,0,0,0|2,0,1]=4 7182 B12R0.277 CCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000211992 [0,1,0,0,0,0|2,0,1]=4 7183 B12R0.277 CCCC(=O)NCCCNC(=O)C 527a_100000736810_100000211992 [0,1,0,0,0,0|2,0,1]=4 7184 B12R0.277 CCCC(=O)OCSCOC(=O)C 62a_100000076356_100000034017 [0,1,0,0,0,0|2,0,1]=4 7185 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,1,0,0,0,0|3,0,0]=4 7186 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,1,0,0,0,0|3,0,0]=4 7187 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,1,0,0,0,0|3,0,0]=4 7188 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,1,0,0,0,0|3,0,0]=4 7189 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,1,0,0,0,0|3,0,0]=4 7190 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,1,0,0,0,0|2,0,0]=3 7191 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,1,0,0,0,0|3,0,0]=4 7192 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,1,0,0,0,0|3,0,0]=4 7193 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,1,0,0,0,0|1,0,0]=2 7194 B12R0.277 CCCC(C)CCOCOC(C)C 34a_100011217855_100000709892 [0,1,0,0,0,0|2,0,1]=4 7195 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,1,0,0,0,0|3,0,0]=4 7196 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,1,0,0,0,0|3,0,0]=4 7197 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,1,0,0,0,0|3,0,0]=4 7198 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,1,0,0,0,0|2,0,0]=3 7199 B12R0.277 CCCC(C)CNCCNC(=O)N 34a_100020590234_100011216630 [0,1,0,0,0,0|3,0,0]=4 7200 B12R0.277 CCCC(C)CNCCOC(C)C 2230a_100000701111_100011216630 [0,1,0,0,0,0|2,0,1]=4 7201 B12R0.277 CCCC(C)CNCCOC(C)C 270004a_100000701111_100000243154 [0,1,0,0,0,0|2,0,1]=4 7202 B12R0.277 CCCC(C)CNCCOC(C)C 34a_100000701111_100011216630 [0,1,0,0,0,0|2,0,1]=4 7203 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,1,0,0,0,0|3,0,0]=4 7204 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,1,0,0,0,0|3,0,0]=4 7205 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,1,0,0,0,0|2,0,0]=3 7206 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,1,0,0,0,0|2,0,0]=3 7207 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,1,0,0,0,0|2,0,0]=3 7208 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,1,0,0,0,0|2,0,0]=3 7209 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,1,0,0,0,0|3,0,0]=4 7210 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,1,0,0,0,0|3,0,0]=4 7211 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,1,0,0,0,0|2,0,0]=3 7212 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,1,0,0,0,0|2,0,0]=3 7213 B12R0.277 CCCC(C)COCCNC(=O)N 34a_100000181757_100011216630 [0,1,0,0,0,0|3,0,0]=4 7214 B12R0.277 CCCC(C)COCCNC(=O)N 7a_100000688023_200000034859 [0,1,0,0,0,0|3,0,0]=4 7215 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,1,0,0,0,0|1,0,0]=2 7216 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,1,0,0,0,0|1,0,0]=2 7217 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,1,0,0,0,0|2,0,0]=3 7218 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,1,0,0,0,0|2,0,0]=3 7219 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,1,0,0,0,0|2,0,0]=3 7220 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000211219_100011216630 [0,1,0,0,0,0|2,0,1]=4 7221 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000688023_100000211751 [0,1,0,0,0,0|2,0,1]=4 7222 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000211219_100011216630 [0,1,0,0,0,0|2,0,1]=4 7223 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000688023_100000211751 [0,1,0,0,0,0|2,0,1]=4 7224 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,1,0,0,0,0|3,0,0]=4 7225 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,1,0,0,0,0|3,0,0]=4 7226 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,1,0,0,0,0|2,0,0]=3 7227 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,1,0,0,0,0|2,0,0]=3 7228 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,1,0,0,0,0|3,0,0]=4 7229 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,1,0,0,0,0|3,0,0]=4 7230 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,1,0,0,0,0|2,0,0]=3 7231 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,1,0,0,0,0|2,0,0]=3 7232 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_100011216630_200000034859 [0,1,0,0,0,0|3,0,0]=4 7233 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_200000034859_100011216630 [0,1,0,0,0,0|3,0,0]=4 7234 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,1,0,0,0,0|1,0,0]=2 7235 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,1,0,0,0,0|1,0,0]=2 7236 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,1,0,0,0,0|2,0,0]=3 7237 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,1,0,0,0,0|2,0,0]=3 7238 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100000211751_100011216630 [0,1,0,0,0,0|2,0,1]=4 7239 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100011216630_100000211751 [0,1,0,0,0,0|2,0,1]=4 7240 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,1,0,0,0,0|3,0,0]=4 7241 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,1,0,0,0,0|3,0,0]=4 7242 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,1,0,0,0,0|2,0,0]=3 7243 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,1,0,0,0,0|2,0,0]=3 7244 B12R0.277 CCCC(C)NCCCOC(=S)C 2230a_100000741246_200135323944 [0,1,0,0,0,0|1,1,0]=3 7245 B12R0.277 CCCC(C)NCCCOC(C)C 2230a_100000737246_100000766640 [0,1,0,0,0,0|2,0,1]=4 7246 B12R0.277 CCCC(C)NCCCOC(C)C 270004a_100000737246_100000211909 [0,1,0,0,0,0|2,0,1]=4 7247 B12R0.277 CCCC(C)NCCCOC(C)C 34a_100000737246_100000766640 [0,1,0,0,0,0|2,0,1]=4 7248 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,1,0,0,0,0|1,1,0]=3 7249 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,1,0,0,0,0|2,0,0]=3 7250 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,1,0,0,0,0|2,0,0]=3 7251 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,1,0,0,0,0|3,0,0]=4 7252 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,1,0,0,0,0|3,0,0]=4 7253 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,1,0,0,0,0|2,0,0]=3 7254 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,1,0,0,0,0|1,0,0]=2 7255 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,1,0,0,0,0|1,0,0]=2 7256 B12R0.277 CCCC(C)OCCCOC(=S)C 34a_100000764384_200135323944 [0,1,0,0,0,0|1,1,0]=3 7257 B12R0.277 CCCC(C)OCCCOC(=S)C 7a_100000764384_200135323944 [0,1,0,0,0,0|1,1,0]=3 7258 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,1,0,0,0,0|1,1,0]=3 7259 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,1,0,0,0,0|1,1,0]=3 7260 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,1,0,0,0,0|2,0,0]=3 7261 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,1,0,0,0,0|2,0,0]=3 7262 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,1,0,0,0,0|1,0,0]=2 7263 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,1,0,0,0,0|1,0,0]=2 7264 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_100000766640_200135323944 [0,1,0,0,0,0|1,1,0]=3 7265 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_200135323944_100000766640 [0,1,0,0,0,0|1,1,0]=3 7266 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,1,0,0,0,0|1,1,0]=3 7267 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,1,0,0,0,0|1,1,0]=3 7268 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,1,0,0,0,0|3,0,0]=4 7269 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,1,0,0,0,0|3,0,0]=4 7270 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,1,0,0,0,0|1,0,0]=2 7271 B12R0.277 CCCN(C)CCCCO[N+](=O)[O-] 269982a_100000747261_100015694321 [0,1,0,0,0,0|3,0,0]=4 7272 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,1,0,0,0,0|1,1,0]=3 7273 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,1,0,0,0,0|1,1,0]=3 7274 B12R0.277 CCCN(C)COCCOC(=O)C 269982a_100000747261_100000076355 [0,1,0,0,0,0|2,0,0]=3 7275 B12R0.277 CCC[C@H](N)CCOCC=C(C)C 34a_100015193777_100000761012 [0,1,0,0,0,0|3,0,0]=4 7276 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,1,0,0,0,0|3,0,0]=4 7277 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,1,0,0,0,0|1,0,0]=2 7278 B12R0.277 CCC[C@H](N)CCOCOC(C)C 34a_100015193777_100000709892 [0,1,0,0,0,0|2,0,1]=4 7279 B12R0.277 CCC[C@H](N)COCCC=C(C)C 34a_100000732646_100011217483 [0,1,0,0,0,0|3,0,0]=4 7280 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,1,0,0,0,0|2,0,0]=3 7281 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,1,0,0,0,0|3,0,0]=4 7282 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,1,0,0,0,0|1,0,0]=2 7283 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,1,0,0,0,0|2,0,0]=3 7284 B12R0.277 CCC[C@H](N)COCCOC(C)C 34a_100000732646_100000211751 [0,1,0,0,0,0|2,0,1]=4 7285 B12R0.277 CCNC(=O)CCNCOC(=O)C 34a_100025743525_100009813279 [0,1,0,0,0,0|2,0,1]=4 7286 B12R0.277 CCNC(=O)CCSCOC(=O)C 62a_100000076356_100000737597 [0,1,0,0,0,0|2,0,1]=4 7287 B12R0.277 CCNC(=O)CCSCOC(=O)C 62a_100000737597_100000076356 [0,1,0,0,0,0|2,0,1]=4 7288 B12R0.277 CCNC(=O)CSCCOC(=O)C 62a_100000183381_100009814007 [0,1,0,0,0,0|2,0,1]=4 7289 B12R0.277 CCNC(=O)CSCCOC(=O)C 62a_100009814007_100000183381 [0,1,0,0,0,0|2,0,1]=4 7290 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,1,0,0,0,0|2,0,1]=4 7291 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,1,0,0,0,0|2,0,1]=4 7292 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,1,0,0,0,0|2,0,1]=4 7293 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,1,0,0,0,0|2,0,1]=4 7294 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000076356_100000765890 [0,1,0,0,0,0|2,0,1]=4 7295 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000765890_100000076356 [0,1,0,0,0,0|2,0,1]=4 7296 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100000188475_100009814007 [0,1,0,0,0,0|2,0,1]=4 7297 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100009814007_100000188475 [0,1,0,0,0,0|2,0,1]=4 7298 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,1,0,0,0,0|1,0,1]=3 7299 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,1,0,0,0,0|1,1,1]=4 7300 B12R0.277 COCC(C)NCCCNC(=O)C 270004a_100000736810_100000749346 [0,1,0,0,0,0|3,0,0]=4 7301 B12R0.277 COCC(C)NCCCNC(=O)C 34a_100000736810_100000765312 [0,1,0,0,0,0|3,0,0]=4 7302 B12R0.277 COCC(C)OCCCNC(=O)C 34a_100000752032_100000765312 [0,1,0,0,0,0|3,0,0]=4 7303 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000735457_100000765312 [0,1,0,0,0,0|3,0,0]=4 7304 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000765312_100000735457 [0,1,0,0,0,0|3,0,0]=4 7305 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000042594_100000765312 [0,1,0,0,0,0|2,0,0]=3 7306 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000765312_100000042594 [0,1,0,0,0,0|2,0,0]=3 7307 B12R0.277 COCC(C)SCCCOC(=S)C 62a_100000765312_200135323944 [0,1,0,0,0,0|2,1,0]=4 7308 B12R0.277 COCC(C)SCCCOC(=S)C 62a_200135323944_100000765312 [0,1,0,0,0,0|2,1,0]=4 7309 B12R0.277 COCC(C)SCCCSC(=O)C 62a_100000038929_100000765312 [0,1,0,0,0,0|2,1,0]=4 7310 B12R0.277 COCC(C)SCCCSC(=O)C 62a_100000765312_100000038929 [0,1,0,0,0,0|2,1,0]=4 7311 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,1,0,0,0,0|3,0,0]=4 7312 B12R0.277 COCC(N)COCCOC(=O)C 34a_100000724102_100009814007 [0,1,0,0,0,0|2,0,0]=3 7313 B12R0.277 COCC(N)COCCOC(=O)N 34a_100000724102_200011214921 [0,1,0,0,0,0|3,0,0]=4 7314 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,1,0,0,0,0|3,0,0]=4 7315 B12R0.277 COCC(O)CNCCNC(=O)C 2230a_100000756049_100000189650 [0,1,0,0,0,0|3,0,0]=4 7316 B12R0.277 COCC(O)CNCCOC(=O)C 34a_100000756049_100009814007 [0,1,0,0,0,0|2,0,0]=3 7317 B12R0.277 COCC(O)CNCCOC(=O)N 34a_100000756049_200011214921 [0,1,0,0,0,0|3,0,0]=4 7318 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,1,0,0,0,0|3,0,0]=4 7319 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,1,0,0,0,0|3,0,0]=4 7320 B12R0.277 COCC(O)COCCNC(=O)C 34a_100000158858_100011215053 [0,1,0,0,0,0|3,0,0]=4 7321 B12R0.277 COCC(O)COCCOC(=O)N 7a_100000766696_100011215053 [0,1,0,0,0,0|3,0,0]=4 7322 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,1,0,0,0,0|3,0,0]=4 7323 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,1,0,0,0,0|3,0,0]=4 7324 B12R0.277 COCC(O)CSCCNC(=O)C 62a_100000189650_100011215053 [0,1,0,0,0,0|3,0,0]=4 7325 B12R0.277 COCC(O)CSCCNC(=O)C 62a_100011215053_100000189650 [0,1,0,0,0,0|3,0,0]=4 7326 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100009814007_100011215053 [0,1,0,0,0,0|2,0,0]=3 7327 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100011215053_100009814007 [0,1,0,0,0,0|2,0,0]=3 7328 B12R0.277 COCC(O)CSCCOC(=O)N 62a_100011215053_200011214921 [0,1,0,0,0,0|3,0,0]=4 7329 B12R0.277 COCC(O)CSCCOC(=O)N 62a_200011214921_100011215053 [0,1,0,0,0,0|3,0,0]=4 7330 B12R0.277 COC[C@@H](C)NCCCOC(=S)C 2230a_100000764878_200135323944 [0,1,0,0,0,0|2,1,0]=4 7331 B12R0.277 COC[C@@H](C)NCCCSC(=O)C 2230a_100000764878_100000038929 [0,1,0,0,0,0|2,1,0]=4 7332 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,1,0,0,0,0|3,0,0]=4 7333 B12R0.277 COC[C@@H](C)OCCCOC(=O)C 34a_100011934205_100000042594 [0,1,0,0,0,0|2,0,0]=3 7334 B12R0.277 COC[C@@H](C)OCCCOC(=S)C 34a_100011934205_200135323944 [0,1,0,0,0,0|2,1,0]=4 7335 B12R0.277 COC[C@@H](C)OCCCSC(=O)C 34a_100011934205_100000038929 [0,1,0,0,0,0|2,1,0]=4 7336 B12R0.277 CSCC(=O)CCCCOC(=O)C 1458a_100000184570_100000033659 [0,1,0,0,0,0|1,0,1]=3 7337 B12R0.277 CSCC(=O)CCCCSC(=O)C 1458a_100000184570_200010402107 [0,1,0,0,0,0|1,1,1]=4 7338 B12R0.277 CSCC(C)NCCCNC(=O)C 270004a_100000736810_100011216314 [0,1,0,0,0,0|3,0,0]=4 7339 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,0,0,1,0,0|2,0,0]=3 7340 B12R1.7 CCCCCCc1noc(n1)C 270196a_100011218096_100000070787 [0,0,0,1,0,0|2,0,1]=4 7341 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,0,0,1,0,0|2,0,0]=3 7342 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,0,0,1,0,0|2,0,0]=3 7343 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,0,0,1,0,0|2,0,0]=3 7344 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|2,0,0]=3 7345 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|2,0,0]=3 7346 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,0,0,1,0,0|2,0,0]=3 7347 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,0,0,1,0,0|2,0,0]=3 7348 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,0,0,1,0,0|3,0,0]=4 7349 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,0,0,1,0,0|3,0,0]=4 7350 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,0,0,1,0,0|3,0,0]=4 7351 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,0,0,1,0,0|3,0,0]=4 7352 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,0,0,1,0,0|3,0,0]=4 7353 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,0,0,1,0,0|3,0,0]=4 7354 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,0,0,1,0,0|2,0,0]=3 7355 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,0,0,1,0,0|2,0,0]=3 7356 B12R1.7 CCCCNN=C1COC(=O)C1 4a_100025702795_100000211896 [0,0,0,1,0,0|2,0,1]=4 7357 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,0,0,1,0,0|1,0,2]=4 7358 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,0,0,1,0,0|3,0,0]=4 7359 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,0,0,1,0,0|2,0,0]=3 7360 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,0,0,1,0,0|3,0,0]=4 7361 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,0,0,1,0,0|3,0,0]=4 7362 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,0,0,1,0,0|3,0,0]=4 7363 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,0,0,1,0,0|2,0,0]=3 7364 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,0,0,1,0,0|3,0,0]=4 7365 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,0,0,1,0,0|3,0,0]=4 7366 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,0,0,1,0,0|2,0,0]=3 7367 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,0,0,1,0,0|2,0,0]=3 7368 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,0,0,1,0,0|1,0,2]=4 7369 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,0,0,1,0,0|1,0,2]=4 7370 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,0,0,1,0,0|3,0,0]=4 7371 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,0,0,1,0,0|3,0,0]=4 7372 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,0,0,1,0,0|2,0,0]=3 7373 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,0,0,1,0,0|2,0,0]=3 7374 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,0,0,1,0,0|3,0,0]=4 7375 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,0,0,1,0,0|3,0,0]=4 7376 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,0,0,1,0,0|2,0,0]=3 7377 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,0,0,1,0,0|2,0,0]=3 7378 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,0,0,1,0,0|3,0,0]=4 7379 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,0,0,1,0,0|3,0,0]=4 7380 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,0,0,1,0,0|3,0,0]=4 7381 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,0,0,1,0,0|3,0,0]=4 7382 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,0,0,1,0,0|3,0,0]=4 7383 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,0,0,1,0,0|3,0,0]=4 7384 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,0,0,1,0,0|3,0,0]=4 7385 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,0,0,1,0,0|3,0,0]=4 7386 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,0,0,1,0,0|3,0,0]=4 7387 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,0,0,1,0,0|3,0,0]=4 7388 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,0,0,1,0,0|3,0,0]=4 7389 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100000739092_100015307671 [0,0,0,1,0,0|3,0,0]=4 7390 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100015307671_100000739092 [0,0,0,1,0,0|3,0,0]=4 7391 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,0,0,1,0,0|3,0,0]=4 7392 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,0,0,1,0,0|3,0,0]=4 7393 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,0,0,1,0,0|3,0,0]=4 7394 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,0,0,1,0,0|3,0,0]=4 7395 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,0,0,1,0,0|3,0,0]=4 7396 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,0,0,1,0,0|3,0,0]=4 7397 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,0,0,1,0,0|3,0,0]=4 7398 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,0,0,1,0,0|3,0,0]=4 7399 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,0,0,1,0,0|3,0,0]=4 7400 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,0,0,1,0,0|3,0,0]=4 7401 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,0,0,1,0,0|3,0,0]=4 7402 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,0,0,1,0,0|3,0,0]=4 7403 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,0,0,1,0,0|3,0,0]=4 7404 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,0,0,1,0,0|3,0,0]=4 7405 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,0,0,1,0,0|3,0,0]=4 7406 B12R1.7 COCCNC[C@H]1COC(=O)N1 2230a_100000209980_100015307671 [0,0,0,1,0,0|3,0,0]=4 7407 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,0,0,1,0,0|3,0,0]=4 7408 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,0,0,1,0,0|3,0,0]=4 7409 B12R1.7 COCCOC[C@H]1COC(=O)N1 34a_100000210237_100015307671 [0,0,0,1,0,0|3,0,0]=4 7410 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,0,0,1,0,0|3,0,0]=4 7411 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,0,0,1,0,0|3,0,0]=4 7412 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100000233755_100015307671 [0,0,0,1,0,0|3,0,0]=4 7413 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100015307671_100000233755 [0,0,0,1,0,0|3,0,0]=4 7414 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,0,0,1,0,0|3,0,0]=4 7415 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,0,0,1,0,0|3,0,0]=4 7416 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,0,0,1,0,0|3,0,0]=4 7417 B12R1.7 CSCCNC[C@H]1COC(=O)N1 2230a_100020590264_100015307671 [0,0,0,1,0,0|3,0,0]=4 7418 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,0,0,1,0,0|3,0,0]=4 7419 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,0,0,1,0,0|3,0,0]=4 7420 B12R1.7 CSCCOC[C@H]1COC(=O)N1 34a_100000230434_100015307671 [0,0,0,1,0,0|3,0,0]=4 7421 B12R1.7 CSCCOC[C@H]1COC(=O)N1 7a_100000230434_100015307671 [0,0,0,1,0,0|3,0,0]=4 7422 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,0,0,1,0,0|3,0,0]=4 7423 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,0,0,1,0,0|3,0,0]=4 7424 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100000212216_100015307671 [0,0,0,1,0,0|3,0,0]=4 7425 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000751147 [0,0,0,1,0,0|3,0,0]=4 7426 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,0,0,1,0,0|3,0,0]=4 7427 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,0,0,1,0,0|3,0,0]=4 7428 B12R1.7 NCCCOC[C@H]1COC(=O)N1 34a_100000182051_100015307671 [0,0,0,1,0,0|3,0,0]=4 7429 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,0,0,1,0,0|3,0,0]=4 7430 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,0,0,1,0,0|3,0,0]=4 7431 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,0,0,1,0,0|3,0,0]=4 7432 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,0,0,1,0,0|3,0,0]=4 7433 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,0,0,1,0,0|3,0,0]=4 7434 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,0,0,1,0,0|3,0,0]=4 7435 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,0,0,1,0,0|3,0,0]=4 7436 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,0,0,1,0,0|3,0,0]=4 7437 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,0,0,1,0,0|3,0,0]=4 7438 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,0,0,1,0,0|3,0,0]=4 7439 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,0,0,1,0,0|3,0,0]=4 7440 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,0,0,1,0,0|3,0,0]=4 7441 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,0,0,1,0,0|3,0,0]=4 7442 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,0,0,1,0,0|3,0,0]=4 7443 B12R1.7 O=C1N[C@H](CO1)CNCCCF 2230a_100015189416_100015307671 [0,0,0,1,0,0|3,0,0]=4 7444 B12R1.7 O=C1N[C@H](CO1)CNCCCF 34a_100015189416_100015307671 [0,0,0,1,0,0|3,0,0]=4 7445 B12R1.7 O=C1N[C@H](CO1)COCCCBr 34a_100011217188_100015307671 [0,0,0,1,0,0|3,0,0]=4 7446 B12R1.7 O=C1N[C@H](CO1)COCCCCl 34a_100000230001_100015307671 [0,0,0,1,0,0|3,0,0]=4 7447 B12R1.7 O=C1N[C@H](CO1)COCCCF 34a_100000759539_100015307671 [0,0,0,1,0,0|3,0,0]=4 7448 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100011934791_100015307671 [0,0,0,1,0,0|3,0,0]=4 7449 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100015307671_100011934791 [0,0,0,1,0,0|3,0,0]=4 7450 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100011215043_100015307671 [0,0,0,1,0,0|3,0,0]=4 7451 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100015307671_100011215043 [0,0,0,1,0,0|3,0,0]=4 7452 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,0,0,1,0,0|3,0,0]=4 7453 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,0,0,1,0,0|3,0,0]=4 7454 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,0,0,1,0,0|3,0,0]=4 7455 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,0,0,1,0,0|3,0,0]=4 7456 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,0,0,1,0,0|3,0,0]=4 7457 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,0,0,1,0,0|3,0,0]=4 7458 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,0,0,1,0,0|3,0,0]=4 7459 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,0,0,1,0,0|3,0,0]=4 7460 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,0,0,1,0,0|3,0,0]=4 7461 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,0,0,1,0,0|3,0,0]=4 7462 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,0,0,1,0,0|3,0,0]=4 7463 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,0,0,1,0,0|3,0,0]=4 7464 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,0,0,1,0,0|3,0,0]=4 7465 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,0,0,1,0,0|3,0,0]=4 7466 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,0,0,1,0,0|3,0,0]=4 7467 B12R1.28 C#CCCCN1CCOC(=O)C1 2230a_100000131268_100000731252 [0,0,0,1,0,0|1,0,2]=4 7468 B12R1.28 C=CCCCN1CCOC(=O)C1 2230a_100000131268_100011713584 [0,0,0,1,0,0|1,0,2]=4 7469 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,0,0,1,0,0|1,0,2]=4 7470 B12R1.28 CCC#CCN1CCOC(=O)C1 2230a_100000131268_100009813939 [0,0,0,1,0,0|1,0,2]=4 7471 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,0,0,1,0,0|3,0,0]=4 7472 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,0,0,1,0,0|3,0,0]=4 7473 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,0,0,1,0,0|3,0,0]=4 7474 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,0,0,1,0,0|2,0,0]=3 7475 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,0,1,0,0|1,0,0]=2 7476 B12R1.28 CCCCCN1CCOC(C1)C 2230a_100000729577_100000210326 [0,0,0,1,0,0|2,0,1]=4 7477 B12R1.28 CCCCCN1CCOC(C1)C 269982a_100000729577_100000210215 [0,0,0,1,0,0|2,0,1]=4 7478 B12R1.28 CCCCCN1CCOC(C1)C 34a_100000729577_100000718602 [0,0,0,1,0,0|2,0,1]=4 7479 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,0,0,1,0,0|1,0,2]=4 7480 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,0,0,1,0,0|1,0,2]=4 7481 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,0,0,1,0,0|2,0,0]=3 7482 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,0,0,1,0,0|2,0,0]=3 7483 B12R1.28 CCCCNC1CCOC(C1)C 270004a_100000102301_100000755752 [0,0,0,1,0,0|2,0,1]=4 7484 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,0,0,1,0,0|3,0,0]=4 7485 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,0,0,1,0,0|2,0,0]=3 7486 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,0,0,1,0,0|2,0,1]=4 7487 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,0,0,1,0,0|2,0,1]=4 7488 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,0,0,1,0,0|2,0,0]=3 7489 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,0,0,1,0,0|3,0,0]=4 7490 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,0,0,1,0,0|2,0,0]=3 7491 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,0,0,1,0,0|3,0,0]=4 7492 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,0,0,1,0,0|2,0,0]=3 7493 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,0,0,1,0,0|3,0,0]=4 7494 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,0,0,1,0,0|2,0,0]=3 7495 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,0,0,1,0,0|3,0,0]=4 7496 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,0,0,1,0,0|3,0,0]=4 7497 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,0,0,1,0,0|2,0,0]=3 7498 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,0,0,1,0,0|3,0,0]=4 7499 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,0,0,1,0,0|3,0,0]=4 7500 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,0,0,1,0,0|3,0,0]=4 7501 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,0,0,1,0,0|3,0,0]=4 7502 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,0,0,1,0,0|3,0,0]=4 7503 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,0,0,1,0,0|3,0,0]=4 7504 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,0,0,1,0,0|3,0,0]=4 7505 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,0,0,1,0,0|3,0,0]=4 7506 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,0,0,1,0,0|3,0,0]=4 7507 B12R1.28 N#CCCCN1CCOC(=O)C1 2230a_100000131268_100000687738 [0,0,0,1,0,0|2,0,1]=4 7508 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,0,0,1,0,0|3,0,0]=4 7509 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,0,0,1,0,0|3,0,0]=4 7510 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,0,0,1,0,0|3,0,0]=4 7511 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,0,0,1,0,0|3,0,0]=4 7512 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,0,0,1,0,0|3,0,0]=4 7513 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,0,0,1,0,0|3,0,0]=4 7514 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,0,0,1,0,0|3,0,0]=4 7515 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,0,0,1,0,0|3,0,0]=4 7516 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,0,0,1,0,0|3,0,0]=4 7517 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,0,0,1,0,0|3,0,0]=4 7518 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,0,0,1,0,0|2,0,0]=3 7519 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,0,0,1,0,0|2,0,0]=3 7520 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,0,0,1,0,0|3,0,0]=4 7521 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,0,0,1,0,0|3,0,0]=4 7522 B12R1.28 O=CCCCN1CCOC(=O)C1 2230a_100000131268_200011292268 [0,0,0,1,0,0|2,0,1]=4 7523 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,0,0,1,0,0|3,0,0]=4 7524 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,0,0,1,0,0|3,0,0]=4 7525 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,0,0,1,0,0|3,0,0]=4 7526 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,0,0,1,0,0|3,0,0]=4 7527 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,0,0,1,0,0|3,0,0]=4 7528 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,0,0,1,0,0|2,0,0]=3 7529 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,0,0,1,0,0|2,0,0]=3 7530 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,0,0,1,0,0|2,0,0]=3 7531 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,0,0,1,0,0|2,0,0]=3 7532 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,0,0,1,0,0|2,0,0]=3 7533 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,0,0,1,0,0|2,0,0]=3 7534 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,0,0,1,0,0|3,0,0]=4 7535 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,0,0,1,0,0|3,0,0]=4 7536 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,0,0,1,0,0|3,0,0]=4 7537 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,0,0,1,0,0|3,0,0]=4 7538 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,0,0,1,0,0|3,0,0]=4 7539 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,0,0,1,0,0|3,0,0]=4 7540 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,0,0,1,0,0|3,0,0]=4 7541 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,0,0,1,0,0|3,0,0]=4 7542 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,0,0,1,0,0|3,0,0]=4 7543 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,0,0,1,0,0|3,0,0]=4 7544 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,0,0,1,0,0|3,0,0]=4 7545 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,0,0,1,0,0|3,0,0]=4 7546 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,0,0,1,0,0|3,0,0]=4 7547 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,0,0,1,0,0|3,0,0]=4 7548 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,0,0,1,0,0|3,0,0]=4 7549 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,0,0,1,0,0|3,0,0]=4 7550 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,0,0,1,0,0|3,0,0]=4 7551 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,0,0,1,0,0|3,0,0]=4 7552 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,0,0,1,0,0|3,0,0]=4 7553 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,0,0,1,0,0|3,0,0]=4 7554 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,0,0,1,0,0|3,0,0]=4 7555 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,0,0,1,0,0|3,0,0]=4 7556 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,0,0,1,0,0|3,0,0]=4 7557 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,0,0,1,0,0|3,0,0]=4 7558 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,0,0,1,0,0|3,0,0]=4 7559 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,0,0,1,0,0|3,0,0]=4 7560 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,0,0,1,0,0|3,0,0]=4 7561 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,0,0,1,0,0|3,0,0]=4 7562 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,0,0,1,0,0|3,0,0]=4 7563 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,0,0,1,0,0|3,0,0]=4 7564 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 7565 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 7566 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 7567 B12R1.75 CC(=O)NC1CCOCC1CO 240690a_214813039666_100015343762 [0,0,0,1,0,0|3,0,0]=4 7568 B12R1.75 CC(C)OC1CCCCC1CN 34a_100011216029_100000210206 [0,0,0,1,0,0|2,0,1]=4 7569 B12R1.75 CCC1CCCCC1OC(C)C 34a_100000210738_100000210206 [0,0,0,1,0,0|1,0,1]=3 7570 B12R1.75 CCC1CCCCC1OC(C)C 7a_100000210738_100000210206 [0,0,0,1,0,0|1,0,1]=3 7571 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,0,0,1,0,0|3,0,0]=4 7572 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,0,0,1,0,0|3,0,0]=4 7573 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,0,0,1,0,0|3,0,0]=4 7574 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,0,0,1,0,0|3,0,0]=4 7575 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,0,0,1,0,0|3,0,0]=4 7576 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,0,0,1,0,0|3,0,0]=4 7577 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,0,0,1,0,0|3,0,0]=4 7578 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,0,0,1,0,0|3,0,0]=4 7579 B12R1.75 CN[C@@H]1CCCC[C@H]1OC(C)C 34a_100000708425_100000210206 [0,0,0,1,0,0|2,0,1]=4 7580 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,0,0,1,0,0|2,0,0]=3 7581 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,0,0,1,0,0|2,0,0]=3 7582 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,0,0,1,0,0|2,0,0]=3 7583 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,0,0,1,0,0|2,0,0]=3 7584 B12R1.75 CO[C@H]1CCCC[C@@H]1OC(C)C 34a_200009815850_100000210206 [0,0,0,1,0,0|2,0,1]=4 7585 B12R1.75 CO[C@H]1CCCC[C@@H]1OC(C)C 7a_200009815850_100000210206 [0,0,0,1,0,0|2,0,1]=4 7586 B12R1.81 C=C(C)CCN1CCCC1CC 2230a_100000754278_100000730704 [0,0,0,1,0,0|3,0,0]=4 7587 B12R1.81 C=C(C)CCN1CCCC1CC 269982a_100000754278_100000730704 [0,0,0,1,0,0|3,0,0]=4 7588 B12R1.81 C=C(C)CCN1CCCC1CC 34a_100000754278_100000730704 [0,0,0,1,0,0|3,0,0]=4 7589 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,0,0,1,0,0|3,0,0]=4 7590 B12R1.81 CC(=O)OCN1CCC[C@@H]1C#N 269982a_106645074975_100000076356 [0,0,0,1,0,0|2,0,1]=4 7591 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000076356 [0,0,0,1,0,0|2,0,0]=3 7592 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100009813279 [0,0,0,1,0,0|2,0,0]=3 7593 B12R1.81 CCC1C=CCN1COC(=O)C 269982a_100000730860_100000076356 [0,0,0,1,0,0|1,0,2]=4 7594 B12R1.81 CCC1C=CCN1COC(=O)C 34a_100000730860_100009813279 [0,0,0,1,0,0|1,0,2]=4 7595 B12R1.81 CCC1CCCC1=NNC(=O)C 4a_100000189765_100000749056 [0,0,0,1,0,0|2,0,1]=4 7596 B12R1.81 CCC1CCCN1CC=C(C)C 2230a_100000754278_100000761012 [0,0,0,1,0,0|3,0,0]=4 7597 B12R1.81 CCC1CCCN1CC=C(C)C 269982a_100000754278_100000761012 [0,0,0,1,0,0|3,0,0]=4 7598 B12R1.81 CCC1CCCN1CC=C(C)C 34a_100000754278_100000761012 [0,0,0,1,0,0|3,0,0]=4 7599 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,0,0,1,0,0|2,0,0]=3 7600 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,0,0,1,0,0|3,0,0]=4 7601 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,0,0,1,0,0|3,0,0]=4 7602 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,0,0,1,0,0|3,0,0]=4 7603 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,0,0,1,0,0|1,0,0]=2 7604 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,0,0,1,0,0|1,0,0]=2 7605 B12R1.81 CCC1CCCN1COC(C)C 2230a_100000754278_100000709892 [0,0,0,1,0,0|2,0,1]=4 7606 B12R1.81 CCC1CCCN1COC(C)C 269982a_100000754278_100000709892 [0,0,0,1,0,0|2,0,1]=4 7607 B12R1.81 CCC1CCCN1COC(C)C 34a_100000754278_100000709892 [0,0,0,1,0,0|2,0,1]=4 7608 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,0,0,1,0,0|2,0,0]=3 7609 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,0,0,1,0,0|2,0,0]=3 7610 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,0,0,1,0,0|2,0,0]=3 7611 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,0,0,1,0,0|2,0,0]=3 7612 B12R1.81 CCN1CCC[C@@H]1COC(C)C 34a_100011739246_100000210206 [0,0,0,1,0,0|2,0,1]=4 7613 B12R1.81 CCN1CCC[C@@H]1COC(C)C 7a_100011739246_100000210206 [0,0,0,1,0,0|2,0,1]=4 7614 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 7615 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 7616 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 7617 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,0,0,1,0,0|3,0,0]=4 7618 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,0,0,1,0,0|3,0,0]=4 7619 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,0,0,1,0,0|3,0,0]=4 7620 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,0,0,1,0,0|3,0,0]=4 7621 B12R1.125 CC(=CCN1CCCCC1C)C 2230a_100000211376_100000761012 [0,0,0,1,0,0|3,0,0]=4 7622 B12R1.125 CC(=CCN1CCCCC1C)C 269982a_100000211376_100000761012 [0,0,0,1,0,0|3,0,0]=4 7623 B12R1.125 CC(=CCN1CCCCC1C)C 34a_100000211376_100000761012 [0,0,0,1,0,0|3,0,0]=4 7624 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,0,1,0,0|2,0,0]=3 7625 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,0,1,0,0|2,0,0]=3 7626 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,0,1,0,0|2,0,0]=3 7627 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,0,0,1,0,0|3,0,0]=4 7628 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,0,1,0,0|2,0,0]=3 7629 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,0,0,1,0,0|3,0,0]=4 7630 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,0,0,1,0,0|3,0,0]=4 7631 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,0,0,1,0,0|2,0,0]=3 7632 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,0,0,1,0,0|2,0,0]=3 7633 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,0,0,1,0,0|2,0,0]=3 7634 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,0,0,1,0,0|2,0,0]=3 7635 B12R1.125 CC(=O)NN=C1CCCCC1C 4a_100000189765_100000210921 [0,0,0,1,0,0|2,0,1]=4 7636 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,0,0,1,0,0|1,0,0]=2 7637 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,0,0,1,0,0|1,0,0]=2 7638 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000076356 [0,0,0,1,0,0|2,0,0]=3 7639 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100009813279 [0,0,0,1,0,0|2,0,0]=3 7640 B12R1.125 CC(C)OCC1CCCCN1C 34a_100000212225_100015186950 [0,0,0,1,0,0|2,0,1]=4 7641 B12R1.125 CC(C)OCC1CCCCN1C 34a_100000225079_100000210206 [0,0,0,1,0,0|2,0,1]=4 7642 B12R1.125 CC(C)OCN1CCCCC1C 2230a_100000211376_100000709892 [0,0,0,1,0,0|2,0,1]=4 7643 B12R1.125 CC(C)OCN1CCCCC1C 269982a_100000211376_100000709892 [0,0,0,1,0,0|2,0,1]=4 7644 B12R1.125 CC(C)OCN1CCCCC1C 34a_100000211376_100000709892 [0,0,0,1,0,0|2,0,1]=4 7645 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,0,1,0,0|3,0,0]=4 7646 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,0,1,0,0|3,0,0]=4 7647 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,0,1,0,0|3,0,0]=4 7648 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,0,1,0,0|3,0,0]=4 7649 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,0,1,0,0|3,0,0]=4 7650 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,0,1,0,0|2,0,0]=3 7651 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,0,1,0,0|3,0,0]=4 7652 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,0,1,0,0|3,0,0]=4 7653 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,0,1,0,0|3,0,0]=4 7654 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,0,1,0,0|3,0,0]=4 7655 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|3,0,0]=4 7656 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,0,1,0,0|2,0,0]=3 7657 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|3,0,0]=4 7658 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,0,0,1,0,0|3,0,0]=4 7659 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,0,0,1,0,0|3,0,0]=4 7660 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 2230a_100020605311_100011217483 [0,0,0,1,0,0|3,0,0]=4 7661 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 269982a_100020605311_100011217483 [0,0,0,1,0,0|3,0,0]=4 7662 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 2230a_100015189458_100011217483 [0,0,0,1,0,0|3,0,0]=4 7663 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 269982a_100015189458_100011217483 [0,0,0,1,0,0|3,0,0]=4 7664 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 34a_100015189458_100011217483 [0,0,0,1,0,0|3,0,0]=4 7665 B12R1.130 CC(=CCOC1CCCC1C)C 34a_100011216460_100000761012 [0,0,0,1,0,0|3,0,0]=4 7666 B12R1.130 CC(=CCOC1CCCC1C)C 7a_100011216460_100000761012 [0,0,0,1,0,0|3,0,0]=4 7667 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,0,0,1,0,0|2,0,0]=3 7668 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,0,0,1,0,0|2,0,0]=3 7669 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,0,0,1,0,0|2,0,0]=3 7670 B12R1.130 CC(=O)CCCN1CCSC1C 269982a_200011216479_100011215641 [0,0,0,1,0,0|3,0,0]=4 7671 B12R1.130 CC(=O)CCCN1CCSC1C 34a_200011216479_100000685027 [0,0,0,1,0,0|3,0,0]=4 7672 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,0,0,1,0,0|2,0,0]=3 7673 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,0,0,1,0,0|3,0,0]=4 7674 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,0,0,1,0,0|3,0,0]=4 7675 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,0,0,1,0,0|2,0,0]=3 7676 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,0,0,1,0,0|2,0,0]=3 7677 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,0,0,1,0,0|2,0,0]=3 7678 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,0,0,1,0,0|2,0,0]=3 7679 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,0,0,1,0,0|2,0,0]=3 7680 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,0,0,1,0,0|2,0,0]=3 7681 B12R1.130 CC(=O)NCCN1CCSC1C 2230a_200011216479_100000189650 [0,0,0,1,0,0|3,0,0]=4 7682 B12R1.130 CC(=O)NCCN1CCSC1C 269982a_200011216479_100000189650 [0,0,0,1,0,0|3,0,0]=4 7683 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,0,0,1,0,0|1,0,0]=2 7684 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,0,0,1,0,0|1,0,0]=2 7685 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,0,0,1,0,0|1,0,0]=2 7686 B12R1.130 CC(=O)OCCN1CCSC1C 269982a_200011216479_100009814007 [0,0,0,1,0,0|2,0,0]=3 7687 B12R1.130 CC(=O)OCCN1CCSC1C 34a_200011216479_100009814007 [0,0,0,1,0,0|2,0,0]=3 7688 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [0,0,0,1,0,0|2,0,1]=4 7689 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,0,0,1,0,0|1,0,0]=2 7690 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009813279 [0,0,0,1,0,0|2,0,0]=3 7691 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009813279 [0,0,0,1,0,0|2,0,0]=3 7692 B12R1.130 CC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100009813279 [0,0,0,1,0,0|2,0,0]=3 7693 B12R1.130 CC(=O)OCO[C@H]1COC[C@@H]1N 34a_100015191717_100009813279 [0,0,0,1,0,0|3,0,0]=4 7694 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [0,0,0,1,0,0|2,0,1]=4 7695 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [0,0,0,1,0,0|2,0,1]=4 7696 B12R1.130 CC(=O)OCSC1COCC1O 62a_100000076356_200000725654 [0,0,0,1,0,0|3,0,0]=4 7697 B12R1.130 CC(=O)OCSC1COCC1O 62a_200000725654_100000076356 [0,0,0,1,0,0|3,0,0]=4 7698 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_100000076356_200016002552 [0,0,0,1,0,0|2,0,0]=3 7699 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000076356 [0,0,0,1,0,0|2,0,0]=3 7700 B12R1.130 CC(C)OCCC1CCCN1C 34a_100000212225_100000005710 [0,0,0,1,0,0|2,0,1]=4 7701 B12R1.130 CC(C)OCCC1CCCN1C 34a_100011215177_100000210206 [0,0,0,1,0,0|2,0,1]=4 7702 B12R1.130 CC(C)OCCC1CCCN1C 7a_100011215177_100000210206 [0,0,0,1,0,0|2,0,1]=4 7703 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 2230a_100020605311_100000211751 [0,0,0,1,0,0|2,0,1]=4 7704 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 269982a_100020605311_100000211751 [0,0,0,1,0,0|2,0,1]=4 7705 B12R1.130 CC(C)OCCN1CCC[C@H]1C 2230a_100015189458_100000211751 [0,0,0,1,0,0|2,0,1]=4 7706 B12R1.130 CC(C)OCCN1CCC[C@H]1C 269982a_100015189458_100000211751 [0,0,0,1,0,0|2,0,1]=4 7707 B12R1.130 CC(C)OCCN1CCC[C@H]1C 34a_100015189458_100000211751 [0,0,0,1,0,0|2,0,1]=4 7708 B12R1.130 CC(C)OCOC1CCCC1C 34a_100011216460_100000709892 [0,0,0,1,0,0|2,0,1]=4 7709 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,0,0,1,0,0|3,0,0]=4 7710 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,0,0,1,0,0|3,0,0]=4 7711 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,0,0,1,0,0|3,0,0]=4 7712 B12R1.130 CC1SCCN1CCOC(=O)N 269982a_200011216479_200011214921 [0,0,0,1,0,0|3,0,0]=4 7713 B12R1.130 CC1SCCN1CCOC(=O)N 34a_200011216479_200011214921 [0,0,0,1,0,0|3,0,0]=4 7714 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,0,0,1,0,0|3,0,0]=4 7715 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,0,0,1,0,0|3,0,0]=4 7716 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 2230a_100015189458_200000034859 [0,0,0,1,0,0|3,0,0]=4 7717 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 269982a_100015189458_200000034859 [0,0,0,1,0,0|3,0,0]=4 7718 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,0,0,1,0,0|2,0,0]=3 7719 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,0,0,1,0,0|2,0,0]=3 7720 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,0,0,1,0,0|3,0,0]=4 7721 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 2230a_100020605311_200000034859 [0,0,0,1,0,0|3,0,0]=4 7722 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 269982a_100020605311_200000034859 [0,0,0,1,0,0|3,0,0]=4 7723 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,0,0,1,0,0|2,0,0]=3 7724 B12R1.143 CC(=CCCOCC1CC1C)C 34a_100000744939_100011217483 [0,0,0,1,0,0|3,0,0]=4 7725 B12R1.143 CC(=CCCOCC1CC1C)C 7a_100000744939_100011217483 [0,0,0,1,0,0|3,0,0]=4 7726 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817362 [0,0,0,1,0,0|3,0,0]=4 7727 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,0,0,1,0,0|2,0,0]=3 7728 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,0,0,1,0,0|2,0,0]=3 7729 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,0,0,1,0,0|2,0,0]=3 7730 B12R1.143 CC(=O)OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000042594 [0,0,0,1,0,0|2,0,0]=3 7731 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,0,0,1,0,0|1,0,0]=2 7732 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,0,0,1,0,0|1,0,0]=2 7733 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000038929 [0,0,0,1,0,0|2,1,0]=4 7734 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000038929 [0,0,0,1,0,0|2,1,0]=4 7735 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000038929 [0,0,0,1,0,0|2,1,0]=4 7736 B12R1.143 CC(=S)OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200135323944 [0,0,0,1,0,0|2,1,0]=4 7737 B12R1.143 CC(=S)OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200135323944 [0,0,0,1,0,0|2,1,0]=4 7738 B12R1.143 CC(=S)OCCCN[C@@H]1C[C@H]1F 34a_100025746932_200135323944 [0,0,0,1,0,0|2,1,0]=4 7739 B12R1.143 CC(C)OCCOCC1CC1C 34a_100000744939_100000211751 [0,0,0,1,0,0|2,0,1]=4 7740 B12R1.143 CC(C)OCCOCC1CC1C 7a_100000744939_100000211751 [0,0,0,1,0,0|2,0,1]=4 7741 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,0,0,1,0,0|3,0,0]=4 7742 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,0,0,1,0,0|3,0,0]=4 7743 B12R1.143 CC1CC1COCCNC(=O)N 7a_100000744939_200000034859 [0,0,0,1,0,0|3,0,0]=4 7744 B12R1.143 CC1CC1COCCOC(=O)N 34a_100000744939_200011214921 [0,0,0,1,0,0|2,0,0]=3 7745 B12R1.143 CC1CC1COCCOC(=O)N 7a_100000744939_200011214921 [0,0,0,1,0,0|2,0,0]=3 7746 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,0,0,1,0,0|3,0,0]=4 7747 B12R1.162 COCC1CCN1COC(=O)C 269982a_100015195929_100000076356 [0,0,0,1,0,0|2,0,0]=3 7748 B12R1.162 COCC1CCN1COC(=O)C 34a_100015195929_100009813279 [0,0,0,1,0,0|2,0,0]=3 7749 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,0,0,1,0,0|2,0,0]=3 7750 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,0,0,1,0,0|2,0,0]=3 7751 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,0,0,1,0,0|1,0,0]=2 7752 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,0,0,1,0,0|1,0,0]=2 7753 B12R1.229 CC(=O)OCCSC1CCC1=O 62a_100009814007_100009892977 [0,0,0,1,0,0|2,0,1]=4 7754 B12R1.229 CC(=O)OCCSC1CCC1=O 62a_100009892977_100009814007 [0,0,0,1,0,0|2,0,1]=4 7755 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,0,0,1,0,0|1,1,0]=3 7756 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,0,0,1,0,0|1,1,0]=3 7757 B12R1.229 CC(=S)OCCCN1CCC1C 269982a_100000755817_200135323944 [0,0,0,1,0,0|1,1,0]=3 7758 B12R1.229 CC(=S)OCCCN1CCC1C 34a_100000755817_200135323944 [0,0,0,1,0,0|1,1,0]=3 7759 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,0,0,1,0,0|3,0,0]=4 7760 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,0,0,1,0,0|3,0,0]=4 7761 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,0,0,1,0,0|3,0,0]=4 7762 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,0,0,1,0,0|3,0,0]=4 7763 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,0,0,1,0,0|3,0,0]=4 7764 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,0,0,1,0,0|3,0,0]=4 7765 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,0,0,1,0,0|3,0,0]=4 7766 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,0,0,1,0,0|3,0,0]=4 7767 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,0,0,1,0,0|3,0,0]=4 7768 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,0,0,1,0,0|3,0,0]=4 7769 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,0,0,1,0,0|3,0,0]=4 7770 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,0,0,1,0,0|3,0,0]=4 7771 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,0,0,1,0,0|3,0,0]=4 7772 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,0,0,1,0,0|3,0,0]=4 7773 B12R1.252 CC(=CCNC1CCCCC1)C 2230a_100000182618_100000761012 [0,0,0,1,0,0|3,0,0]=4 7774 B12R1.252 CC(=CCNC1CCCCC1)C 270004a_100000718196_100000210434 [0,0,0,1,0,0|3,0,0]=4 7775 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000182618_100000761012 [0,0,0,1,0,0|3,0,0]=4 7776 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000718196_100000210327 [0,0,0,1,0,0|3,0,0]=4 7777 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,0,0,1,0,0|3,0,0]=4 7778 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,0,0,1,0,0|3,0,0]=4 7779 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,0,0,1,0,0|3,0,0]=4 7780 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000210327_100000761012 [0,0,0,1,0,0|3,0,0]=4 7781 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000761012_100000210327 [0,0,0,1,0,0|3,0,0]=4 7782 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,0,0,1,0,0|2,0,1]=4 7783 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,0,0,1,0,0|1,0,0]=2 7784 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,0,0,1,0,0|1,0,0]=2 7785 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,0,0,1,0,0|2,0,0]=3 7786 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,0,0,1,0,0|2,0,0]=3 7787 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,0,0,1,0,0|3,0,0]=4 7788 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,0,0,1,0,0|3,0,0]=4 7789 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,0,0,1,0,0|3,0,0]=4 7790 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,0,0,1,0,0|3,0,0]=4 7791 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,0,0,1,0,0|3,0,0]=4 7792 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,0,0,1,0,0|3,0,0]=4 7793 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,0,0,1,0,0|2,0,0]=3 7794 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,0,0,1,0,0|2,0,0]=3 7795 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,0,0,1,0,0|2,0,0]=3 7796 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,0,0,1,0,0|2,0,0]=3 7797 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,0,0,1,0,0|3,0,0]=4 7798 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,0,0,1,0,0|3,0,0]=4 7799 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,0,0,1,0,0|3,0,0]=4 7800 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,0,0,1,0,0|3,0,0]=4 7801 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,0,0,1,0,0|3,0,0]=4 7802 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,0,0,1,0,0|3,0,0]=4 7803 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,0,0,1,0,0|3,0,0]=4 7804 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,0,0,1,0,0|3,0,0]=4 7805 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,0,0,1,0,0|2,0,0]=3 7806 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,0,0,1,0,0|2,0,0]=3 7807 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,0,0,1,0,0|3,0,0]=4 7808 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,0,0,1,0,0|3,0,0]=4 7809 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,0,0,1,0,0|3,0,0]=4 7810 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,0,0,1,0,0|2,0,0]=3 7811 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,0,0,1,0,0|3,0,0]=4 7812 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,0,0,1,0,0|3,0,0]=4 7813 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,0,0,1,0,0|3,0,0]=4 7814 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,0,0,1,0,0|3,0,0]=4 7815 B12R1.252 CC(=O)NCCC1=CCCCC1 11a_100000212019_100015343762 [0,0,0,1,0,0|1,0,2]=4 7816 B12R1.252 CC(=O)NCCC1=CCCCC1 1626a_100000212019_100015343762 [0,0,0,1,0,0|1,0,2]=4 7817 B12R1.252 CC(=O)NCCC1=CCCCC1 240690a_100000212019_100015343762 [0,0,0,1,0,0|1,0,2]=4 7818 B12R1.252 CC(=O)NCCC1=CCCCC1 527a_100000212019_100103153847 [0,0,0,1,0,0|1,0,2]=4 7819 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,0,0,1,0,0|1,0,0]=2 7820 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,0,0,1,0,0|1,0,0]=2 7821 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,0,0,1,0,0|1,0,0]=2 7822 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,0,0,1,0,0|1,0,0]=2 7823 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,0,0,1,0,0|2,0,0]=3 7824 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,0,0,1,0,0|2,0,0]=3 7825 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,0,0,1,0,0|2,0,0]=3 7826 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,0,0,1,0,0|2,0,0]=3 7827 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,0,0,1,0,0|2,0,0]=3 7828 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,0,0,1,0,0|2,0,0]=3 7829 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,0,0,1,0,0|2,0,0]=3 7830 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,0,0,1,0,0|2,0,0]=3 7831 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,0,0,1,0,0|2,0,0]=3 7832 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,0,0,1,0,0|2,0,0]=3 7833 B12R1.252 CC(=O)NCCN1CCCOC1 2230a_100000131196_100000189650 [0,0,0,1,0,0|3,0,0]=4 7834 B12R1.252 CC(=O)NCCN1CCCOC1 269982a_100000131196_100000189650 [0,0,0,1,0,0|3,0,0]=4 7835 B12R1.252 CC(=O)NCCN1CCOCC1 11a_100000211067_100015343762 [0,0,0,1,0,0|3,0,0]=4 7836 B12R1.252 CC(=O)NCCN1CCOCC1 2230a_100015191051_100000189650 [0,0,0,1,0,0|3,0,0]=4 7837 B12R1.252 CC(=O)NCCN1CCOCC1 240690a_100000211067_100015343762 [0,0,0,1,0,0|3,0,0]=4 7838 B12R1.252 CC(=O)NCCN1CCOCC1 269982a_100015191051_100000189650 [0,0,0,1,0,0|3,0,0]=4 7839 B12R1.252 CC(=O)NCCN1CCOCC1 527a_100000211067_100103153847 [0,0,0,1,0,0|3,0,0]=4 7840 B12R1.252 CC(=O)NCCN1CCSCC1 2230a_100000737611_100000189650 [0,0,0,1,0,0|3,0,0]=4 7841 B12R1.252 CC(=O)NCCN1CCSCC1 240690a_100000755026_100015343762 [0,0,0,1,0,0|3,0,0]=4 7842 B12R1.252 CC(=O)NCCN1CCSCC1 269982a_100000737611_100000189650 [0,0,0,1,0,0|3,0,0]=4 7843 B12R1.252 CC(=O)NCCN1CCSCC1 527a_100000755026_100103153847 [0,0,0,1,0,0|3,0,0]=4 7844 B12R1.252 CC(=O)NN=CC1CCCCC1 4a_100000189765_100000211278 [0,0,0,1,0,0|2,0,1]=4 7845 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,0,0,1,0,0|2,0,0]=3 7846 B12R1.252 CC(=O)NNCC1CCOCC1 22a_200000757053_100000070787 [0,0,0,1,0,0|3,0,0]=4 7847 B12R1.252 CC(=O)OCCN1CC=CCC1 269982a_100000698166_100009814007 [0,0,0,1,0,0|1,0,2]=4 7848 B12R1.252 CC(=O)OCCN1CC=CCC1 34a_100000698166_100009814007 [0,0,0,1,0,0|1,0,2]=4 7849 B12R1.252 CC(=O)OCCN1CCCOC1 269982a_100000131196_100009814007 [0,0,0,1,0,0|2,0,0]=3 7850 B12R1.252 CC(=O)OCCN1CCCOC1 34a_100000131196_100009814007 [0,0,0,1,0,0|2,0,0]=3 7851 B12R1.252 CC(=O)OCCN1CCOCC1 269982a_100015191051_100009814007 [0,0,0,1,0,0|2,0,0]=3 7852 B12R1.252 CC(=O)OCCN1CCOCC1 34a_100015191051_100009814007 [0,0,0,1,0,0|2,0,0]=3 7853 B12R1.252 CC(=O)OCCN1CCSCC1 269982a_100000737611_100009814007 [0,0,0,1,0,0|2,0,0]=3 7854 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,0,0,1,0,0|1,0,0]=2 7855 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,0,0,1,0,0|2,0,0]=3 7856 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,0,0,1,0,0|2,0,0]=3 7857 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,0,0,1,0,0|2,0,0]=3 7858 B12R1.252 CC(=O)OCOC1C=CCCC1 34a_100011215024_100009813279 [0,0,0,1,0,0|1,0,2]=4 7859 B12R1.252 CC(=O)OCOC1CC=CCC1 34a_100000073881_100009813279 [0,0,0,1,0,0|1,0,2]=4 7860 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,0,0,1,0,0|1,0,0]=2 7861 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,0,0,1,0,0|2,0,0]=3 7862 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,0,0,1,0,0|2,0,0]=3 7863 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,0,0,1,0,0|2,0,0]=3 7864 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,0,0,1,0,0|2,0,0]=3 7865 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000076356_100000751183 [0,0,0,1,0,0|1,0,2]=4 7866 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000751183_100000076356 [0,0,0,1,0,0|1,0,2]=4 7867 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,0,0,1,0,0|1,0,0]=2 7868 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,0,0,1,0,0|1,0,0]=2 7869 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,0,0,1,0,0|2,0,0]=3 7870 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,0,0,1,0,0|2,0,0]=3 7871 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,0,0,1,0,0|2,0,0]=3 7872 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100000738074_100000210206 [0,0,0,1,0,0|2,0,1]=4 7873 B12R1.252 CC(C)NCCC1CCCCC1 2230a_100138425928_100012355289 [0,0,0,1,0,0|2,0,1]=4 7874 B12R1.252 CC(C)NCCC1CCCCC1 34a_100000738074_100000210206 [0,0,0,1,0,0|2,0,1]=4 7875 B12R1.252 CC(C)NCCC1CCCCC1 34a_100138425928_100011209188 [0,0,0,1,0,0|2,0,1]=4 7876 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,0,0,1,0,0|1,0,1]=3 7877 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,0,0,1,0,0|1,0,1]=3 7878 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,0,0,1,0,0|1,0,1]=3 7879 B12R1.252 CC(C)OCCC1CCCCN1 34a_100000211664_100000210206 [0,0,0,1,0,0|2,0,1]=4 7880 B12R1.252 CC(C)OCCC1CCCNC1 34a_100000752241_100000210206 [0,0,0,1,0,0|2,0,1]=4 7881 B12R1.252 CC(C)OCCC1CCNCC1 34a_100015190746_100000210206 [0,0,0,1,0,0|2,0,1]=4 7882 B12R1.252 CC(C)OCCC1CCOCC1 34a_100000212225_100011934994 [0,0,0,1,0,0|2,0,1]=4 7883 B12R1.252 CC(C)OCCC1CCOCC1 34a_100011933979_100000210206 [0,0,0,1,0,0|2,0,1]=4 7884 B12R1.252 CC(C)OCCC1CCOCC1 7a_100011933979_100000210206 [0,0,0,1,0,0|2,0,1]=4 7885 B12R1.252 CC(C)OCCN1CCCCC1 34a_100000212225_100000739454 [0,0,0,1,0,0|2,0,1]=4 7886 B12R1.252 CC(C)OCNC1CCCCC1 2230a_100000182618_100000709892 [0,0,0,1,0,0|2,0,1]=4 7887 B12R1.252 CC(C)OCNC1CCCCC1 34a_100000182618_100000709892 [0,0,0,1,0,0|2,0,1]=4 7888 B12R1.252 CC(C)OCOC1CCCCC1 34a_100000210231_100000709892 [0,0,0,1,0,0|2,0,1]=4 7889 B12R1.252 CC(C)OCOC1CCCCC1 34a_100000212225_100011935260 [0,0,0,1,0,0|2,0,1]=4 7890 B12R1.252 CC(C)OCSC1CCCCC1 62a_100000210327_100000709892 [0,0,0,1,0,0|2,0,1]=4 7891 B12R1.252 CC(C)OCSC1CCCCC1 62a_100000709892_100000210327 [0,0,0,1,0,0|2,0,1]=4 7892 B12R1.252 CC(C)SCCC1CCCCC1 62a_100000210206_100012355289 [0,0,0,1,0,0|1,1,1]=4 7893 B12R1.252 CC(C)SCCC1CCCCC1 62a_100012355289_100000210206 [0,0,0,1,0,0|1,1,1]=4 7894 B12R1.252 CN(C)CCCC1CCCCC1 2230a_100102631434_100011713725 [0,0,0,1,0,0|3,0,0]=4 7895 B12R1.252 CN(C)CCCC1CCCCC1 269982a_100102631434_100011713725 [0,0,0,1,0,0|3,0,0]=4 7896 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,0,0,1,0,0|3,0,0]=4 7897 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,0,0,1,0,0|3,0,0]=4 7898 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,0,0,1,0,0|3,0,0]=4 7899 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,0,0,1,0,0|3,0,0]=4 7900 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,0,0,1,0,0|3,0,0]=4 7901 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,0,0,1,0,0|3,0,0]=4 7902 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,0,0,1,0,0|3,0,0]=4 7903 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,0,0,1,0,0|3,0,0]=4 7904 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,0,0,1,0,0|3,0,0]=4 7905 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,0,0,1,0,0|3,0,0]=4 7906 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,0,0,1,0,0|3,0,0]=4 7907 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,0,0,1,0,0|3,0,0]=4 7908 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,0,0,1,0,0|3,0,0]=4 7909 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,0,0,1,0,0|3,0,0]=4 7910 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,0,0,1,0,0|3,0,0]=4 7911 B12R1.252 NC(=O)OCCN1CCCOC1 269982a_100000131196_200011214921 [0,0,0,1,0,0|3,0,0]=4 7912 B12R1.252 NC(=O)OCCN1CCCOC1 34a_100000131196_200011214921 [0,0,0,1,0,0|3,0,0]=4 7913 B12R1.252 NC(=O)OCCN1CCOCC1 269982a_100015191051_200011214921 [0,0,0,1,0,0|3,0,0]=4 7914 B12R1.252 NC(=O)OCCN1CCOCC1 34a_100015191051_200011214921 [0,0,0,1,0,0|3,0,0]=4 7915 B12R1.252 NC(=O)OCCN1CCSCC1 269982a_100000737611_200011214921 [0,0,0,1,0,0|3,0,0]=4 7916 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,0,0,1,0,0|3,0,0]=4 7917 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,0,0,1,0,0|3,0,0]=4 7918 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,0,0,1,0,0|3,0,0]=4 7919 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,0,0,1,0,0|3,0,0]=4 7920 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,0,0,1,0,0|3,0,0]=4 7921 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,0,0,1,0,0|2,0,1]=4 7922 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,0,0,1,0,0|1,0,0]=2 7923 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,0,0,1,0,0|2,0,0]=3 7924 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,0,0,1,0,0|3,0,0]=4 7925 B12R1.255 C=C(C)CCNCC1CCCC1 2230a_100000737975_100000730704 [0,0,0,1,0,0|3,0,0]=4 7926 B12R1.255 C=C(C)CCNCC1CCCC1 34a_100000737975_100000730704 [0,0,0,1,0,0|3,0,0]=4 7927 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,0,0,1,0,0|3,0,0]=4 7928 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,0,0,1,0,0|3,0,0]=4 7929 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,0,0,1,0,0|3,0,0]=4 7930 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000730704_100000740388 [0,0,0,1,0,0|3,0,0]=4 7931 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000740388_100000730704 [0,0,0,1,0,0|3,0,0]=4 7932 B12R1.255 C=C(C)CNCCC1CCCC1 2230a_100000739158_100000748629 [0,0,0,1,0,0|3,0,0]=4 7933 B12R1.255 C=C(C)CNCCC1CCCC1 34a_100000739158_100000748629 [0,0,0,1,0,0|3,0,0]=4 7934 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,0,0,1,0,0|3,0,0]=4 7935 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,0,0,1,0,0|3,0,0]=4 7936 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,0,0,1,0,0|3,0,0]=4 7937 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000748629_100000760354 [0,0,0,1,0,0|3,0,0]=4 7938 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000760354_100000211660 [0,0,0,1,0,0|3,0,0]=4 7939 B12R1.255 CC(=CCCNC1CCCC1)C 2230a_100000211070_100011217483 [0,0,0,1,0,0|3,0,0]=4 7940 B12R1.255 CC(=CCCNC1CCCC1)C 34a_100000211070_100011217483 [0,0,0,1,0,0|3,0,0]=4 7941 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,0,0,1,0,0|3,0,0]=4 7942 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,0,0,1,0,0|3,0,0]=4 7943 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217020_100011217483 [0,0,0,1,0,0|3,0,0]=4 7944 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217483_100000179811 [0,0,0,1,0,0|3,0,0]=4 7945 B12R1.255 CC(=CCNCC1CCCC1)C 2230a_100000737975_100000761012 [0,0,0,1,0,0|3,0,0]=4 7946 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000718196_100000740388 [0,0,0,1,0,0|3,0,0]=4 7947 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000737975_100000761012 [0,0,0,1,0,0|3,0,0]=4 7948 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,0,0,1,0,0|3,0,0]=4 7949 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,0,0,1,0,0|3,0,0]=4 7950 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,0,0,1,0,0|3,0,0]=4 7951 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000740388_100000761012 [0,0,0,1,0,0|3,0,0]=4 7952 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000761012_100000740388 [0,0,0,1,0,0|3,0,0]=4 7953 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,0,0,1,0,0|3,0,0]=4 7954 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,0,0,1,0,0|2,0,0]=3 7955 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,0,0,1,0,0|3,0,0]=4 7956 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,0,0,1,0,0|3,0,0]=4 7957 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,0,0,1,0,0|2,0,0]=3 7958 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,0,0,1,0,0|3,0,0]=4 7959 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,0,0,1,0,0|2,0,0]=3 7960 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,0,0,1,0,0|2,0,0]=3 7961 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,0,0,1,0,0|2,0,0]=3 7962 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,0,0,1,0,0|2,0,0]=3 7963 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,0,0,1,0,0|3,0,0]=4 7964 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,0,0,1,0,0|3,0,0]=4 7965 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,0,0,1,0,0|3,0,0]=4 7966 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,0,0,1,0,0|3,0,0]=4 7967 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,0,0,1,0,0|3,0,0]=4 7968 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,0,0,1,0,0|2,0,0]=3 7969 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,0,0,1,0,0|2,0,0]=3 7970 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,0,0,1,0,0|3,0,0]=4 7971 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,0,0,1,0,0|2,0,0]=3 7972 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,0,0,1,0,0|2,0,0]=3 7973 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,0,0,1,0,0|2,0,0]=3 7974 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,0,0,1,0,0|3,0,0]=4 7975 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,0,0,1,0,0|3,0,0]=4 7976 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,0,0,1,0,0|3,0,0]=4 7977 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,0,0,1,0,0|3,0,0]=4 7978 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,0,0,1,0,0|2,0,0]=3 7979 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,0,0,1,0,0|2,0,0]=3 7980 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,0,0,1,0,0|3,0,0]=4 7981 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,0,0,1,0,0|3,0,0]=4 7982 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,0,0,1,0,0|3,0,0]=4 7983 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,0,0,1,0,0|3,0,0]=4 7984 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,0,0,1,0,0|2,0,0]=3 7985 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,0,0,1,0,0|3,0,0]=4 7986 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,0,0,1,0,0|1,0,0]=2 7987 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,0,0,1,0,0|1,0,0]=2 7988 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,0,0,1,0,0|1,0,0]=2 7989 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,0,0,1,0,0|1,0,0]=2 7990 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,0,0,1,0,0|2,0,0]=3 7991 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,0,0,1,0,0|2,0,0]=3 7992 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,0,0,1,0,0|2,0,0]=3 7993 B12R1.255 CC(=O)NCCNC1CCOC1 2230a_100000209853_100000731011 [0,0,0,1,0,0|3,0,0]=4 7994 B12R1.255 CC(=O)NCCN[C@@H]1CCOC1 2230a_200015188469_100000189650 [0,0,0,1,0,0|3,0,0]=4 7995 B12R1.255 CC(=O)NCCN[C@H]1CCOC1 2230a_100015188467_100000189650 [0,0,0,1,0,0|3,0,0]=4 7996 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,0,0,1,0,0|2,0,0]=3 7997 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,0,0,1,0,0|2,0,0]=3 7998 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,0,0,1,0,0|2,0,0]=3 7999 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,0,0,1,0,0|2,0,0]=3 8000 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,0,0,1,0,0|2,0,0]=3 8001 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,0,0,1,0,0|2,0,0]=3 8002 B12R1.255 CC(=O)NCCOC1CCOC1 34a_100000158858_100000690089 [0,0,0,1,0,0|3,0,0]=4 8003 B12R1.255 CC(=O)NCCOC1CCSC1 7a_100011232664_100000189650 [0,0,0,1,0,0|3,0,0]=4 8004 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,0,0,1,0,0|2,0,0]=3 8005 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,0,0,1,0,0|2,0,0]=3 8006 B12R1.255 CC(=O)NCCSC1CCOC1 62a_100000189650_100000690089 [0,0,0,1,0,0|3,0,0]=4 8007 B12R1.255 CC(=O)OCCCN1CC=CC1 269982a_100015195280_100000042594 [0,0,0,1,0,0|1,0,2]=4 8008 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,0,0,1,0,0|1,0,0]=2 8009 B12R1.255 CC(=O)OCCCN1CCSC1 269982a_100011215254_100000042594 [0,0,0,1,0,0|2,0,0]=3 8010 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,0,0,1,0,0|1,0,0]=2 8011 B12R1.255 CC(=O)OCCN[C@H]1CCOC1 34a_100015188467_100009814007 [0,0,0,1,0,0|2,0,0]=3 8012 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,0,0,1,0,0|1,0,0]=2 8013 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,0,0,1,0,0|1,0,0]=2 8014 B12R1.255 CC(=O)OCCOC1CCCO1 34a_100000085407_100009814007 [0,0,0,1,0,0|2,0,0]=3 8015 B12R1.255 CC(=O)OCCOC1CCSC1 7a_100011232664_100009814007 [0,0,0,1,0,0|2,0,0]=3 8016 B12R1.255 CC(=O)OCCO[C@H]1CCOC1 34a_100000717292_100009814007 [0,0,0,1,0,0|2,0,0]=3 8017 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,0,0,1,0,0|1,0,0]=2 8018 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,0,0,1,0,0|1,0,0]=2 8019 B12R1.255 CC(=O)OCCSC1CCOC1 62a_100009814007_100000690089 [0,0,0,1,0,0|2,0,0]=3 8020 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,0,0,1,0,0|1,0,0]=2 8021 B12R1.255 CC(=O)OCNCC1CCOC1 34a_100000737293_100009813279 [0,0,0,1,0,0|2,0,0]=3 8022 B12R1.255 CC(=O)OCNCC1OCCO1 34a_100000036311_100009813279 [0,0,0,1,0,0|3,0,0]=4 8023 B12R1.255 CC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100009813279 [0,0,0,1,0,0|2,0,0]=3 8024 B12R1.255 CC(=O)OCOCC1CC=CC1 34a_100000688395_100009813279 [0,0,0,1,0,0|1,0,2]=4 8025 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,0,0,1,0,0|1,0,0]=2 8026 B12R1.255 CC(=O)OCOCC1CCCO1 34a_100000210270_100009813279 [0,0,0,1,0,0|2,0,0]=3 8027 B12R1.255 CC(=O)OCOCC1CCNC1 34a_100000748654_100009813279 [0,0,0,1,0,0|2,0,0]=3 8028 B12R1.255 CC(=O)OCOCC1CCOC1 34a_100000740260_100009813279 [0,0,0,1,0,0|2,0,0]=3 8029 B12R1.255 CC(=O)OCOCC1COCO1 34a_100011216627_100009813279 [0,0,0,1,0,0|3,0,0]=4 8030 B12R1.255 CC(=O)OCOCC1OCCO1 34a_100000087154_100009813279 [0,0,0,1,0,0|3,0,0]=4 8031 B12R1.255 CC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100009813279 [0,0,0,1,0,0|2,0,0]=3 8032 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,0,0,1,0,0|1,0,0]=2 8033 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,0,0,1,0,0|1,0,0]=2 8034 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000076356_100000203698 [0,0,0,1,0,0|2,0,0]=3 8035 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000203698_100000076356 [0,0,0,1,0,0|2,0,0]=3 8036 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000076356_100000702531 [0,0,0,1,0,0|2,0,0]=3 8037 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000702531_100000076356 [0,0,0,1,0,0|2,0,0]=3 8038 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000076356_100000755774 [0,0,0,1,0,0|3,0,0]=4 8039 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000755774_100000076356 [0,0,0,1,0,0|3,0,0]=4 8040 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,0,0,1,0,0|1,1,0]=3 8041 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,0,0,1,0,0|1,1,0]=3 8042 B12R1.255 CC(=O)SCCCN1CCSC1 2230a_100011215254_100000038929 [0,0,0,1,0,0|2,1,0]=4 8043 B12R1.255 CC(=O)SCCCN1CCSC1 269982a_100011215254_100000038929 [0,0,0,1,0,0|2,1,0]=4 8044 B12R1.255 CC(=S)OCCCN1CCCC1 2230a_100000188435_200135323944 [0,0,0,1,0,0|1,1,0]=3 8045 B12R1.255 CC(=S)OCCCN1CCCC1 269982a_100000188435_200135323944 [0,0,0,1,0,0|1,1,0]=3 8046 B12R1.255 CC(=S)OCCCN1CCSC1 2230a_100011215254_200135323944 [0,0,0,1,0,0|2,1,0]=4 8047 B12R1.255 CC(=S)OCCCN1CCSC1 269982a_100011215254_200135323944 [0,0,0,1,0,0|2,1,0]=4 8048 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100000736752_100000210206 [0,0,0,1,0,0|2,0,1]=4 8049 B12R1.255 CC(C)NCCCC1CCCC1 2230a_100138425928_100011713738 [0,0,0,1,0,0|2,0,1]=4 8050 B12R1.255 CC(C)NCCCC1CCCC1 34a_100000736752_100000210206 [0,0,0,1,0,0|2,0,1]=4 8051 B12R1.255 CC(C)NCCCC1CCCC1 34a_100138425928_100011713738 [0,0,0,1,0,0|2,0,1]=4 8052 B12R1.255 CC(C)OCCCC1CCCC1 34a_100000212225_100011713738 [0,0,0,1,0,0|1,0,1]=3 8053 B12R1.255 CC(C)OCCCC1CCCC1 34a_100011215328_100000210206 [0,0,0,1,0,0|1,0,1]=3 8054 B12R1.255 CC(C)OCCCC1CCCC1 7a_100011215328_100000210206 [0,0,0,1,0,0|1,0,1]=3 8055 B12R1.255 CC(C)OCCCN1CCCC1 34a_100000212225_100016991639 [0,0,0,1,0,0|2,0,1]=4 8056 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000211070_100000211751 [0,0,0,1,0,0|2,0,1]=4 8057 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000701111_100000179811 [0,0,0,1,0,0|2,0,1]=4 8058 B12R1.255 CC(C)OCCNC1CCCC1 270004a_100000701111_100000210133 [0,0,0,1,0,0|2,0,1]=4 8059 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000211070_100000211751 [0,0,0,1,0,0|2,0,1]=4 8060 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000701111_100000179811 [0,0,0,1,0,0|2,0,1]=4 8061 B12R1.255 CC(C)OCCNC1CCCC1 34a_200000200444_100000210206 [0,0,0,1,0,0|2,0,1]=4 8062 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000210269_100000211751 [0,0,0,1,0,0|2,0,1]=4 8063 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000211219_100000179811 [0,0,0,1,0,0|2,0,1]=4 8064 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000738311_100000210206 [0,0,0,1,0,0|2,0,1]=4 8065 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000210269_100000211751 [0,0,0,1,0,0|2,0,1]=4 8066 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000211219_100000179811 [0,0,0,1,0,0|2,0,1]=4 8067 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000738311_100000210206 [0,0,0,1,0,0|2,0,1]=4 8068 B12R1.255 CC(C)OCCSC1CCCC1 62a_100000211751_100000179811 [0,0,0,1,0,0|2,0,1]=4 8069 B12R1.255 CC(C)OCCSC1CCCC1 62a_100011217020_100000211751 [0,0,0,1,0,0|2,0,1]=4 8070 B12R1.255 CC(C)OCNCC1CCCC1 2230a_100000737975_100000709892 [0,0,0,1,0,0|2,0,1]=4 8071 B12R1.255 CC(C)OCNCC1CCCC1 34a_100000737975_100000709892 [0,0,0,1,0,0|2,0,1]=4 8072 B12R1.255 CC(C)OCOCC1CCCC1 34a_100000742336_100000709892 [0,0,0,1,0,0|2,0,1]=4 8073 B12R1.255 CC(C)OCSCC1CCCC1 62a_100000709892_100000740388 [0,0,0,1,0,0|2,0,1]=4 8074 B12R1.255 CC(C)OCSCC1CCCC1 62a_100000740388_100000709892 [0,0,0,1,0,0|2,0,1]=4 8075 B12R1.255 CC(C)SCCCC1CCCC1 62a_100000210206_100011713738 [0,0,0,1,0,0|1,1,1]=4 8076 B12R1.255 CC(C)SCCCC1CCCC1 62a_100011713738_100000210206 [0,0,0,1,0,0|1,1,1]=4 8077 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,0,0,1,0,0|3,0,0]=4 8078 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,0,0,1,0,0|3,0,0]=4 8079 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,0,0,1,0,0|3,0,0]=4 8080 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,0,0,1,0,0|3,0,0]=4 8081 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,0,0,1,0,0|3,0,0]=4 8082 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,0,0,1,0,0|3,0,0]=4 8083 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,0,0,1,0,0|3,0,0]=4 8084 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,0,0,1,0,0|3,0,0]=4 8085 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,0,0,1,0,0|3,0,0]=4 8086 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,0,0,1,0,0|3,0,0]=4 8087 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,0,0,1,0,0|3,0,0]=4 8088 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,0,0,1,0,0|3,0,0]=4 8089 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,0,0,1,0,0|3,0,0]=4 8090 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,0,0,1,0,0|3,0,0]=4 8091 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,0,0,1,0,0|3,0,0]=4 8092 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,0,0,1,0,0|3,0,0]=4 8093 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,0,0,1,0,0|3,0,0]=4 8094 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,0,0,1,0,0|3,0,0]=4 8095 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,0,0,1,0,0|3,0,0]=4 8096 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,0,0,1,0,0|3,0,0]=4 8097 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,0,0,1,0,0|3,0,0]=4 8098 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,0,0,1,0,0|3,0,0]=4 8099 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,0,0,1,0,0|3,0,0]=4 8100 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,0,0,1,0,0|3,0,0]=4 8101 B12R1.255 NC(=O)NCCNC1CCCC1 2230a_100000211070_200000034859 [0,0,0,1,0,0|3,0,0]=4 8102 B12R1.255 NC(=O)NCCNC1CCCC1 34a_100020590234_100000179811 [0,0,0,1,0,0|3,0,0]=4 8103 B12R1.255 NC(=O)NCCOC1CCCC1 34a_100000181757_100000179811 [0,0,0,1,0,0|3,0,0]=4 8104 B12R1.255 NC(=O)NCCOC1CCCC1 7a_100000210269_200000034859 [0,0,0,1,0,0|3,0,0]=4 8105 B12R1.255 NC(=O)NCCSC1CCCC1 62a_100011217020_200000034859 [0,0,0,1,0,0|3,0,0]=4 8106 B12R1.255 NC(=O)NCCSC1CCCC1 62a_200000034859_100000179811 [0,0,0,1,0,0|3,0,0]=4 8107 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,0,0,1,0,0|2,0,0]=3 8108 B12R1.255 NC(=O)OCCN[C@H]1CCOC1 34a_100015188467_200011214921 [0,0,0,1,0,0|3,0,0]=4 8109 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,0,0,1,0,0|2,0,0]=3 8110 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,0,0,1,0,0|2,0,0]=3 8111 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,0,0,1,0,0|2,0,0]=3 8112 B12R1.255 NC(=O)OCCOC1CCCO1 34a_100000085407_200011214921 [0,0,0,1,0,0|3,0,0]=4 8113 B12R1.255 NC(=O)OCCOC1CCOC1 7a_100000766696_100000731011 [0,0,0,1,0,0|3,0,0]=4 8114 B12R1.255 NC(=O)OCCOC1CCSC1 7a_100011232664_200011214921 [0,0,0,1,0,0|3,0,0]=4 8115 B12R1.255 NC(=O)OCCO[C@H]1CCOC1 34a_100000717292_200011214921 [0,0,0,1,0,0|3,0,0]=4 8116 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,0,0,1,0,0|2,0,0]=3 8117 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,0,0,1,0,0|2,0,0]=3 8118 B12R1.255 NC(=O)OCCSC1CCOC1 62a_200011214921_100000690089 [0,0,0,1,0,0|3,0,0]=4 8119 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,0,0,1,0,0|3,0,0]=4 8120 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,0,0,1,0,0|3,0,0]=4 8121 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,0,0,1,0,0|3,0,0]=4 8122 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,0,0,1,0,0|3,0,0]=4 8123 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,0,0,1,0,0|3,0,0]=4 8124 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,0,0,1,0,0|3,0,0]=4 8125 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,0,0,1,0,0|3,0,0]=4 8126 B12R1.257 CC(=CCCNCC1CCC1)C 2230a_100000738700_100011217483 [0,0,0,1,0,0|3,0,0]=4 8127 B12R1.257 CC(=CCCNCC1CCC1)C 34a_100000738700_100011217483 [0,0,0,1,0,0|3,0,0]=4 8128 B12R1.257 CC(=CCCOCC1CCC1)C 34a_100000760304_100011217483 [0,0,0,1,0,0|3,0,0]=4 8129 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100000763275_100011217483 [0,0,0,1,0,0|3,0,0]=4 8130 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100011217483_100000763275 [0,0,0,1,0,0|3,0,0]=4 8131 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,0,0,1,0,0|2,0,0]=3 8132 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,0,0,1,0,0|2,0,0]=3 8133 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,0,0,1,0,0|3,0,0]=4 8134 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,0,0,1,0,0|2,0,0]=3 8135 B12R1.257 CC(=O)CCCCSC1COC1 62a_100000735457_100009818527 [0,0,0,1,0,0|3,0,0]=4 8136 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,0,0,1,0,0|2,0,0]=3 8137 B12R1.257 CC(=O)CCCNCC1COC1 34a_100015281925_100000685027 [0,0,0,1,0,0|3,0,0]=4 8138 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,0,0,1,0,0|3,0,0]=4 8139 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,0,0,1,0,0|2,0,0]=3 8140 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,0,0,1,0,0|2,0,0]=3 8141 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,0,0,1,0,0|2,0,0]=3 8142 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,0,0,1,0,0|3,0,0]=4 8143 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,0,0,1,0,0|3,0,0]=4 8144 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,0,0,1,0,0|3,0,0]=4 8145 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,0,0,1,0,0|3,0,0]=4 8146 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,0,0,1,0,0|3,0,0]=4 8147 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,0,0,1,0,0|3,0,0]=4 8148 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,0,0,1,0,0|3,0,0]=4 8149 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,0,0,1,0,0|2,0,0]=3 8150 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,0,0,1,0,0|2,0,0]=3 8151 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,0,0,1,0,0|3,0,0]=4 8152 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,0,0,1,0,0|3,0,0]=4 8153 B12R1.257 CC(=O)CCCSCC1COC1 62a_100010264016_100011215641 [0,0,0,1,0,0|3,0,0]=4 8154 B12R1.257 CC(=O)CCCSCC1COC1 62a_100011215641_100010264016 [0,0,0,1,0,0|3,0,0]=4 8155 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,0,0,1,0,0|2,0,0]=3 8156 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,0,0,1,0,0|2,0,0]=3 8157 B12R1.257 CC(=O)NCCCNC1COC1 34a_100000736810_100009818527 [0,0,0,1,0,0|3,0,0]=4 8158 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,0,0,1,0,0|2,0,0]=3 8159 B12R1.257 CC(=O)NCCCOC1COC1 34a_100000752032_100009818527 [0,0,0,1,0,0|3,0,0]=4 8160 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,0,0,1,0,0|2,0,0]=3 8161 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,0,0,1,0,0|2,0,0]=3 8162 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,0,0,1,0,0|2,0,0]=3 8163 B12R1.257 CC(=O)NCCNCC1CCO1 2230a_100000209853_100000103362 [0,0,0,1,0,0|3,0,0]=4 8164 B12R1.257 CC(=O)NCCNCC1COC1 2230a_100000209853_100010264016 [0,0,0,1,0,0|3,0,0]=4 8165 B12R1.257 CC(=O)NCCNCC1COC1 2230a_100015281925_100000189650 [0,0,0,1,0,0|3,0,0]=4 8166 B12R1.257 CC(=O)NCCNC[C@@H]1CCO1 2230a_100020831831_100000189650 [0,0,0,1,0,0|3,0,0]=4 8167 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,0,0,1,0,0|2,0,0]=3 8168 B12R1.257 CC(=O)NCCOCC1CCO1 34a_100000158858_100000103362 [0,0,0,1,0,0|3,0,0]=4 8169 B12R1.257 CC(=O)NCCOCC1COC1 34a_100000158858_100010264016 [0,0,0,1,0,0|3,0,0]=4 8170 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,0,0,1,0,0|2,0,0]=3 8171 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,0,0,1,0,0|2,0,0]=3 8172 B12R1.257 CC(=O)NCCSCC1CCO1 62a_100000103362_100000189650 [0,0,0,1,0,0|3,0,0]=4 8173 B12R1.257 CC(=O)NCCSCC1CCO1 62a_100000189650_100000103362 [0,0,0,1,0,0|3,0,0]=4 8174 B12R1.257 CC(=O)NCCSCC1COC1 62a_100000189650_100010264016 [0,0,0,1,0,0|3,0,0]=4 8175 B12R1.257 CC(=O)NCCSCC1COC1 62a_100010264016_100000189650 [0,0,0,1,0,0|3,0,0]=4 8176 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,0,0,1,0,0|1,0,0]=2 8177 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,0,0,1,0,0|1,0,0]=2 8178 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,0,0,1,0,0|1,0,0]=2 8179 B12R1.257 CC(=O)OCCCOC1CSC1 7a_100000072292_100000042594 [0,0,0,1,0,0|2,0,0]=3 8180 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,0,0,1,0,0|1,0,0]=2 8181 B12R1.257 CC(=O)OCCCSC1COC1 62a_100000042594_100009818527 [0,0,0,1,0,0|2,0,0]=3 8182 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,0,0,1,0,0|1,0,0]=2 8183 B12R1.257 CC(=O)OCCNCC1COC1 34a_100015281925_100009814007 [0,0,0,1,0,0|2,0,0]=3 8184 B12R1.257 CC(=O)OCCNC[C@@H]1CCO1 34a_100020831831_100009814007 [0,0,0,1,0,0|2,0,0]=3 8185 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,0,0,1,0,0|1,0,0]=2 8186 B12R1.257 CC(=O)OCCOCC1CCO1 34a_100000039022_100009814007 [0,0,0,1,0,0|2,0,0]=3 8187 B12R1.257 CC(=O)OCCOCC1CNC1 34a_100016987283_100009814007 [0,0,0,1,0,0|2,0,0]=3 8188 B12R1.257 CC(=O)OCCOCC1COC1 34a_100000060846_100009814007 [0,0,0,1,0,0|2,0,0]=3 8189 B12R1.257 CC(=O)OCCOCN1CCC1 269982a_100000754969_100000076355 [0,0,0,1,0,0|2,0,0]=3 8190 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,0,0,1,0,0|1,0,0]=2 8191 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,0,0,1,0,0|1,0,0]=2 8192 B12R1.257 CC(=O)OCCSCC1CCO1 62a_100000103362_100009814007 [0,0,0,1,0,0|2,0,0]=3 8193 B12R1.257 CC(=O)OCCSCC1CCO1 62a_100009814007_100000103362 [0,0,0,1,0,0|2,0,0]=3 8194 B12R1.257 CC(=O)OCCSCC1COC1 62a_100009814007_100010264016 [0,0,0,1,0,0|2,0,0]=3 8195 B12R1.257 CC(=O)OCCSCC1COC1 62a_100010264016_100009814007 [0,0,0,1,0,0|2,0,0]=3 8196 B12R1.257 CC(=O)OCOCCC1COC1 34a_100009855314_100009813279 [0,0,0,1,0,0|2,0,0]=3 8197 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,0,0,1,0,0|1,1,0]=3 8198 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,0,0,1,0,0|1,1,0]=3 8199 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,0,0,1,0,0|1,1,0]=3 8200 B12R1.257 CC(=O)SCCCNC1COC1 2230a_100016991112_100000038929 [0,0,0,1,0,0|2,1,0]=4 8201 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,0,0,1,0,0|1,1,0]=3 8202 B12R1.257 CC(=O)SCCCOC1CSC1 7a_100000072292_100000038929 [0,0,0,1,0,0|2,1,0]=4 8203 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,0,0,1,0,0|1,1,0]=3 8204 B12R1.257 CC(=O)SCCCSC1COC1 62a_100000038929_100009818527 [0,0,0,1,0,0|2,1,0]=4 8205 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,0,0,1,0,0|1,1,0]=3 8206 B12R1.257 CC(=S)OCCCNC1CCC1 2230a_100000749019_200135323944 [0,0,0,1,0,0|1,1,0]=3 8207 B12R1.257 CC(=S)OCCCNC1CCC1 34a_100000749019_200135323944 [0,0,0,1,0,0|1,1,0]=3 8208 B12R1.257 CC(=S)OCCCNC1COC1 2230a_100016991112_200135323944 [0,0,0,1,0,0|2,1,0]=4 8209 B12R1.257 CC(=S)OCCCOC1CCC1 34a_100000748187_200135323944 [0,0,0,1,0,0|1,1,0]=3 8210 B12R1.257 CC(=S)OCCCOC1CSC1 7a_100000072292_200135323944 [0,0,0,1,0,0|2,1,0]=4 8211 B12R1.257 CC(=S)OCCCSC1CCC1 62a_200135323944_100000749161 [0,0,0,1,0,0|1,1,0]=3 8212 B12R1.257 CC(=S)OCCCSC1COC1 62a_200135323944_100009818527 [0,0,0,1,0,0|2,1,0]=4 8213 B12R1.257 CC(C)OCCCNC1CCC1 270004a_100000737246_100000241760 [0,0,0,1,0,0|2,0,1]=4 8214 B12R1.257 CC(C)OCCCNC1CCC1 34a_100000737246_100000749161 [0,0,0,1,0,0|2,0,1]=4 8215 B12R1.257 CC(C)OCCNCC1CCC1 2230a_100000701111_100000763275 [0,0,0,1,0,0|2,0,1]=4 8216 B12R1.257 CC(C)OCCNCC1CCC1 2230a_100000738700_100000211751 [0,0,0,1,0,0|2,0,1]=4 8217 B12R1.257 CC(C)OCCNCC1CCC1 269862a_100000701111_100000753134 [0,0,0,1,0,0|2,0,1]=4 8218 B12R1.257 CC(C)OCCNCC1CCC1 34a_100000701111_100000763275 [0,0,0,1,0,0|2,0,1]=4 8219 B12R1.257 CC(C)OCCNCC1CCC1 34a_100000738700_100000211751 [0,0,0,1,0,0|2,0,1]=4 8220 B12R1.257 CC(C)OCCOCC1CCC1 34a_100000211219_100000763275 [0,0,0,1,0,0|2,0,1]=4 8221 B12R1.257 CC(C)OCCOCC1CCC1 34a_100000760304_100000211751 [0,0,0,1,0,0|2,0,1]=4 8222 B12R1.257 CC(C)OCCOCC1CCC1 7a_100000211219_100000763275 [0,0,0,1,0,0|2,0,1]=4 8223 B12R1.257 CC(C)OCCSCC1CCC1 62a_100000211751_100000763275 [0,0,0,1,0,0|2,0,1]=4 8224 B12R1.257 CC(C)OCCSCC1CCC1 62a_100000763275_100000211751 [0,0,0,1,0,0|2,0,1]=4 8225 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,0,0,1,0,0|3,0,0]=4 8226 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,0,0,1,0,0|3,0,0]=4 8227 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,0,0,1,0,0|3,0,0]=4 8228 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,0,0,1,0,0|3,0,0]=4 8229 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,0,0,1,0,0|3,0,0]=4 8230 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,0,0,1,0,0|3,0,0]=4 8231 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,0,0,1,0,0|3,0,0]=4 8232 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,0,0,1,0,0|3,0,0]=4 8233 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,0,0,1,0,0|3,0,0]=4 8234 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,0,0,1,0,0|3,0,0]=4 8235 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,0,0,1,0,0|3,0,0]=4 8236 B12R1.257 NC(=O)NCCNCC1CCC1 2230a_100000738700_200000034859 [0,0,0,1,0,0|3,0,0]=4 8237 B12R1.257 NC(=O)NCCNCC1CCC1 269862a_100020590234_100000753134 [0,0,0,1,0,0|3,0,0]=4 8238 B12R1.257 NC(=O)NCCNCC1CCC1 34a_100020590234_100000763275 [0,0,0,1,0,0|3,0,0]=4 8239 B12R1.257 NC(=O)NCCOCC1CCC1 34a_100000181757_100000763275 [0,0,0,1,0,0|3,0,0]=4 8240 B12R1.257 NC(=O)NCCSCC1CCC1 62a_100000763275_200000034859 [0,0,0,1,0,0|3,0,0]=4 8241 B12R1.257 NC(=O)NCCSCC1CCC1 62a_200000034859_100000763275 [0,0,0,1,0,0|3,0,0]=4 8242 B12R1.257 NC(=O)OCCNCC1CCC1 34a_100000738700_200011214921 [0,0,0,1,0,0|2,0,0]=3 8243 B12R1.257 NC(=O)OCCNCC1COC1 34a_100015281925_200011214921 [0,0,0,1,0,0|3,0,0]=4 8244 B12R1.257 NC(=O)OCCNC[C@@H]1CCO1 34a_100020831831_200011214921 [0,0,0,1,0,0|3,0,0]=4 8245 B12R1.257 NC(=O)OCCOCC1CCC1 34a_100000760304_200011214921 [0,0,0,1,0,0|2,0,0]=3 8246 B12R1.257 NC(=O)OCCOCC1CCC1 7a_100000766696_100000763275 [0,0,0,1,0,0|2,0,0]=3 8247 B12R1.257 NC(=O)OCCOCC1CCO1 34a_100000039022_200011214921 [0,0,0,1,0,0|3,0,0]=4 8248 B12R1.257 NC(=O)OCCOCC1CCO1 7a_100000766696_100000103362 [0,0,0,1,0,0|3,0,0]=4 8249 B12R1.257 NC(=O)OCCOCC1CNC1 34a_100016987283_200011214921 [0,0,0,1,0,0|3,0,0]=4 8250 B12R1.257 NC(=O)OCCOCC1COC1 34a_100000060846_200011214921 [0,0,0,1,0,0|3,0,0]=4 8251 B12R1.257 NC(=O)OCCOCC1COC1 7a_100000766696_100010264016 [0,0,0,1,0,0|3,0,0]=4 8252 B12R1.257 NC(=O)OCCSCC1CCC1 62a_100000763275_200011214921 [0,0,0,1,0,0|2,0,0]=3 8253 B12R1.257 NC(=O)OCCSCC1CCC1 62a_200011214921_100000763275 [0,0,0,1,0,0|2,0,0]=3 8254 B12R1.257 NC(=O)OCCSCC1CCO1 62a_100000103362_200011214921 [0,0,0,1,0,0|3,0,0]=4 8255 B12R1.257 NC(=O)OCCSCC1CCO1 62a_200011214921_100000103362 [0,0,0,1,0,0|3,0,0]=4 8256 B12R1.257 NC(=O)OCCSCC1COC1 62a_100010264016_200011214921 [0,0,0,1,0,0|3,0,0]=4 8257 B12R1.257 NC(=O)OCCSCC1COC1 62a_200011214921_100010264016 [0,0,0,1,0,0|3,0,0]=4 8258 B12R1.257 O=[N+]([O-])OCCCCN1CCC1 269982a_100000754969_100015694321 [0,0,0,1,0,0|3,0,0]=4 8259 B12R1.283 CC(=O)N1CCCCC1CC#N 11a_100000133382_100015343762 [0,0,0,1,0,0|2,0,1]=4 8260 B12R1.283 CC(=O)N1CCCCC1CC#N 1626a_100000133382_100015343762 [0,0,0,1,0,0|2,0,1]=4 8261 B12R1.283 CC(=O)N1CCCCC1CC#N 240690a_100000133382_100015343762 [0,0,0,1,0,0|2,0,1]=4 8262 B12R1.283 CC(=O)N1CCCCC1CC#N 527a_100000133382_100103153847 [0,0,0,1,0,0|2,0,1]=4 8263 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,0,0,1,0,0|2,0,0]=3 8264 B12R1.283 CCCC1CCCCC1N(C)C 270004a_100102631434_100011218038 [0,0,0,1,0,0|3,0,0]=4 8265 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,0,1,0,0|1,0,0]=2 8266 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,0,1,0,0|1,0,0]=2 8267 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,0,1,0,0|1,0,0]=2 8268 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,0,1,0,0|1,0,0]=2 8269 B12R1.283 CCCC1CCCCN1C(C)C 2230a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 8270 B12R1.283 CCCC1CCCCN1C(C)C 269982a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 8271 B12R1.283 CCCC1CCCCN1C(C)C 34a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 8272 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,0,0,1,0,0|2,0,0]=3 8273 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,0,0,1,0,0|2,0,0]=3 8274 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,0,0,1,0,0|2,0,0]=3 8275 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,0,0,1,0,0|2,0,0]=3 8276 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,0,0,1,0,0|2,0,0]=3 8277 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,0,0,1,0,0|3,0,0]=4 8278 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,0,0,1,0,0|3,0,0]=4 8279 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,0,0,1,0,0|3,0,0]=4 8280 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,0,0,1,0,0|2,0,0]=3 8281 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,0,0,1,0,0|3,0,0]=4 8282 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,0,0,1,0,0|3,0,0]=4 8283 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,0,0,1,0,0|2,0,0]=3 8284 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,0,0,1,0,0|2,0,0]=3 8285 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,0,0,1,0,0|2,0,0]=3 8286 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,0,0,1,0,0|2,0,0]=3 8287 B12R1.283 COC[C@H]1COCCN1C(=O)C 11a_100016989928_100015343762 [0,0,0,1,0,0|3,0,0]=4 8288 B12R1.283 COC[C@H]1COCCN1C(=O)C 1626a_100016989928_100015343762 [0,0,0,1,0,0|3,0,0]=4 8289 B12R1.283 COC[C@H]1COCCN1C(=O)C 240690a_100016989928_100015343762 [0,0,0,1,0,0|3,0,0]=4 8290 B12R1.283 COC[C@H]1COCCN1C(=O)C 527a_100016989928_100103153847 [0,0,0,1,0,0|3,0,0]=4 8291 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,0,0,1,0,0|2,0,0]=3 8292 B12R1.321 COCCN1CCCNC(=O)C1 2230a_100015190381_100011201679 [0,0,0,1,0,0|3,0,0]=4 8293 B12R1.321 CSCCN1CCCNC(=O)C1 2230a_100015190381_100000751147 [0,0,0,1,0,0|3,0,0]=4 8294 B12R1.321 O=C1CN(CCCN1)CCCF 2230a_100015190381_100011934791 [0,0,0,1,0,0|3,0,0]=4 8295 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,0,0,1,0,0|3,0,0]=4 8296 B12R1.324 CCNN=C1CCC1OC(=O)C 4a_100000756455_100010634149 [0,0,0,1,0,0|2,0,1]=4 8297 B12R1.375 BrCCCCCCCOC1CC1 34a_100000760002_100000211595 [0,0,0,1,0,0|2,0,1]=4 8298 B12R1.375 CCCCCCCCNC1CC1 34a_100000212008_100000210759 [0,0,0,1,0,0|2,0,1]=4 8299 B12R1.375 CCCCCCCCNC1CC1 34a_100000229939_100000211595 [0,0,0,1,0,0|2,0,1]=4 8300 B12R1.375 CCCCCCCCOC1CC1 34a_100000210232_100000211595 [0,0,0,1,0,0|1,0,1]=3 8301 B12R1.375 CCCCCCCCSC1CC1 62a_100000210759_100000211595 [0,0,0,1,0,0|1,1,1]=4 8302 B12R1.375 CCCCCNCCOC1CC1 34a_100000224656_100000211595 [0,0,0,1,0,0|2,0,1]=4 8303 B12R1.375 CCCCCOCCOC1CC1 34a_100011215259_100000211595 [0,0,0,1,0,0|2,0,1]=4 8304 B12R1.375 CCCCOCCCOC1CC1 34a_200011215613_100000211595 [0,0,0,1,0,0|2,0,1]=4 8305 B12R1.375 COCCCCCCOC1CC1 34a_200012092642_100000211595 [0,0,0,1,0,0|2,0,1]=4 8306 B12R1.375 NCCCCCCCOC1CC1 34a_100011996573_100000211595 [0,0,0,1,0,0|2,0,1]=4 8307 B12R1.386 CC(=O)N1CCC[C@@H]1COCF 34a_100012242843_100015361967 [0,0,0,1,0,0|3,0,0]=4 8308 B12R1.386 CC(=O)N1CCC[C@@H]1COCF 7a_100012242843_100015361967 [0,0,0,1,0,0|3,0,0]=4 8309 B12R1.386 CCCCC1C=CCN1C(=O)C 11a_100015184376_100015343762 [0,0,0,1,0,0|1,0,2]=4 8310 B12R1.386 CCCCC1C=CCN1C(=O)C 1626a_100015184376_100015343762 [0,0,0,1,0,0|1,0,2]=4 8311 B12R1.386 CCCCC1C=CCN1C(=O)C 240690a_100015184376_100015343762 [0,0,0,1,0,0|1,0,2]=4 8312 B12R1.386 CCCCC1C=CCN1C(=O)C 527a_100015184376_100103153847 [0,0,0,1,0,0|1,0,2]=4 8313 B12R1.386 CCCCC1CCCC1N(C)C 270004a_100102631434_100000750825 [0,0,0,1,0,0|3,0,0]=4 8314 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [0,0,0,1,0,0|3,0,0]=4 8315 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,0,0,1,0,0|3,0,0]=4 8316 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210202 [0,0,0,1,0,0|3,0,0]=4 8317 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210202 [0,0,0,1,0,0|3,0,0]=4 8318 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210202 [0,0,0,1,0,0|2,0,0]=3 8319 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210202 [0,0,0,1,0,0|2,0,0]=3 8320 B12R1.390 CC(=CCCNCCC1CC1)C 34a_100000764129_100011217483 [0,0,0,1,0,0|3,0,0]=4 8321 B12R1.390 CC(=CCCOCCC1CC1)C 34a_100000754188_100011217483 [0,0,0,1,0,0|3,0,0]=4 8322 B12R1.390 CC(=CCCOCCC1CC1)C 7a_100000754188_100011217483 [0,0,0,1,0,0|3,0,0]=4 8323 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100000764125_100011217483 [0,0,0,1,0,0|3,0,0]=4 8324 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100011217483_100000764125 [0,0,0,1,0,0|3,0,0]=4 8325 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,0,0,1,0,0|2,0,0]=3 8326 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,0,0,1,0,0|2,0,0]=3 8327 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,0,0,1,0,0|3,0,0]=4 8328 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,0,0,1,0,0|2,0,0]=3 8329 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,0,0,1,0,0|2,0,0]=3 8330 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,0,0,1,0,0|3,0,0]=4 8331 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,0,0,1,0,0|3,0,0]=4 8332 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000031435_100000735457 [0,0,0,1,0,0|3,0,0]=4 8333 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000735457_100000031435 [0,0,0,1,0,0|3,0,0]=4 8334 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,0,0,1,0,0|3,0,0]=4 8335 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,0,0,1,0,0|3,0,0]=4 8336 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,0,0,1,0,0|2,0,0]=3 8337 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,0,0,1,0,0|2,0,0]=3 8338 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,0,0,1,0,0|2,0,0]=3 8339 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,0,0,1,0,0|2,0,0]=3 8340 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,0,0,1,0,0|2,0,0]=3 8341 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,0,0,1,0,0|3,0,0]=4 8342 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,0,0,1,0,0|3,0,0]=4 8343 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,0,0,1,0,0|3,0,0]=4 8344 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,0,0,1,0,0|2,0,0]=3 8345 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,0,0,1,0,0|2,0,0]=3 8346 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,0,0,1,0,0|3,0,0]=4 8347 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,0,0,1,0,0|3,0,0]=4 8348 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,0,0,1,0,0|3,0,0]=4 8349 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,0,0,1,0,0|3,0,0]=4 8350 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,0,0,1,0,0|3,0,0]=4 8351 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,0,0,1,0,0|3,0,0]=4 8352 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,0,0,1,0,0|2,0,0]=3 8353 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,0,0,1,0,0|2,0,0]=3 8354 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,0,0,1,0,0|2,0,0]=3 8355 B12R1.390 CC(=O)NCCCNCC1CO1 34a_100000736810_102125554688 [0,0,0,1,0,0|3,0,0]=4 8356 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,0,0,1,0,0|2,0,0]=3 8357 B12R1.390 CC(=O)NCCCOCC1CO1 34a_100000752032_102125554688 [0,0,0,1,0,0|3,0,0]=4 8358 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,0,0,1,0,0|2,0,0]=3 8359 B12R1.390 CC(=O)NCCNCCC1CO1 2230a_100000209853_100000732470 [0,0,0,1,0,0|3,0,0]=4 8360 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,0,0,1,0,0|2,0,0]=3 8361 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,0,0,1,0,0|2,0,0]=3 8362 B12R1.390 CC(=O)NCCOCCC1CO1 34a_100000158858_100000732470 [0,0,0,1,0,0|3,0,0]=4 8363 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,0,0,1,0,0|2,0,0]=3 8364 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,0,0,1,0,0|2,0,0]=3 8365 B12R1.390 CC(=O)NCCSCCC1CO1 62a_100000189650_100000732470 [0,0,0,1,0,0|3,0,0]=4 8366 B12R1.390 CC(=O)NCCSCCC1CO1 62a_100000732470_100000189650 [0,0,0,1,0,0|3,0,0]=4 8367 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,0,0,1,0,0|1,0,0]=2 8368 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,0,0,1,0,0|1,0,0]=2 8369 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,0,0,1,0,0|1,0,0]=2 8370 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,0,0,1,0,0|1,0,0]=2 8371 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,0,0,1,0,0|1,0,0]=2 8372 B12R1.390 CC(=O)OCCCOC[C@@H]1CO1 34a_100000757423_100000042594 [0,0,0,1,0,0|2,0,0]=3 8373 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,0,0,1,0,0|1,0,0]=2 8374 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,0,0,1,0,0|1,0,0]=2 8375 B12R1.390 CC(=O)OCCCSCC1CO1 62a_100000042594_102125554688 [0,0,0,1,0,0|2,0,0]=3 8376 B12R1.390 CC(=O)OCCCSCC1CO1 62a_102125554688_100000042594 [0,0,0,1,0,0|2,0,0]=3 8377 B12R1.390 CC(=O)OCCCSCC1CS1 62a_100000031435_100000042594 [0,0,0,1,0,0|2,0,0]=3 8378 B12R1.390 CC(=O)OCCCSCC1CS1 62a_100000042594_100000031435 [0,0,0,1,0,0|2,0,0]=3 8379 B12R1.390 CC(=O)OCCCSC[C@@H]1CO1 62a_100000042594_100000745022 [0,0,0,1,0,0|2,0,0]=3 8380 B12R1.390 CC(=O)OCCCSC[C@@H]1CO1 62a_100000745022_100000042594 [0,0,0,1,0,0|2,0,0]=3 8381 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,0,0,1,0,0|1,0,0]=2 8382 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,0,0,1,0,0|1,0,0]=2 8383 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,0,0,1,0,0|1,0,0]=2 8384 B12R1.390 CC(=O)OCCOCC[C@@H]1CO1 34a_100009820653_100009814007 [0,0,0,1,0,0|2,0,0]=3 8385 B12R1.390 CC(=O)OCCOCNC1CC1 34a_100000212008_100000076355 [0,0,0,1,0,0|2,0,0]=3 8386 B12R1.390 CC(=O)OCCOCSC1CC1 62a_100000076355_100000211595 [0,0,0,1,0,0|2,0,0]=3 8387 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,0,0,1,0,0|1,0,0]=2 8388 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,0,0,1,0,0|1,0,0]=2 8389 B12R1.390 CC(=O)OCCSCCC1CO1 62a_100000732470_100009814007 [0,0,0,1,0,0|2,0,0]=3 8390 B12R1.390 CC(=O)OCCSCCC1CO1 62a_100009814007_100000732470 [0,0,0,1,0,0|2,0,0]=3 8391 B12R1.390 CC(=O)OCOCC#CC1CC1 34a_100000083941_100009813279 [0,0,0,1,0,0|1,0,2]=4 8392 B12R1.390 CC(=O)OCOCCNC1CC1 34a_100000738766_100009813279 [0,0,0,1,0,0|2,0,0]=3 8393 B12R1.390 CC(=O)OCSCC#CC1CC1 62a_100000076356_100009895102 [0,0,0,1,0,0|1,0,2]=4 8394 B12R1.390 CC(=O)OCSCC#CC1CC1 62a_100009895102_100000076356 [0,0,0,1,0,0|1,0,2]=4 8395 B12R1.390 CC(=O)OCSCCCC1CO1 62a_100000076356_100000733510 [0,0,0,1,0,0|2,0,0]=3 8396 B12R1.390 CC(=O)OCSCCCC1CO1 62a_100000733510_100000076356 [0,0,0,1,0,0|2,0,0]=3 8397 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,0,0,1,0,0|1,1,0]=3 8398 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,0,0,1,0,0|1,1,0]=3 8399 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,0,0,1,0,0|1,1,0]=3 8400 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,0,0,1,0,0|1,1,0]=3 8401 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,0,0,1,0,0|1,1,0]=3 8402 B12R1.390 CC(=O)SCCCOC[C@@H]1CO1 34a_100000757423_100000038929 [0,0,0,1,0,0|2,1,0]=4 8403 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,0,0,1,0,0|1,1,0]=3 8404 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,0,0,1,0,0|1,1,0]=3 8405 B12R1.390 CC(=O)SCCCSCC1CO1 62a_100000038929_102125554688 [0,0,0,1,0,0|2,1,0]=4 8406 B12R1.390 CC(=O)SCCCSCC1CO1 62a_102125554688_100000038929 [0,0,0,1,0,0|2,1,0]=4 8407 B12R1.390 CC(=O)SCCCSCC1CS1 62a_100000031435_100000038929 [0,0,0,1,0,0|2,1,0]=4 8408 B12R1.390 CC(=O)SCCCSCC1CS1 62a_100000038929_100000031435 [0,0,0,1,0,0|2,1,0]=4 8409 B12R1.390 CC(=O)SCCCSC[C@@H]1CO1 62a_100000038929_100000745022 [0,0,0,1,0,0|2,1,0]=4 8410 B12R1.390 CC(=O)SCCCSC[C@@H]1CO1 62a_100000745022_100000038929 [0,0,0,1,0,0|2,1,0]=4 8411 B12R1.390 CC(=S)OCCCNCC1CC1 2230a_100000735609_200135323944 [0,0,0,1,0,0|1,1,0]=3 8412 B12R1.390 CC(=S)OCCCNCC1CC1 34a_100000735609_200135323944 [0,0,0,1,0,0|1,1,0]=3 8413 B12R1.390 CC(=S)OCCCOCC1CC1 34a_100000211283_200135323944 [0,0,0,1,0,0|1,1,0]=3 8414 B12R1.390 CC(=S)OCCCOC[C@@H]1CO1 34a_100000757423_200135323944 [0,0,0,1,0,0|2,1,0]=4 8415 B12R1.390 CC(=S)OCCCSCC1CC1 62a_100000756562_200135323944 [0,0,0,1,0,0|1,1,0]=3 8416 B12R1.390 CC(=S)OCCCSCC1CC1 62a_200135323944_100000742324 [0,0,0,1,0,0|1,1,0]=3 8417 B12R1.390 CC(=S)OCCCSCC1CO1 62a_102125554688_200135323944 [0,0,0,1,0,0|2,1,0]=4 8418 B12R1.390 CC(=S)OCCCSCC1CO1 62a_200135323944_102125554688 [0,0,0,1,0,0|2,1,0]=4 8419 B12R1.390 CC(=S)OCCCSCC1CS1 62a_100000031435_200135323944 [0,0,0,1,0,0|2,1,0]=4 8420 B12R1.390 CC(=S)OCCCSCC1CS1 62a_200135323944_100000031435 [0,0,0,1,0,0|2,1,0]=4 8421 B12R1.390 CC(=S)OCCCSC[C@@H]1CO1 62a_100000745022_200135323944 [0,0,0,1,0,0|2,1,0]=4 8422 B12R1.390 CC(=S)OCCCSC[C@@H]1CO1 62a_200135323944_100000745022 [0,0,0,1,0,0|2,1,0]=4 8423 B12R1.390 CC(C)OCCCNCC1CC1 2230a_100000737246_100000742324 [0,0,0,1,0,0|2,0,1]=4 8424 B12R1.390 CC(C)OCCCNCC1CC1 269862a_100000737246_100000741477 [0,0,0,1,0,0|2,0,1]=4 8425 B12R1.390 CC(C)OCCCNCC1CC1 34a_100000737246_100000742324 [0,0,0,1,0,0|2,0,1]=4 8426 B12R1.390 CC(C)OCCNCCC1CC1 2230a_100000701111_100000694398 [0,0,0,1,0,0|2,0,1]=4 8427 B12R1.390 CC(C)OCCNCCC1CC1 34a_100000701111_100000694398 [0,0,0,1,0,0|2,0,1]=4 8428 B12R1.390 CC(C)OCCNCCC1CC1 34a_100000764129_100000211751 [0,0,0,1,0,0|2,0,1]=4 8429 B12R1.390 CC(C)OCCOCCC1CC1 34a_100000211219_100000694398 [0,0,0,1,0,0|2,0,1]=4 8430 B12R1.390 CC(C)OCCOCCC1CC1 34a_100000754188_100000211751 [0,0,0,1,0,0|2,0,1]=4 8431 B12R1.390 CC(C)OCCOCCC1CC1 7a_100000211219_100000764125 [0,0,0,1,0,0|2,0,1]=4 8432 B12R1.390 CC(C)OCCOCCC1CC1 7a_100000754188_100000211751 [0,0,0,1,0,0|2,0,1]=4 8433 B12R1.390 CC(C)OCCSCCC1CC1 62a_100000211751_100000764125 [0,0,0,1,0,0|2,0,1]=4 8434 B12R1.390 CC(C)OCCSCCC1CC1 62a_100000764125_100000211751 [0,0,0,1,0,0|2,0,1]=4 8435 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,0,0,1,0,0|3,0,0]=4 8436 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,0,0,1,0,0|3,0,0]=4 8437 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,0,0,1,0,0|3,0,0]=4 8438 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,0,0,1,0,0|3,0,0]=4 8439 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,0,0,1,0,0|3,0,0]=4 8440 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,0,0,1,0,0|3,0,0]=4 8441 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,0,0,1,0,0|3,0,0]=4 8442 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,0,0,1,0,0|3,0,0]=4 8443 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,0,0,1,0,0|3,0,0]=4 8444 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,0,0,1,0,0|3,0,0]=4 8445 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,0,0,1,0,0|3,0,0]=4 8446 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,0,0,1,0,0|3,0,0]=4 8447 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,0,0,1,0,0|3,0,0]=4 8448 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,0,0,1,0,0|3,0,0]=4 8449 B12R1.390 NC(=O)NCCNCCC1CC1 34a_100020590234_100000694398 [0,0,0,1,0,0|3,0,0]=4 8450 B12R1.390 NC(=O)NCCOCCC1CC1 34a_100000181757_100000694398 [0,0,0,1,0,0|3,0,0]=4 8451 B12R1.390 NC(=O)NCCOCCC1CC1 7a_100000754188_200000034859 [0,0,0,1,0,0|3,0,0]=4 8452 B12R1.390 NC(=O)NCCSCCC1CC1 62a_100000764125_200000034859 [0,0,0,1,0,0|3,0,0]=4 8453 B12R1.390 NC(=O)NCCSCCC1CC1 62a_200000034859_100000764125 [0,0,0,1,0,0|3,0,0]=4 8454 B12R1.390 NC(=O)OCCNCCC1CC1 34a_100000764129_200011214921 [0,0,0,1,0,0|2,0,0]=3 8455 B12R1.390 NC(=O)OCCOCCC1CC1 34a_100000754188_200011214921 [0,0,0,1,0,0|2,0,0]=3 8456 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000754188_200011214921 [0,0,0,1,0,0|2,0,0]=3 8457 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000766696_100000764125 [0,0,0,1,0,0|2,0,0]=3 8458 B12R1.390 NC(=O)OCCOCCC1CO1 7a_100000766696_100000732470 [0,0,0,1,0,0|3,0,0]=4 8459 B12R1.390 NC(=O)OCCOCC[C@@H]1CO1 34a_100009820653_200011214921 [0,0,0,1,0,0|3,0,0]=4 8460 B12R1.390 NC(=O)OCCSCCC1CC1 62a_100000764125_200011214921 [0,0,0,1,0,0|2,0,0]=3 8461 B12R1.390 NC(=O)OCCSCCC1CC1 62a_200011214921_100000764125 [0,0,0,1,0,0|2,0,0]=3 8462 B12R1.390 NC(=O)OCCSCCC1CO1 62a_100000732470_200011214921 [0,0,0,1,0,0|3,0,0]=4 8463 B12R1.390 NC(=O)OCCSCCC1CO1 62a_200011214921_100000732470 [0,0,0,1,0,0|3,0,0]=4 8464 B12R1.390 O=[N+]([O-])OCCCCNC1CC1 34a_100000212008_100015694321 [0,0,0,1,0,0|3,0,0]=4 8465 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,0,1,0,0|3,0,0]=4 8466 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,0,1,0,0|3,0,0]=4 8467 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,0,1,0,0|1,0,0]=2 8468 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,0,1,0,0|1,0,0]=2 8469 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,0,1,0,0|1,0,0]=2 8470 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,0,1,0,0|1,0,0]=2 8471 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 8472 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 8473 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 8474 B12R1.1335 CN(C)C1CCCCCCCC1 270004a_100102631434_100000038600 [0,0,0,1,0,0|3,0,0]=4 8475 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 8476 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 8477 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 8478 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,0,0,1,0,0|3,0,0]=4 8479 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,0,0,1,0,0|3,0,0]=4 8480 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,0,0,1,0,0|3,0,0]=4 8481 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,0,0,1,0,0|3,0,0]=4 8482 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,0,0,1,0,0|3,0,0]=4 8483 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,0,0,1,0,0|3,0,0]=4 8484 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,0,0,1,0,0|3,0,0]=4 8485 B12R1.1343 CC(=CCN1CCCCCC1)C 2230a_100000185865_100000761012 [0,0,0,1,0,0|3,0,0]=4 8486 B12R1.1343 CC(=CCN1CCCCCC1)C 269982a_100000185865_100000761012 [0,0,0,1,0,0|3,0,0]=4 8487 B12R1.1343 CC(=CCN1CCCCCC1)C 34a_100000185865_100000761012 [0,0,0,1,0,0|3,0,0]=4 8488 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,1,0,0|2,0,0]=3 8489 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,1,0,0|2,0,0]=3 8490 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,1,0,0|2,0,0]=3 8491 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,1,0,0|3,0,0]=4 8492 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,0,1,0,0|2,0,0]=3 8493 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,1,0,0|1,0,0]=2 8494 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,1,0,0|1,0,0]=2 8495 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,1,0,0|1,0,0]=2 8496 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,1,0,0|1,0,0]=2 8497 B12R1.1343 CC(=O)NN=C1CCCCCC1 4a_100000189765_100000210131 [0,0,0,1,0,0|2,0,1]=4 8498 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,0,0,1,0,0|1,0,0]=2 8499 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,0,0,1,0,0|1,0,0]=2 8500 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,0,0,1,0,0|2,0,0]=3 8501 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,0,0,1,0,0|2,0,0]=3 8502 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100015204231_100000210206 [0,0,0,1,0,0|2,0,1]=4 8503 B12R1.1343 CC(C)NCC1CCCCCC1 2230a_100138425928_200000696569 [0,0,0,1,0,0|2,0,1]=4 8504 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100015204231_100000210206 [0,0,0,1,0,0|2,0,1]=4 8505 B12R1.1343 CC(C)NCC1CCCCCC1 34a_100138425928_200000696569 [0,0,0,1,0,0|2,0,1]=4 8506 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000212225_200000696569 [0,0,0,1,0,0|1,0,1]=3 8507 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000699130_100000210206 [0,0,0,1,0,0|1,0,1]=3 8508 B12R1.1343 CC(C)OCC1CCCCCC1 7a_100000699130_100000210206 [0,0,0,1,0,0|1,0,1]=3 8509 B12R1.1343 CC(C)OCN1CCCCCC1 2230a_100000185865_100000709892 [0,0,0,1,0,0|2,0,1]=4 8510 B12R1.1343 CC(C)OCN1CCCCCC1 269982a_100000185865_100000709892 [0,0,0,1,0,0|2,0,1]=4 8511 B12R1.1343 CC(C)OCN1CCCCCC1 34a_100000185865_100000709892 [0,0,0,1,0,0|2,0,1]=4 8512 B12R1.1343 CC(C)SCC1CCCCCC1 62a_100000210206_200000696569 [0,0,0,1,0,0|1,1,1]=4 8513 B12R1.1343 CC(C)SCC1CCCCCC1 62a_200000696569_100000210206 [0,0,0,1,0,0|1,1,1]=4 8514 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,0,1,0,0|3,0,0]=4 8515 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,0,1,0,0|3,0,0]=4 8516 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,0,1,0,0|3,0,0]=4 8517 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,0,1,0,0|3,0,0]=4 8518 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,0,1,0,0|3,0,0]=4 8519 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,0,1,0,0|3,0,0]=4 8520 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,0,1,0,0|3,0,0]=4 8521 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,0,1,0,0|3,0,0]=4 8522 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,0,1,0,0|3,0,0]=4 8523 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|3,0,0]=4 8524 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,0,1,0,0|3,0,0]=4 8525 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,0,1,0,0|3,0,0]=4 8526 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,0,1,0,0|3,0,0]=4 8527 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,0,1,0,0|3,0,0]=4 8528 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,1,0,0|2,0,0]=3 8529 B12R1.1392 C=C(C)CN1CCCCCCC1 2230a_100000211400_100000748629 [0,0,0,1,0,0|3,0,0]=4 8530 B12R1.1392 C=C(C)CN1CCCCCCC1 269982a_100000211400_100000748629 [0,0,0,1,0,0|3,0,0]=4 8531 B12R1.1392 C=C(C)CN1CCCCCCC1 34a_100000211400_100000748629 [0,0,0,1,0,0|3,0,0]=4 8532 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,0,0,1,0,0|1,0,0]=2 8533 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,0,0,1,0,0|1,0,0]=2 8534 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,0,0,1,0,0|1,0,0]=2 8535 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,0,0,1,0,0|1,0,0]=2 8536 B12R1.1392 CC(C)NC1CCCCCCC1 2230a_100000211152_100000210206 [0,0,0,1,0,0|2,0,1]=4 8537 B12R1.1392 CC(C)NC1CCCCCCC1 34a_100000211152_100000210206 [0,0,0,1,0,0|2,0,1]=4 8538 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,0,0,1,0,0|1,0,1]=3 8539 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,0,0,1,0,0|1,0,1]=3 8540 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,0,0,1,0,0|3,0,0]=4 8541 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,0,0,1,0,0|3,0,0]=4 8542 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,0,0,1,0,0|3,0,0]=4 8543 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,0,0,1,0,0|3,0,0]=4 8544 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,0,0,1,0,0|3,0,0]=4 8545 B12R1.1995 CCCCCOCC1OC1(C)C 34a_200010283642_100000718602 [0,0,0,1,0,0|2,0,1]=4 8546 B12R1.1995 CCCCCOCC1OC1(C)C 7a_200010283642_100000210326 [0,0,0,1,0,0|2,0,1]=4 8547 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [2,0,0,0,0,0|0,0,2]=4 8548 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [2,0,0,0,0,0|0,0,2]=4 8549 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [2,0,0,0,0,0|0,0,2]=4 8550 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [2,0,0,0,0,0|2,0,0]=4 8551 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [2,0,0,0,0,0|2,0,0]=4 8552 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 8553 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [2,0,0,0,0,0|2,0,0]=4 8554 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 8555 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [2,0,0,0,0,0|2,0,0]=4 8556 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [2,0,0,0,0,0|2,0,0]=4 8557 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [2,0,0,0,0,0|2,0,0]=4 8558 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [2,0,0,0,0,0|2,0,0]=4 8559 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 8560 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 8561 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [2,0,0,0,0,0|2,0,0]=4 8562 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [2,0,0,0,0,0|2,0,0]=4 8563 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|0,0,2]=4 8564 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|0,0,2]=4 8565 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|0,0,2]=4 8566 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [2,0,0,0,0,0|1,0,1]=4 8567 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|1,0,0]=3 8568 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,0]=3 8569 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,0]=3 8570 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [2,0,0,0,0,0|2,0,0]=4 8571 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [2,0,0,0,0,0|2,0,0]=4 8572 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [2,0,0,0,0,0|2,0,0]=4 8573 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [2,0,0,0,0,0|2,0,0]=4 8574 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [2,0,0,0,0,0|2,0,0]=4 8575 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 8576 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 8577 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [2,0,0,0,0,0|2,0,0]=4 8578 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 8579 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 8580 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [2,0,0,0,0,0|2,0,0]=4 8581 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [2,0,0,0,0,0|2,0,0]=4 8582 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [2,0,0,0,0,0|2,0,0]=4 8583 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [2,0,0,0,0,0|2,0,0]=4 8584 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 8585 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 8586 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [2,0,0,0,0,0|2,0,0]=4 8587 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [2,0,0,0,0,0|2,0,0]=4 8588 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [2,0,0,0,0,0|2,0,0]=4 8589 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [2,0,0,0,0,0|2,0,0]=4 8590 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [2,0,0,0,0,0|2,0,0]=4 8591 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [2,0,0,0,0,0|2,0,0]=4 8592 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [2,0,0,0,0,0|2,0,0]=4 8593 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [2,0,0,0,0,0|2,0,0]=4 8594 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|2,0,0]=4 8595 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8596 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8597 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|1,0,0]=3 8598 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|1,0,0]=3 8599 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [2,0,0,0,0,0|1,0,0]=3 8600 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [2,0,0,0,0,0|1,0,0]=3 8601 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [2,0,0,0,0,0|2,0,0]=4 8602 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [2,0,0,0,0,0|2,0,0]=4 8603 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [2,0,0,0,0,0|2,0,0]=4 8604 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [2,0,0,0,0,0|2,0,0]=4 8605 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [2,0,0,0,0,0|2,0,0]=4 8606 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [2,0,0,0,0,0|2,0,0]=4 8607 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [2,0,0,0,0,0|2,0,0]=4 8608 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [2,0,0,0,0,0|2,0,0]=4 8609 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [2,0,0,0,0,0|2,0,0]=4 8610 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [2,0,0,0,0,0|2,0,0]=4 8611 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [2,0,0,0,0,0|2,0,0]=4 8612 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [2,0,0,0,0,0|2,0,0]=4 8613 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [2,0,0,0,0,0|2,0,0]=4 8614 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [2,0,0,0,0,0|2,0,0]=4 8615 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [2,0,0,0,0,0|2,0,0]=4 8616 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [2,0,0,0,0,0|2,0,0]=4 8617 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [2,0,0,0,0,0|2,0,0]=4 8618 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [2,0,0,0,0,0|2,0,0]=4 8619 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [2,0,0,0,0,0|2,0,0]=4 8620 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [2,0,0,0,0,0|2,0,0]=4 8621 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [2,0,0,0,0,0|2,0,0]=4 8622 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [2,0,0,0,0,0|1,1,0]=4 8623 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [2,0,0,0,0,0|1,1,0]=4 8624 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,2]=4 8625 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,2]=4 8626 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|0,0,2]=4 8627 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|0,0,2]=4 8628 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|0,0,2]=4 8629 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|0,0,2]=4 8630 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,0]=2 8631 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,0]=2 8632 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,0]=2 8633 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 8634 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 8635 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 8636 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 8637 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 8638 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 8639 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 8640 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 8641 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 8642 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,0]=3 8643 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [2,0,0,0,0,0|1,0,1]=4 8644 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [2,0,0,0,0,0|1,0,1]=4 8645 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [2,0,0,0,0,0|1,0,1]=4 8646 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 8647 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 8648 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|2,0,0]=4 8649 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 8650 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,0]=3 8651 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 8652 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 8653 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|2,0,0]=4 8654 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 8655 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 8656 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|2,0,0]=4 8657 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|2,0,0]=4 8658 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,0]=3 8659 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 8660 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 8661 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|1,0,0]=3 8662 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|1,0,0]=3 8663 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|1,0,0]=3 8664 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|1,0,0]=3 8665 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 8666 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 8667 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 8668 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 8669 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|1,0,0]=3 8670 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|1,0,0]=3 8671 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|1,0,0]=3 8672 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 8673 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 8674 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|1,0,0]=3 8675 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|1,0,0]=3 8676 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 8677 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [2,0,0,0,0,0|2,0,0]=4 8678 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [2,0,0,0,0,0|2,0,0]=4 8679 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|1,0,0]=3 8680 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 8681 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 8682 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 8683 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 8684 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 8685 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|2,0,0]=4 8686 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|2,0,0]=4 8687 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|1,0,0]=3 8688 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [2,0,0,0,0,0|2,0,0]=4 8689 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [2,0,0,0,0,0|2,0,0]=4 8690 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|1,0,0]=3 8691 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|1,0,0]=3 8692 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 8693 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 8694 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 8695 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 8696 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [2,0,0,0,0,0|2,0,0]=4 8697 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [2,0,0,0,0,0|2,0,0]=4 8698 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [2,0,0,0,0,0|2,0,0]=4 8699 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|1,0,0]=3 8700 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|1,0,0]=3 8701 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [2,0,0,0,0,0|2,0,0]=4 8702 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [2,0,0,0,0,0|2,0,0]=4 8703 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 8704 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [2,0,0,0,0,0|2,0,0]=4 8705 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [2,0,0,0,0,0|1,1,0]=4 8706 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [2,0,0,0,0,0|1,1,0]=4 8707 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|1,0,0]=3 8708 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 8709 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 8710 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 8711 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 8712 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 8713 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [2,0,0,0,0,0|2,0,0]=4 8714 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [2,0,0,0,0,0|2,0,0]=4 8715 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|1,0,0]=3 8716 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [2,0,0,0,0,0|1,1,0]=4 8717 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [2,0,0,0,0,0|1,1,0]=4 8718 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [2,0,0,0,0,0|2,0,0]=4 8719 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [2,0,0,0,0,0|2,0,0]=4 8720 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [2,0,0,0,0,0|2,0,0]=4 8721 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [2,0,0,0,0,0|2,0,0]=4 8722 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [2,0,0,0,0,0|2,0,0]=4 8723 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|1,0,0]=3 8724 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|1,0,0]=3 8725 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|1,0,0]=3 8726 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|1,0,0]=3 8727 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [2,0,0,0,0,0|1,1,0]=4 8728 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [2,0,0,0,0,0|1,1,0]=4 8729 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [2,0,0,0,0,0|1,1,0]=4 8730 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [2,0,0,0,0,0|1,1,0]=4 8731 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [2,0,0,0,0,0|2,0,0]=4 8732 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 8733 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 8734 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 8735 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8736 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8737 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [2,0,0,0,0,0|1,0,0]=3 8738 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [2,0,0,0,0,0|1,0,0]=3 8739 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [2,0,0,0,0,0|1,1,0]=4 8740 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [2,0,0,0,0,0|1,1,0]=4 8741 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [2,0,0,0,0,0|1,1,0]=4 8742 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [2,0,0,0,0,0|2,0,0]=4 8743 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|1,0,0]=3 8744 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 8745 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 8746 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 8747 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|1,0,0]=3 8748 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 8749 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|1,0,0]=3 8750 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|1,0,0]=3 8751 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|1,0,0]=3 8752 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|1,1,0]=4 8753 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [2,0,0,0,0,0|2,0,0]=4 8754 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|2,0,0]=4 8755 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|2,0,0]=4 8756 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|2,0,0]=4 8757 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|2,0,0]=4 8758 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|2,0,0]=4 8759 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [2,0,0,0,0,0|2,0,0]=4 8760 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [2,0,0,0,0,0|2,0,0]=4 8761 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [2,0,0,0,0,0|2,0,0]=4 8762 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [2,0,0,0,0,0|2,0,0]=4 8763 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [2,0,0,0,0,0|2,0,0]=4 8764 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [2,0,0,0,0,0|2,0,0]=4 8765 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [2,0,0,0,0,0|2,0,0]=4 8766 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [2,0,0,0,0,0|2,0,0]=4 8767 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [2,0,0,0,0,0|2,0,0]=4 8768 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [2,0,0,0,0,0|2,0,0]=4 8769 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 8770 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 8771 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [2,0,0,0,0,0|1,0,0]=3 8772 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [2,0,0,0,0,0|1,0,0]=3 8773 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [2,0,0,0,0,0|1,1,0]=4 8774 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [2,0,0,0,0,0|1,1,0]=4 8775 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 8776 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [2,0,0,0,0,0|2,0,0]=4 8777 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 8778 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [2,0,0,0,0,0|2,0,0]=4 8779 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [2,0,0,0,0,0|2,0,0]=4 8780 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [2,0,0,0,0,0|2,0,0]=4 8781 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [2,0,0,0,0,0|2,0,0]=4 8782 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [2,0,0,0,0,0|2,0,0]=4 8783 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [2,0,0,0,0,0|2,0,0]=4 8784 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [2,0,0,0,0,0|2,0,0]=4 8785 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [2,0,0,0,0,0|2,0,0]=4 8786 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [2,0,0,0,0,0|2,0,0]=4 8787 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [2,0,0,0,0,0|2,0,0]=4 8788 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [2,0,0,0,0,0|2,0,0]=4 8789 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [2,0,0,0,0,0|2,0,0]=4 8790 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,0]=3 8791 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 8792 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 8793 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 8794 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 8795 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 8796 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [2,0,0,0,0,0|0,0,2]=4 8797 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [2,0,0,0,0,0|0,0,2]=4 8798 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [2,0,0,0,0,0|0,0,2]=4 8799 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [2,0,0,0,0,0|0,0,2]=4 8800 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [2,0,0,0,0,0|0,0,2]=4 8801 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,1]=4 8802 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 8803 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 8804 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 8805 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,1]=4 8806 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,1]=4 8807 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 8808 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 8809 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 8810 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|0,0,2]=4 8811 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|0,0,2]=4 8812 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|0,0,2]=4 8813 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|0,0,2]=4 8814 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|0,0,2]=4 8815 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 8816 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 8817 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 8818 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 8819 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 8820 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 8821 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 8822 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 8823 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 8824 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 8825 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 8826 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 8827 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 8828 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 8829 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 8830 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 8831 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 8832 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 8833 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 8834 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 8835 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 8836 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 8837 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 8838 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 8839 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 8840 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 8841 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 8842 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 8843 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 8844 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 8845 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 8846 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 8847 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 8848 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 8849 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 8850 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 8851 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 8852 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 8853 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 8854 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 8855 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 8856 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [2,0,0,0,0,0|1,0,1]=4 8857 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [2,0,0,0,0,0|1,0,1]=4 8858 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [2,0,0,0,0,0|1,0,1]=4 8859 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [2,0,0,0,0,0|1,0,1]=4 8860 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [2,0,0,0,0,0|1,0,1]=4 8861 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [2,0,0,0,0,0|1,0,1]=4 8862 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [2,0,0,0,0,0|1,0,1]=4 8863 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [2,0,0,0,0,0|1,0,1]=4 8864 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [2,0,0,0,0,0|1,0,1]=4 8865 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [2,0,0,0,0,0|1,0,1]=4 8866 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [2,0,0,0,0,0|1,0,1]=4 8867 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|0,0,2]=4 8868 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|0,0,2]=4 8869 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|0,0,2]=4 8870 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|0,0,2]=4 8871 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 8872 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,1]=4 8873 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 8874 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 8875 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,1]=4 8876 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,1]=4 8877 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [2,0,0,0,0,0|0,0,2]=4 8878 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [2,0,0,0,0,0|0,0,2]=4 8879 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [2,0,0,0,0,0|0,0,2]=4 8880 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [2,0,0,0,0,0|0,0,2]=4 8881 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [2,0,0,0,0,0|0,0,2]=4 8882 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [2,0,0,0,0,0|0,0,2]=4 8883 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [2,0,0,0,0,0|0,0,2]=4 8884 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [2,0,0,0,0,0|0,0,2]=4 8885 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|0,0,2]=4 8886 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|0,0,2]=4 8887 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|0,0,2]=4 8888 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|0,0,2]=4 8889 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [2,0,0,0,0,0|0,0,2]=4 8890 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [2,0,0,0,0,0|0,0,2]=4 8891 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [2,0,0,0,0,0|0,0,2]=4 8892 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [2,0,0,0,0,0|0,0,2]=4 8893 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [2,0,0,0,0,0|0,0,2]=4 8894 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 8895 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 8896 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 8897 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,0]=3 8898 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 8899 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 8900 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 8901 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|0,0,0]=2 8902 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|0,0,0]=2 8903 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|0,0,0]=2 8904 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|0,0,0]=2 8905 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|0,0,0]=2 8906 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|0,1,0]=3 8907 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|0,1,0]=3 8908 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|0,1,0]=3 8909 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|0,1,0]=3 8910 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,1]=4 8911 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,1]=4 8912 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|0,0,1]=3 8913 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|0,0,1]=3 8914 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|0,0,1]=3 8915 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|1,0,1]=4 8916 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|1,0,1]=4 8917 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|0,1,1]=4 8918 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|0,1,1]=4 8919 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,0]=3 8920 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 8921 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|1,0,0]=3 8922 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [2,0,0,0,0,0|1,1,0]=4 8923 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 8924 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 8925 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,1]=4 8926 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 8927 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 8928 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|1,1,0]=4 8929 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,0]=3 8930 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,0]=3 8931 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,1]=4 8932 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,1]=4 8933 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|1,0,0]=3 8934 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|1,0,0]=3 8935 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [2,0,0,0,0,0|1,1,0]=4 8936 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [2,0,0,0,0,0|1,1,0]=4 8937 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,1]=4 8938 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,1]=4 8939 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,1]=4 8940 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|1,0,0]=3 8941 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|1,0,0]=3 8942 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|1,0,0]=3 8943 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|1,0,0]=3 8944 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|1,1,0]=4 8945 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|1,1,0]=4 8946 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,1]=4 8947 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,1]=4 8948 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,1]=4 8949 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,1]=4 8950 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|1,0,0]=3 8951 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|1,0,0]=3 8952 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|1,0,0]=3 8953 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|1,0,0]=3 8954 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|1,0,0]=3 8955 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [2,0,0,0,0,0|2,0,0]=4 8956 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|1,0,0]=3 8957 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|1,0,0]=3 8958 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|1,1,0]=4 8959 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|1,1,0]=4 8960 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|1,1,0]=4 8961 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|1,1,0]=4 8962 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,1]=4 8963 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,1]=4 8964 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|1,0,0]=3 8965 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|1,0,0]=3 8966 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|1,1,0]=4 8967 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|1,1,0]=4 8968 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|1,0,1]=4 8969 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|1,0,1]=4 8970 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,0]=3 8971 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,0]=3 8972 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|1,0,0]=3 8973 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|1,0,0]=3 8974 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|1,0,0]=3 8975 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|1,1,0]=4 8976 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|1,0,1]=4 8977 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|1,0,1]=4 8978 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|1,0,1]=4 8979 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|1,0,1]=4 8980 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,0]=3 8981 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8982 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 8983 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8984 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8985 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8986 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 8987 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|1,0,0]=3 8988 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 8989 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 8990 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 8991 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 8992 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 8993 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|1,1,0]=4 8994 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|1,1,0]=4 8995 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|1,0,1]=4 8996 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|1,0,1]=4 8997 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|1,0,1]=4 8998 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|1,0,1]=4 8999 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|1,0,1]=4 9000 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|1,0,1]=4 9001 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|1,0,1]=4 9002 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|2,0,0]=4 9003 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|2,0,0]=4 9004 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [2,0,0,0,0,0|2,0,0]=4 9005 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [2,0,0,0,0,0|2,0,0]=4 9006 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,0]=3 9007 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,0]=3 9008 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|1,0,0]=3 9009 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|1,0,0]=3 9010 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|1,0,1]=4 9011 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|1,0,1]=4 9012 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|1,0,1]=4 9013 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|1,0,1]=4 9014 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [2,0,0,0,0,0|1,0,1]=4 9015 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [2,0,0,0,0,0|1,0,1]=4 9016 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|1,0,0]=3 9017 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|1,0,0]=3 9018 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|1,1,0]=4 9019 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|1,1,0]=4 9020 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|1,0,1]=4 9021 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|1,0,1]=4 9022 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|1,0,1]=4 9023 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [2,0,0,0,0,0|2,0,0]=4 9024 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [2,0,0,0,0,0|2,0,0]=4 9025 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [2,0,0,0,0,0|2,0,0]=4 9026 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 9027 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 9028 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [2,0,0,0,0,0|2,0,0]=4 9029 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [2,0,0,0,0,0|2,0,0]=4 9030 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [2,0,0,0,0,0|2,0,0]=4 9031 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [2,0,0,0,0,0|2,0,0]=4 9032 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,0]=3 9033 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,0]=3 9034 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|1,0,0]=3 9035 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|1,0,0]=3 9036 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [2,0,0,0,0,0|1,0,1]=4 9037 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [2,0,0,0,0,0|1,0,1]=4 9038 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [2,0,0,0,0,0|2,0,0]=4 9039 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [2,0,0,0,0,0|2,0,0]=4 9040 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 9041 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 9042 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [2,0,0,0,0,0|2,0,0]=4 9043 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [2,0,0,0,0,0|2,0,0]=4 9044 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,0]=3 9045 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|1,0,0]=3 9046 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|1,0,0]=3 9047 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [2,0,0,0,0,0|2,0,0]=4 9048 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [2,0,0,0,0,0|2,0,0]=4 9049 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [2,0,0,0,0,0|2,0,0]=4 9050 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|1,0,1]=4 9051 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|1,0,1]=4 9052 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|1,0,1]=4 9053 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|1,0,1]=4 9054 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|1,0,1]=4 9055 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|1,0,1]=4 9056 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|1,0,1]=4 9057 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 9058 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,1]=4 9059 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|1,0,1]=4 9060 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [2,0,0,0,0,0|2,0,0]=4 9061 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [2,0,0,0,0,0|2,0,0]=4 9062 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [2,0,0,0,0,0|2,0,0]=4 9063 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 9064 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 9065 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [2,0,0,0,0,0|2,0,0]=4 9066 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [2,0,0,0,0,0|2,0,0]=4 9067 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [2,0,0,0,0,0|2,0,0]=4 9068 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [2,0,0,0,0,0|2,0,0]=4 9069 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [2,0,0,0,0,0|2,0,0]=4 9070 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [2,0,0,0,0,0|2,0,0]=4 9071 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [2,0,0,0,0,0|2,0,0]=4 9072 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [2,0,0,0,0,0|2,0,0]=4 9073 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [2,0,0,0,0,0|2,0,0]=4 9074 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 9075 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 9076 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [2,0,0,0,0,0|2,0,0]=4 9077 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [2,0,0,0,0,0|2,0,0]=4 9078 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [2,0,0,0,0,0|2,0,0]=4 9079 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 9080 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 9081 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 9082 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 9083 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [2,0,0,0,0,0|2,0,0]=4 9084 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [2,0,0,0,0,0|2,0,0]=4 9085 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [2,0,0,0,0,0|2,0,0]=4 9086 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [2,0,0,0,0,0|2,0,0]=4 9087 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [2,0,0,0,0,0|2,0,0]=4 9088 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [2,0,0,0,0,0|2,0,0]=4 9089 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,0]=3 9090 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,0]=3 9091 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 9092 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 9093 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [2,0,0,0,0,0|2,0,0]=4 9094 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [2,0,0,0,0,0|2,0,0]=4 9095 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [2,0,0,0,0,0|2,0,0]=4 9096 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [2,0,0,0,0,0|2,0,0]=4 9097 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [2,0,0,0,0,0|2,0,0]=4 9098 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [2,0,0,0,0,0|2,0,0]=4 9099 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [2,0,0,0,0,0|2,0,0]=4 9100 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [2,0,0,0,0,0|2,0,0]=4 9101 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [2,0,0,0,0,0|2,0,0]=4 9102 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 9103 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|2,0,0]=4 9104 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 9105 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|2,0,0]=4 9106 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|2,0,0]=4 9107 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|1,0,0]=3 9108 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|1,0,0]=3 9109 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|1,0,0]=3 9110 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [2,0,0,0,0,0|2,0,0]=4 9111 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [2,0,0,0,0,0|2,0,0]=4 9112 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [2,0,0,0,0,0|2,0,0]=4 9113 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [2,0,0,0,0,0|2,0,0]=4 9114 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [2,0,0,0,0,0|2,0,0]=4 9115 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [2,0,0,0,0,0|2,0,0]=4 9116 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 9117 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 9118 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 9119 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 9120 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|1,0,0]=3 9121 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|1,0,0]=3 9122 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|1,0,0]=3 9123 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|1,0,0]=3 9124 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|1,0,0]=3 9125 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|1,0,0]=3 9126 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|1,0,0]=3 9127 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|1,0,0]=3 9128 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|1,0,0]=3 9129 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [2,0,0,0,0,0|2,0,0]=4 9130 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [2,0,0,0,0,0|2,0,0]=4 9131 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|2,0,0]=4 9132 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|2,0,0]=4 9133 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 9134 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [2,0,0,0,0,0|2,0,0]=4 9135 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [2,0,0,0,0,0|2,0,0]=4 9136 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [2,0,0,0,0,0|2,0,0]=4 9137 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|2,0,0]=4 9138 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [2,0,0,0,0,0|2,0,0]=4 9139 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [2,0,0,0,0,0|2,0,0]=4 9140 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [2,0,0,0,0,0|2,0,0]=4 9141 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [2,0,0,0,0,0|2,0,0]=4 9142 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [2,0,0,0,0,0|2,0,0]=4 9143 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|2,0,0]=4 9144 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|2,0,0]=4 9145 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [2,0,0,0,0,0|2,0,0]=4 9146 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [2,0,0,0,0,0|2,0,0]=4 9147 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [2,0,0,0,0,0|2,0,0]=4 9148 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [2,0,0,0,0,0|2,0,0]=4 9149 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [2,0,0,0,0,0|2,0,0]=4 9150 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [2,0,0,0,0,0|2,0,0]=4 9151 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [2,0,0,0,0,0|2,0,0]=4 9152 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 9153 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [2,0,0,0,0,0|2,0,0]=4 9154 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [2,0,0,0,0,0|2,0,0]=4 9155 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [2,0,0,0,0,0|2,0,0]=4 9156 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [2,0,0,0,0,0|2,0,0]=4 9157 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [2,0,0,0,0,0|2,0,0]=4 9158 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [2,0,0,0,0,0|2,0,0]=4 9159 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [2,0,0,0,0,0|2,0,0]=4 9160 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [2,0,0,0,0,0|2,0,0]=4 9161 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [2,0,0,0,0,0|2,0,0]=4 9162 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 9163 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 9164 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [2,0,0,0,0,0|2,0,0]=4 9165 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [2,0,0,0,0,0|2,0,0]=4 9166 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [2,0,0,0,0,0|2,0,0]=4 9167 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [2,0,0,0,0,0|2,0,0]=4 9168 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [2,0,0,0,0,0|2,0,0]=4 9169 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [2,0,0,0,0,0|2,0,0]=4 9170 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [2,0,0,0,0,0|2,0,0]=4 9171 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [2,0,0,0,0,0|2,0,0]=4 9172 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 9173 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 9174 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [2,0,0,0,0,0|2,0,0]=4 9175 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [2,0,0,0,0,0|2,0,0]=4 9176 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [2,0,0,0,0,0|2,0,0]=4 9177 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [2,0,0,0,0,0|2,0,0]=4 9178 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [2,0,0,0,0,0|2,0,0]=4 9179 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [2,0,0,0,0,0|2,0,0]=4 9180 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|2,0,0]=4 9181 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 9182 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 9183 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [2,0,0,0,0,0|2,0,0]=4 9184 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [2,0,0,0,0,0|2,0,0]=4 9185 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [2,0,0,0,0,0|2,0,0]=4 9186 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 9187 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [2,0,0,0,0,0|2,0,0]=4 9188 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [2,0,0,0,0,0|2,0,0]=4 9189 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [2,0,0,0,0,0|2,0,0]=4 9190 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [2,0,0,0,0,0|2,0,0]=4 9191 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 9192 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 9193 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [2,0,0,0,0,0|2,0,0]=4 9194 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [2,0,0,0,0,0|2,0,0]=4 9195 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [2,0,0,0,0,0|2,0,0]=4 9196 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [2,0,0,0,0,0|2,0,0]=4 9197 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [2,0,0,0,0,0|2,0,0]=4 9198 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [2,0,0,0,0,0|2,0,0]=4 9199 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [2,0,0,0,0,0|2,0,0]=4 9200 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [2,0,0,0,0,0|2,0,0]=4 9201 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [2,0,0,0,0,0|2,0,0]=4 9202 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [2,0,0,0,0,0|2,0,0]=4 9203 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [2,0,0,0,0,0|2,0,0]=4 9204 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [2,0,0,0,0,0|2,0,0]=4 9205 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 9206 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|2,0,0]=4 9207 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 9208 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [2,0,0,0,0,0|2,0,0]=4 9209 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [2,0,0,0,0,0|2,0,0]=4 9210 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [2,0,0,0,0,0|2,0,0]=4 9211 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [2,0,0,0,0,0|2,0,0]=4 9212 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|2,0,0]=4 9213 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|2,0,0]=4 9214 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,1,0]=4 9215 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,1,0]=4 9216 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 9217 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 9218 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [2,0,0,0,0,0|2,0,0]=4 9219 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|2,0,0]=4 9220 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [2,0,0,0,0,0|2,0,0]=4 9221 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [2,0,0,0,0,0|2,0,0]=4 9222 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [2,0,0,0,0,0|2,0,0]=4 9223 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [2,0,0,0,0,0|2,0,0]=4 9224 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 9225 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 9226 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 9227 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 9228 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 9229 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 9230 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 9231 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 9232 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 9233 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 9234 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 9235 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 9236 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 9237 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 9238 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 9239 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 9240 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 9241 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 9242 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 9243 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 9244 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 9245 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 9246 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 9247 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 9248 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 9249 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 9250 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 9251 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 9252 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 9253 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 9254 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 9255 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,1,0]=4 9256 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,1,0]=4 9257 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|1,0,1]=4 9258 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [1,1,0,0,0,0|2,0,0]=4 9259 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 9260 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [1,1,0,0,0,0|2,0,0]=4 9261 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 9262 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [1,1,0,0,0,0|2,0,0]=4 9263 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [1,1,0,0,0,0|2,0,0]=4 9264 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [1,1,0,0,0,0|2,0,0]=4 9265 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [1,1,0,0,0,0|2,0,0]=4 9266 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 9267 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 9268 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|1,0,1]=4 9269 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 9270 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 9271 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 9272 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|1,0,0]=3 9273 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [1,1,0,0,0,0|1,0,1]=4 9274 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [1,1,0,0,0,0|1,0,1]=4 9275 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [1,1,0,0,0,0|1,0,1]=4 9276 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [1,1,0,0,0,0|2,0,0]=4 9277 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [1,1,0,0,0,0|2,0,0]=4 9278 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [1,1,0,0,0,0|2,0,0]=4 9279 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|2,0,0]=4 9280 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [1,1,0,0,0,0|2,0,0]=4 9281 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|1,0,1]=4 9282 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [1,1,0,0,0,0|1,0,0]=3 9283 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [1,1,0,0,0,0|1,0,0]=3 9284 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|2,0,0]=4 9285 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [1,1,0,0,0,0|2,0,0]=4 9286 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [1,1,0,0,0,0|2,0,0]=4 9287 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [1,1,0,0,0,0|2,0,0]=4 9288 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [1,1,0,0,0,0|2,0,0]=4 9289 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [1,1,0,0,0,0|2,0,0]=4 9290 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [1,1,0,0,0,0|2,0,0]=4 9291 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [1,1,0,0,0,0|2,0,0]=4 9292 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [1,1,0,0,0,0|2,0,0]=4 9293 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [1,1,0,0,0,0|1,0,1]=4 9294 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [1,1,0,0,0,0|1,0,1]=4 9295 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [1,1,0,0,0,0|1,0,1]=4 9296 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [1,1,0,0,0,0|2,0,0]=4 9297 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [1,1,0,0,0,0|2,0,0]=4 9298 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [1,1,0,0,0,0|2,0,0]=4 9299 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [1,1,0,0,0,0|2,0,0]=4 9300 B11R0.30 C=C(C)CCOCCOC(=O)C 34a_100000764851_100009814007 [1,1,0,0,0,0|1,0,1]=4 9301 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [1,1,0,0,0,0|1,0,1]=4 9302 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [1,1,0,0,0,0|1,0,1]=4 9303 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [1,1,0,0,0,0|2,0,0]=4 9304 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [1,1,0,0,0,0|2,0,0]=4 9305 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [1,1,0,0,0,0|2,0,0]=4 9306 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [1,1,0,0,0,0|2,0,0]=4 9307 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [1,1,0,0,0,0|1,0,1]=4 9308 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [1,1,0,0,0,0|1,0,1]=4 9309 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [1,1,0,0,0,0|1,0,1]=4 9310 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [1,1,0,0,0,0|2,0,0]=4 9311 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [1,1,0,0,0,0|2,0,0]=4 9312 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [1,1,0,0,0,0|2,0,0]=4 9313 B11R0.30 C=C(C)COCCCOC(=O)C 34a_100000210245_100000042594 [1,1,0,0,0,0|1,0,1]=4 9314 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [1,1,0,0,0,0|1,0,1]=4 9315 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [1,1,0,0,0,0|1,0,1]=4 9316 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [1,1,0,0,0,0|2,0,0]=4 9317 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [1,1,0,0,0,0|2,0,0]=4 9318 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000042594_100000211660 [1,1,0,0,0,0|1,0,1]=4 9319 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000748629_100000042594 [1,1,0,0,0,0|1,0,1]=4 9320 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,1,0,0,0,0|0,0,2]=4 9321 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [1,1,0,0,0,0|2,0,0]=4 9322 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|0,0,0]=2 9323 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,1,0,0,0,0|1,0,1]=4 9324 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [1,1,0,0,0,0|0,0,1]=3 9325 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,1,0,0,0,0|1,0,0]=3 9326 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [1,1,0,0,0,0|1,0,0]=3 9327 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [1,1,0,0,0,0|2,0,0]=4 9328 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [1,1,0,0,0,0|1,0,1]=4 9329 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [1,1,0,0,0,0|1,0,0]=3 9330 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,1,0,0,0,0|1,0,0]=3 9331 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [1,1,0,0,0,0|1,0,0]=3 9332 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [1,1,0,0,0,0|2,0,0]=4 9333 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [1,1,0,0,0,0|1,0,0]=3 9334 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,1,0,0,0,0|1,0,0]=3 9335 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,1,0,0,0,0|1,0,0]=3 9336 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,1,0,0,0,0|1,0,0]=3 9337 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [1,1,0,0,0,0|1,0,0]=3 9338 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [1,1,0,0,0,0|1,0,0]=3 9339 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [1,1,0,0,0,0|2,0,0]=4 9340 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [1,1,0,0,0,0|2,0,0]=4 9341 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [1,1,0,0,0,0|1,0,0]=3 9342 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [1,1,0,0,0,0|1,0,0]=3 9343 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [1,1,0,0,0,0|1,0,1]=4 9344 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [1,1,0,0,0,0|1,0,1]=4 9345 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [1,1,0,0,0,0|1,0,1]=4 9346 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,1,0,0,0,0|1,0,0]=3 9347 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,1,0,0,0,0|1,0,0]=3 9348 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,1,0,0,0,0|1,0,0]=3 9349 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,1,0,0,0,0|1,0,0]=3 9350 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,1,0,0,0,0|1,0,0]=3 9351 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,1,0,0,0,0|1,0,0]=3 9352 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,1,0,0,0,0|1,0,0]=3 9353 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [1,1,0,0,0,0|2,0,0]=4 9354 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [1,1,0,0,0,0|2,0,0]=4 9355 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,1,0,0,0,0|1,0,0]=3 9356 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [1,1,0,0,0,0|1,0,1]=4 9357 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [1,1,0,0,0,0|2,0,0]=4 9358 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [1,1,0,0,0,0|1,0,1]=4 9359 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [1,1,0,0,0,0|1,0,1]=4 9360 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,1,0,0,0,0|1,0,0]=3 9361 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,1,0,0,0,0|1,0,0]=3 9362 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,1,0,0,0,0|1,0,0]=3 9363 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,1,0,0,0,0|1,0,0]=3 9364 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [1,1,0,0,0,0|2,0,0]=4 9365 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [1,1,0,0,0,0|1,0,1]=4 9366 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [1,1,0,0,0,0|1,0,1]=4 9367 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [1,1,0,0,0,0|2,0,0]=4 9368 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [1,1,0,0,0,0|2,0,0]=4 9369 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,1,0,0,0,0|1,0,0]=3 9370 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,1,0,0,0,0|1,0,0]=3 9371 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,1,0,0,0,0|1,0,0]=3 9372 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,1,0,0,0,0|1,0,0]=3 9373 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,1,0,0,0,0|1,0,0]=3 9374 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [1,1,0,0,0,0|2,0,0]=4 9375 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [1,1,0,0,0,0|1,0,1]=4 9376 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [1,1,0,0,0,0|1,0,1]=4 9377 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [1,1,0,0,0,0|1,0,1]=4 9378 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [1,1,0,0,0,0|2,0,0]=4 9379 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [1,1,0,0,0,0|2,0,0]=4 9380 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [1,1,0,0,0,0|2,0,0]=4 9381 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [1,1,0,0,0,0|2,0,0]=4 9382 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [1,1,0,0,0,0|2,0,0]=4 9383 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [1,1,0,0,0,0|2,0,0]=4 9384 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,1,0,0,0,0|1,0,0]=3 9385 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,1,0,0,0,0|1,0,0]=3 9386 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,1,0,0,0,0|1,0,0]=3 9387 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,1,0,0,0,0|1,0,0]=3 9388 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [1,1,0,0,0,0|2,0,0]=4 9389 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [1,1,0,0,0,0|1,0,1]=4 9390 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [1,1,0,0,0,0|1,0,1]=4 9391 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [1,1,0,0,0,0|2,0,0]=4 9392 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [1,1,0,0,0,0|2,0,0]=4 9393 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [1,1,0,0,0,0|2,0,0]=4 9394 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [1,1,0,0,0,0|2,0,0]=4 9395 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,1,0,0,0,0|1,0,0]=3 9396 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [1,1,0,0,0,0|1,0,1]=4 9397 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,1,0,0,0,0|1,0,1]=4 9398 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,1,0,0,0,0|1,0,0]=3 9399 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,1,0,0,0,0|1,0,0]=3 9400 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,1,0,0,0,0|1,0,0]=3 9401 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [1,1,0,0,0,0|2,0,0]=4 9402 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [1,1,0,0,0,0|2,0,0]=4 9403 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [1,1,0,0,0,0|2,0,0]=4 9404 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [1,1,0,0,0,0|2,0,0]=4 9405 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [1,1,0,0,0,0|2,0,0]=4 9406 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [1,1,0,0,0,0|2,0,0]=4 9407 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [1,1,0,0,0,0|2,0,0]=4 9408 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 9409 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 9410 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 9411 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [1,1,0,0,0,0|2,0,0]=4 9412 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [1,1,0,0,0,0|2,0,0]=4 9413 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [1,1,0,0,0,0|2,0,0]=4 9414 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [1,1,0,0,0,0|2,0,0]=4 9415 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [1,1,0,0,0,0|2,0,0]=4 9416 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [1,1,0,0,0,0|2,0,0]=4 9417 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [1,1,0,0,0,0|2,0,0]=4 9418 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [1,1,0,0,0,0|2,0,0]=4 9419 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [1,1,0,0,0,0|2,0,0]=4 9420 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [1,1,0,0,0,0|2,0,0]=4 9421 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [1,1,0,0,0,0|2,0,0]=4 9422 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [1,1,0,0,0,0|2,0,0]=4 9423 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [1,1,0,0,0,0|2,0,0]=4 9424 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [1,1,0,0,0,0|2,0,0]=4 9425 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [1,1,0,0,0,0|2,0,0]=4 9426 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [1,1,0,0,0,0|1,0,0]=3 9427 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [1,1,0,0,0,0|1,0,0]=3 9428 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [1,1,0,0,0,0|1,0,0]=3 9429 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [1,1,0,0,0,0|1,0,0]=3 9430 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [1,1,0,0,0,0|1,0,0]=3 9431 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [1,1,0,0,0,0|1,0,0]=3 9432 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [1,1,0,0,0,0|1,0,0]=3 9433 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [1,1,0,0,0,0|1,0,0]=3 9434 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [1,1,0,0,0,0|1,0,0]=3 9435 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [1,1,0,0,0,0|1,0,0]=3 9436 B11R0.30 CC(=O)OCCCNCC(F)F 34a_100000765723_100000042594 [1,1,0,0,0,0|2,0,0]=4 9437 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [1,1,0,0,0,0|1,0,0]=3 9438 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [1,1,0,0,0,0|1,0,0]=3 9439 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [1,1,0,0,0,0|1,0,0]=3 9440 B11R0.30 CC(=O)OCCCOCC(F)F 34a_100000743014_100000042594 [1,1,0,0,0,0|2,0,0]=4 9441 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [1,1,0,0,0,0|1,0,0]=3 9442 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [1,1,0,0,0,0|1,0,0]=3 9443 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [1,1,0,0,0,0|1,0,0]=3 9444 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [1,1,0,0,0,0|1,0,0]=3 9445 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [1,1,0,0,0,0|1,0,0]=3 9446 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [1,1,0,0,0,0|1,0,0]=3 9447 B11R0.30 CC(=O)OCCCSCC(F)F 62a_100000042594_100011934356 [1,1,0,0,0,0|2,0,0]=4 9448 B11R0.30 CC(=O)OCCCSCC(F)F 62a_100011934356_100000042594 [1,1,0,0,0,0|2,0,0]=4 9449 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [1,1,0,0,0,0|1,0,0]=3 9450 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [1,1,0,0,0,0|1,0,0]=3 9451 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [1,1,0,0,0,0|1,0,0]=3 9452 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,1,0,0,0,0|1,0,0]=3 9453 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,1,0,0,0,0|1,0,0]=3 9454 B11R0.30 CC(=O)OCCOCCC(F)F 34a_100103093639_100009814007 [1,1,0,0,0,0|2,0,0]=4 9455 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [1,1,0,0,0,0|2,0,0]=4 9456 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [1,1,0,0,0,0|2,0,0]=4 9457 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [1,1,0,0,0,0|1,0,0]=3 9458 B11R0.30 CC(=O)OCCOCNC(C)C 34a_100138425928_100000076355 [1,1,0,0,0,0|2,0,0]=4 9459 B11R0.30 CC(=O)OCCOCOC(C)C 34a_100000212225_100000076355 [1,1,0,0,0,0|2,0,0]=4 9460 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000076355_100000210206 [1,1,0,0,0,0|2,0,0]=4 9461 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000210206_100000076355 [1,1,0,0,0,0|2,0,0]=4 9462 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [1,1,0,0,0,0|1,0,0]=3 9463 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [1,1,0,0,0,0|1,0,0]=3 9464 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [1,1,0,0,0,0|1,0,0]=3 9465 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [1,1,0,0,0,0|1,0,0]=3 9466 B11R0.30 CC(=O)OCCSCCN(C)C 62a_100009814007_100000755713 [1,1,0,0,0,0|2,0,0]=4 9467 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100000709892_100009814007 [1,1,0,0,0,0|2,0,0]=4 9468 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100009814007_100000709892 [1,1,0,0,0,0|2,0,0]=4 9469 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [1,1,0,0,0,0|1,0,0]=3 9470 B11R0.30 CC(=O)OCNCCOC(C)C 34a_100000701111_100009813279 [1,1,0,0,0,0|2,0,0]=4 9471 B11R0.30 CC(=O)OCNCCSC(C)C 34a_100000731138_100009813279 [1,1,0,0,0,0|2,0,0]=4 9472 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [1,1,0,0,0,0|1,0,0]=3 9473 B11R0.30 CC(=O)OCOCCNC(C)C 34a_100000224655_100009813279 [1,1,0,0,0,0|2,0,0]=4 9474 B11R0.30 CC(=O)OCOCCOC(C)C 34a_100000211219_100009813279 [1,1,0,0,0,0|2,0,0]=4 9475 B11R0.30 CC(=O)OCOCCSC(C)C 34a_200011212901_100009813279 [1,1,0,0,0,0|2,0,0]=4 9476 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [1,1,0,0,0,0|1,0,0]=3 9477 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [1,1,0,0,0,0|1,0,0]=3 9478 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [1,1,0,0,0,0|1,0,0]=3 9479 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [1,1,0,0,0,0|1,0,0]=3 9480 B11R0.30 CC(=O)OCSCCCN(C)C 62a_100000076356_100000757444 [1,1,0,0,0,0|2,0,0]=4 9481 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000076356_100000211751 [1,1,0,0,0,0|2,0,0]=4 9482 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000211751_100000076356 [1,1,0,0,0,0|2,0,0]=4 9483 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000076356_100000730970 [1,1,0,0,0,0|2,0,0]=4 9484 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000730970_100000076356 [1,1,0,0,0,0|2,0,0]=4 9485 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [1,1,0,0,0,0|1,1,0]=4 9486 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [1,1,0,0,0,0|1,1,0]=4 9487 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [1,1,0,0,0,0|1,1,0]=4 9488 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [1,1,0,0,0,0|1,1,0]=4 9489 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [1,1,0,0,0,0|1,1,0]=4 9490 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [1,1,0,0,0,0|1,1,0]=4 9491 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [1,1,0,0,0,0|1,1,0]=4 9492 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [1,1,0,0,0,0|1,1,0]=4 9493 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [1,1,0,0,0,0|1,1,0]=4 9494 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [1,1,0,0,0,0|1,1,0]=4 9495 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [1,1,0,0,0,0|1,1,0]=4 9496 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [1,1,0,0,0,0|1,1,0]=4 9497 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [1,1,0,0,0,0|1,1,0]=4 9498 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [1,1,0,0,0,0|1,1,0]=4 9499 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [1,1,0,0,0,0|1,1,0]=4 9500 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [1,1,0,0,0,0|1,1,0]=4 9501 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [1,1,0,0,0,0|1,1,0]=4 9502 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [1,1,0,0,0,0|1,1,0]=4 9503 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [1,1,0,0,0,0|1,1,0]=4 9504 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [1,1,0,0,0,0|1,1,0]=4 9505 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [1,1,0,0,0,0|1,1,0]=4 9506 B11R0.30 CC(=S)OCCCNCC(C)C 2230a_100000210953_200135323944 [1,1,0,0,0,0|1,1,0]=4 9507 B11R0.30 CC(=S)OCCCNCC(C)C 34a_100000210953_200135323944 [1,1,0,0,0,0|1,1,0]=4 9508 B11R0.30 CC(=S)OCCCNCC(C)O 2230a_100000210904_200135323944 [1,1,0,0,0,0|1,1,0]=4 9509 B11R0.30 CC(=S)OCCCNCC(C)O 34a_100000210904_200135323944 [1,1,0,0,0,0|1,1,0]=4 9510 B11R0.30 CC(=S)OCCCOCC(C)Br 34a_100012180447_200135323944 [1,1,0,0,0,0|1,1,0]=4 9511 B11R0.30 CC(=S)OCCCOCC(C)C 34a_100000210257_200135323944 [1,1,0,0,0,0|1,1,0]=4 9512 B11R0.30 CC(=S)OCCCOCC(C)F 34a_100015925927_200135323944 [1,1,0,0,0,0|1,1,0]=4 9513 B11R0.30 CC(=S)OCCCOC[C@@H](C)Cl 34a_100016084084_200135323944 [1,1,0,0,0,0|1,1,0]=4 9514 B11R0.30 CC(=S)OCCCOC[C@@H](C)N 34a_100000737577_200135323944 [1,1,0,0,0,0|1,1,0]=4 9515 B11R0.30 CC(=S)OCCCSCC(C)C 62a_100000210624_200135323944 [1,1,0,0,0,0|1,1,0]=4 9516 B11R0.30 CC(=S)OCCCSCC(C)C 62a_200135323944_100000210760 [1,1,0,0,0,0|1,1,0]=4 9517 B11R0.30 CC(=S)OCCCSCC(C)O 62a_100011218427_200135323944 [1,1,0,0,0,0|1,1,0]=4 9518 B11R0.30 CC(=S)OCCCSCC(C)O 62a_200135323944_100011218427 [1,1,0,0,0,0|1,1,0]=4 9519 B11R0.30 CC(=S)OCCCSC[C@@H](C)O 62a_100009817552_200135323944 [1,1,0,0,0,0|1,1,0]=4 9520 B11R0.30 CC(=S)OCCCSC[C@@H](C)O 62a_200135323944_100009817552 [1,1,0,0,0,0|1,1,0]=4 9521 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,1,0,0,0,0|2,0,0]=4 9522 B11R0.30 CC(Br)CCOCCOC(=O)N 34a_100009893172_200011214921 [1,1,0,0,0,0|2,0,0]=4 9523 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,1,0,0,0,0|0,0,2]=4 9524 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|0,0,0]=2 9525 B11R0.30 CC(C)CCCCCOC(C)C 34a_100000212225_100000210682 [1,1,0,0,0,0|1,0,1]=4 9526 B11R0.30 CC(C)CCCCCOC(C)C 34a_100011995859_100000210206 [1,1,0,0,0,0|1,0,1]=4 9527 B11R0.30 CC(C)CCCCCOC(C)C 7a_100011995859_100000210206 [1,1,0,0,0,0|1,0,1]=4 9528 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [1,1,0,0,0,0|2,0,0]=4 9529 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|2,0,0]=4 9530 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 9531 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 9532 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [1,1,0,0,0,0|2,0,0]=4 9533 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [1,1,0,0,0,0|2,0,0]=4 9534 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [1,1,0,0,0,0|2,0,0]=4 9535 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [1,1,0,0,0,0|2,0,0]=4 9536 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [1,1,0,0,0,0|2,0,0]=4 9537 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,1,0,0,0,0|2,0,0]=4 9538 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,1,0,0,0,0|2,0,0]=4 9539 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,1,0,0,0,0|2,0,0]=4 9540 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 9541 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,1,0,0,0,0|2,0,0]=4 9542 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 9543 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,1,0,0,0,0|2,0,0]=4 9544 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,1,0,0,0,0|2,0,0]=4 9545 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [1,1,0,0,0,0|2,0,0]=4 9546 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [1,1,0,0,0,0|2,0,0]=4 9547 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [1,1,0,0,0,0|2,0,0]=4 9548 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 9549 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 9550 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [1,1,0,0,0,0|2,0,0]=4 9551 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [1,1,0,0,0,0|2,0,0]=4 9552 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [1,1,0,0,0,0|2,0,0]=4 9553 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [1,1,0,0,0,0|2,0,0]=4 9554 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [1,1,0,0,0,0|2,0,0]=4 9555 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [1,1,0,0,0,0|2,0,0]=4 9556 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [1,1,0,0,0,0|2,0,0]=4 9557 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [1,1,0,0,0,0|2,0,0]=4 9558 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [1,1,0,0,0,0|2,0,0]=4 9559 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [1,1,0,0,0,0|2,0,0]=4 9560 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [1,1,0,0,0,0|2,0,0]=4 9561 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 9562 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 9563 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 9564 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,1,0,0,0,0|2,0,0]=4 9565 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 9566 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,1,0,0,0,0|2,0,0]=4 9567 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,1,0,0,0,0|2,0,0]=4 9568 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,1,0,0,0,0|2,0,0]=4 9569 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 9570 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 9571 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,1,0,0,0,0|2,0,0]=4 9572 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,1,0,0,0,0|2,0,0]=4 9573 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [1,1,0,0,0,0|2,0,0]=4 9574 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [1,1,0,0,0,0|2,0,0]=4 9575 B11R0.30 CC(O)CCOCCOC(=O)N 7a_100000766696_100012276601 [1,1,0,0,0,0|2,0,0]=4 9576 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [1,1,0,0,0,0|2,0,0]=4 9577 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [1,1,0,0,0,0|2,0,0]=4 9578 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [1,1,0,0,0,0|2,0,0]=4 9579 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [1,1,0,0,0,0|2,0,0]=4 9580 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [1,1,0,0,0,0|2,0,0]=4 9581 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 9582 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 9583 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,1,0,0,0,0|2,0,0]=4 9584 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [1,1,0,0,0,0|2,0,0]=4 9585 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [1,1,0,0,0,0|2,0,0]=4 9586 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 9587 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 9588 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|0,0,1]=3 9589 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [1,1,0,0,0,0|1,0,1]=4 9590 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [1,1,0,0,0,0|1,0,1]=4 9591 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [1,1,0,0,0,0|1,0,1]=4 9592 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [1,1,0,0,0,0|0,0,2]=4 9593 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [1,1,0,0,0,0|0,0,2]=4 9594 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [1,1,0,0,0,0|0,0,2]=4 9595 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,1,0,0,0,0|0,0,2]=4 9596 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [1,1,0,0,0,0|0,0,2]=4 9597 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [1,1,0,0,0,0|0,0,2]=4 9598 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [1,1,0,0,0,0|0,0,2]=4 9599 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [1,1,0,0,0,0|0,0,2]=4 9600 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [1,1,0,0,0,0|1,0,1]=4 9601 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [1,1,0,0,0,0|1,0,1]=4 9602 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,1]=3 9603 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|1,0,1]=4 9604 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [1,1,0,0,0,0|1,0,1]=4 9605 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|1,0,1]=4 9606 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|1,0,1]=4 9607 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [1,1,0,0,0,0|1,0,1]=4 9608 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [1,1,0,0,0,0|1,0,1]=4 9609 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [1,1,0,0,0,0|1,0,1]=4 9610 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [1,1,0,0,0,0|1,0,1]=4 9611 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [1,1,0,0,0,0|1,0,1]=4 9612 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [1,1,0,0,0,0|1,0,1]=4 9613 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [1,1,0,0,0,0|1,0,1]=4 9614 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [1,1,0,0,0,0|1,0,1]=4 9615 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [1,1,0,0,0,0|1,0,1]=4 9616 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,0,0,0,0|0,0,2]=4 9617 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,0,0,0,0|0,0,2]=4 9618 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [1,1,0,0,0,0|0,0,2]=4 9619 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,2]=4 9620 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [1,1,0,0,0,0|0,0,2]=4 9621 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [1,1,0,0,0,0|0,0,2]=4 9622 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [1,1,0,0,0,0|0,0,2]=4 9623 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [1,1,0,0,0,0|0,0,2]=4 9624 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [1,1,0,0,0,0|1,0,1]=4 9625 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|1,0,0]=3 9626 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|1,0,0]=3 9627 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,1,0,0,0,0|1,0,0]=3 9628 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,1,0,0,0,0|2,0,0]=4 9629 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [1,1,0,0,0,0|2,0,0]=4 9630 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [1,1,0,0,0,0|2,0,0]=4 9631 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [1,1,0,0,0,0|2,0,0]=4 9632 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [1,1,0,0,0,0|2,0,0]=4 9633 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [1,1,0,0,0,0|2,0,0]=4 9634 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,1,0,0,0,0|2,0,0]=4 9635 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [1,1,0,0,0,0|2,0,0]=4 9636 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [1,1,0,0,0,0|2,0,0]=4 9637 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [1,1,0,0,0,0|2,0,0]=4 9638 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [1,1,0,0,0,0|2,0,0]=4 9639 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [1,1,0,0,0,0|2,0,0]=4 9640 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [1,1,0,0,0,0|2,0,0]=4 9641 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [1,1,0,0,0,0|2,0,0]=4 9642 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,1,0,0,0,0|2,0,0]=4 9643 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,1,0,0,0,0|2,0,0]=4 9644 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 9645 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 9646 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 9647 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,1,0,0,0,0|2,0,0]=4 9648 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [1,1,0,0,0,0|2,0,0]=4 9649 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [1,1,0,0,0,0|2,0,0]=4 9650 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [1,1,0,0,0,0|2,0,0]=4 9651 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [1,1,0,0,0,0|2,0,0]=4 9652 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,1,0,0,0,0|0,0,2]=4 9653 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [1,1,0,0,0,0|0,0,2]=4 9654 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [1,1,0,0,0,0|0,0,2]=4 9655 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [1,1,0,0,0,0|0,0,2]=4 9656 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [1,1,0,0,0,0|0,0,2]=4 9657 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [1,1,0,0,0,0|0,0,2]=4 9658 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,1,0,0,0,0|0,0,2]=4 9659 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|0,0,2]=4 9660 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,1,0,0,0,0|0,0,2]=4 9661 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [1,1,0,0,0,0|0,0,2]=4 9662 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [1,1,0,0,0,0|0,0,2]=4 9663 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [1,1,0,0,0,0|0,0,2]=4 9664 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|0,0,0]=2 9665 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|0,0,0]=2 9666 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|0,0,0]=2 9667 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,0]=2 9668 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|0,0,0]=2 9669 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|0,0,0]=2 9670 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|0,0,0]=2 9671 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|0,0,0]=2 9672 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,1,0,0,0,0|1,0,1]=4 9673 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|0,0,2]=4 9674 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|0,0,2]=4 9675 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|0,0,2]=4 9676 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|0,0,2]=4 9677 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,1,0,0,0,0|2,0,0]=4 9678 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,1,0,0,0,0|2,0,0]=4 9679 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,1,0,0,0,0|2,0,0]=4 9680 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,1,0,0,0,0|2,0,0]=4 9681 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [1,1,0,0,0,0|2,0,0]=4 9682 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 9683 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 9684 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 9685 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|1,0,0]=3 9686 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 9687 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 9688 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,1,0,0,0,0|1,0,0]=3 9689 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,1,0,0,0,0|1,0,0]=3 9690 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,1,0,0,0,0|1,0,0]=3 9691 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,1,0,0,0,0|1,0,0]=3 9692 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,1,0,0,0,0|1,0,0]=3 9693 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,1,0,0,0,0|1,0,0]=3 9694 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [1,1,0,0,0,0|1,0,1]=4 9695 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [1,1,0,0,0,0|1,0,1]=4 9696 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,1,0,0,0,0|1,0,1]=4 9697 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,1,0,0,0,0|1,0,1]=4 9698 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,1,0,0,0,0|1,0,1]=4 9699 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [1,1,0,0,0,0|1,0,1]=4 9700 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [1,1,0,0,0,0|1,0,1]=4 9701 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [1,1,0,0,0,0|1,0,1]=4 9702 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,1,0,0,0,0|0,0,2]=4 9703 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,1,0,0,0,0|0,0,2]=4 9704 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,1,0,0,0,0|1,0,0]=3 9705 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,1,0,0,0,0|1,0,0]=3 9706 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,0]=3 9707 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,1,0,0,0,0|1,0,0]=3 9708 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,1,0,0,0,0|1,0,0]=3 9709 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,1,0,0,0,0|1,0,0]=3 9710 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,1,0,0,0,0|1,0,0]=3 9711 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,1,0,0,0,0|1,0,0]=3 9712 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,0]=3 9713 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,0]=3 9714 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,1,0,0,0,0|1,0,0]=3 9715 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,1,0,0,0,0|1,0,0]=3 9716 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,1,0,0,0,0|1,0,0]=3 9717 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,1,0,0,0,0|1,0,0]=3 9718 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,0]=3 9719 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,0]=3 9720 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,1,0,0,0,0|1,0,0]=3 9721 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,1,0,0,0,0|1,0,0]=3 9722 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,1,0,0,0,0|1,0,0]=3 9723 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,0]=3 9724 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,1,0,0,0,0|1,0,0]=3 9725 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,1,0,0,0,0|1,0,0]=3 9726 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,1,0,0,0,0|1,0,0]=3 9727 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,0]=3 9728 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,0]=3 9729 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,1,0,0,0,0|1,0,0]=3 9730 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,1,0,0,0,0|1,0,0]=3 9731 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,0]=3 9732 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,0]=3 9733 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,1,0,0,0,0|1,0,0]=3 9734 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,1,0,0,0,0|1,0,0]=3 9735 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,1,0,0,0,0|1,0,0]=3 9736 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,1,0,0,0,0|1,0,0]=3 9737 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,1,0,0,0,0|1,0,0]=3 9738 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,0]=3 9739 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,0]=3 9740 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [1,1,0,0,0,0|2,0,0]=4 9741 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [1,1,0,0,0,0|2,0,0]=4 9742 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [1,1,0,0,0,0|1,0,0]=3 9743 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,1,0,0,0,0|1,0,0]=3 9744 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,1,0,0,0,0|1,0,0]=3 9745 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [1,1,0,0,0,0|2,0,0]=4 9746 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,0]=3 9747 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,0]=3 9748 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,1,0,0,0,0|2,0,0]=4 9749 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,1,0,0,0,0|2,0,0]=4 9750 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,1,0,0,0,0|2,0,0]=4 9751 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,1,0,0,0,0|1,0,0]=3 9752 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [1,1,0,0,0,0|1,0,0]=3 9753 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [1,1,0,0,0,0|1,0,0]=3 9754 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,1,0,0,0,0|1,0,0]=3 9755 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [1,1,0,0,0,0|2,0,0]=4 9756 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [1,1,0,0,0,0|2,0,0]=4 9757 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [1,1,0,0,0,0|2,0,0]=4 9758 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [1,1,0,0,0,0|2,0,0]=4 9759 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [1,1,0,0,0,0|2,0,0]=4 9760 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [1,1,0,0,0,0|2,0,0]=4 9761 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [1,1,0,0,0,0|2,0,0]=4 9762 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [1,1,0,0,0,0|2,0,0]=4 9763 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [1,1,0,0,0,0|2,0,0]=4 9764 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,1,0,0,0,0|1,0,0]=3 9765 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,1,0,0,0,0|1,0,0]=3 9766 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,0]=3 9767 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,0]=3 9768 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 9769 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 9770 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 9771 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [1,1,0,0,0,0|2,0,0]=4 9772 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 9773 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 9774 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [1,1,0,0,0,0|2,0,0]=4 9775 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [1,1,0,0,0,0|2,0,0]=4 9776 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [1,1,0,0,0,0|2,0,0]=4 9777 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [1,1,0,0,0,0|2,0,0]=4 9778 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [1,1,0,0,0,0|2,0,0]=4 9779 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [1,1,0,0,0,0|2,0,0]=4 9780 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [1,1,0,0,0,0|1,0,0]=3 9781 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [1,1,0,0,0,0|1,0,0]=3 9782 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,0]=3 9783 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,0]=3 9784 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,0]=3 9785 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [1,1,0,0,0,0|2,0,0]=4 9786 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [1,1,0,0,0,0|2,0,0]=4 9787 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [1,1,0,0,0,0|2,0,0]=4 9788 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 9789 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 9790 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [1,1,0,0,0,0|2,0,0]=4 9791 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [1,1,0,0,0,0|2,0,0]=4 9792 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [1,1,0,0,0,0|2,0,0]=4 9793 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [1,1,0,0,0,0|2,0,0]=4 9794 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [1,1,0,0,0,0|2,0,0]=4 9795 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [1,1,0,0,0,0|2,0,0]=4 9796 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [1,1,0,0,0,0|2,0,0]=4 9797 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [1,1,0,0,0,0|2,0,0]=4 9798 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [1,1,0,0,0,0|2,0,0]=4 9799 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [1,1,0,0,0,0|2,0,0]=4 9800 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [1,1,0,0,0,0|2,0,0]=4 9801 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [1,1,0,0,0,0|2,0,0]=4 9802 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [1,1,0,0,0,0|2,0,0]=4 9803 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [1,1,0,0,0,0|2,0,0]=4 9804 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [1,1,0,0,0,0|2,0,0]=4 9805 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [1,1,0,0,0,0|2,0,0]=4 9806 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [1,1,0,0,0,0|2,0,0]=4 9807 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [1,1,0,0,0,0|2,0,0]=4 9808 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [1,1,0,0,0,0|2,0,0]=4 9809 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [1,1,0,0,0,0|2,0,0]=4 9810 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [1,1,0,0,0,0|2,0,0]=4 9811 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [1,1,0,0,0,0|2,0,0]=4 9812 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [1,1,0,0,0,0|2,0,0]=4 9813 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [1,1,0,0,0,0|2,0,0]=4 9814 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [1,1,0,0,0,0|2,0,0]=4 9815 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,0]=3 9816 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,0]=3 9817 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [1,1,0,0,0,0|2,0,0]=4 9818 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [1,1,0,0,0,0|2,0,0]=4 9819 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [1,1,0,0,0,0|2,0,0]=4 9820 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [1,1,0,0,0,0|2,0,0]=4 9821 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [1,1,0,0,0,0|2,0,0]=4 9822 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [1,1,0,0,0,0|2,0,0]=4 9823 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [1,1,0,0,0,0|2,0,0]=4 9824 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [1,1,0,0,0,0|2,0,0]=4 9825 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [1,1,0,0,0,0|2,0,0]=4 9826 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,0]=3 9827 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|1,0,0]=3 9828 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|1,0,0]=3 9829 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|1,0,0]=3 9830 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [1,1,0,0,0,0|2,0,0]=4 9831 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [1,1,0,0,0,0|2,0,0]=4 9832 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [1,1,0,0,0,0|2,0,0]=4 9833 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [1,1,0,0,0,0|2,0,0]=4 9834 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [1,1,0,0,0,0|2,0,0]=4 9835 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [1,1,0,0,0,0|2,0,0]=4 9836 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [1,1,0,0,0,0|2,0,0]=4 9837 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [1,1,0,0,0,0|2,0,0]=4 9838 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [1,1,0,0,0,0|2,0,0]=4 9839 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [1,1,0,0,0,0|2,0,0]=4 9840 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [1,1,0,0,0,0|2,0,0]=4 9841 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [1,1,0,0,0,0|2,0,0]=4 9842 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [1,1,0,0,0,0|2,0,0]=4 9843 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [1,1,0,0,0,0|2,0,0]=4 9844 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [1,1,0,0,0,0|2,0,0]=4 9845 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [1,1,0,0,0,0|2,0,0]=4 9846 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [1,1,0,0,0,0|2,0,0]=4 9847 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [1,1,0,0,0,0|2,0,0]=4 9848 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [1,1,0,0,0,0|2,0,0]=4 9849 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [1,1,0,0,0,0|2,0,0]=4 9850 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [1,1,0,0,0,0|2,0,0]=4 9851 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [1,1,0,0,0,0|2,0,0]=4 9852 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [1,1,0,0,0,0|2,0,0]=4 9853 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [1,1,0,0,0,0|2,0,0]=4 9854 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [1,1,0,0,0,0|2,0,0]=4 9855 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [1,1,0,0,0,0|2,0,0]=4 9856 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [1,1,0,0,0,0|2,0,0]=4 9857 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [1,1,0,0,0,0|2,0,0]=4 9858 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [1,1,0,0,0,0|2,0,0]=4 9859 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [1,1,0,0,0,0|2,0,0]=4 9860 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [1,1,0,0,0,0|2,0,0]=4 9861 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [1,1,0,0,0,0|2,0,0]=4 9862 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [1,1,0,0,0,0|2,0,0]=4 9863 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [1,1,0,0,0,0|2,0,0]=4 9864 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [1,1,0,0,0,0|2,0,0]=4 9865 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [1,1,0,0,0,0|2,0,0]=4 9866 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [1,1,0,0,0,0|2,0,0]=4 9867 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [1,1,0,0,0,0|2,0,0]=4 9868 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [1,1,0,0,0,0|2,0,0]=4 9869 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [1,1,0,0,0,0|2,0,0]=4 9870 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [1,1,0,0,0,0|2,0,0]=4 9871 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [1,1,0,0,0,0|2,0,0]=4 9872 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|1,0,0]=3 9873 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|1,0,0]=3 9874 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [1,1,0,0,0,0|2,0,0]=4 9875 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [1,1,0,0,0,0|2,0,0]=4 9876 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [1,1,0,0,0,0|2,0,0]=4 9877 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 9878 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 9879 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [1,1,0,0,0,0|2,0,0]=4 9880 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [1,1,0,0,0,0|2,0,0]=4 9881 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [1,1,0,0,0,0|2,0,0]=4 9882 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [1,1,0,0,0,0|2,0,0]=4 9883 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [1,1,0,0,0,0|2,0,0]=4 9884 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [1,1,0,0,0,0|2,0,0]=4 9885 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [1,1,0,0,0,0|2,0,0]=4 9886 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [1,1,0,0,0,0|2,0,0]=4 9887 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [1,1,0,0,0,0|2,0,0]=4 9888 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [1,1,0,0,0,0|2,0,0]=4 9889 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [1,1,0,0,0,0|2,0,0]=4 9890 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [1,1,0,0,0,0|2,0,0]=4 9891 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [1,1,0,0,0,0|2,0,0]=4 9892 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [1,1,0,0,0,0|2,0,0]=4 9893 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|1,0,0]=3 9894 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [1,1,0,0,0,0|2,0,0]=4 9895 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [1,1,0,0,0,0|2,0,0]=4 9896 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [1,1,0,0,0,0|2,0,0]=4 9897 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [1,1,0,0,0,0|2,0,0]=4 9898 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [1,1,0,0,0,0|2,0,0]=4 9899 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [1,1,0,0,0,0|2,0,0]=4 9900 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [1,1,0,0,0,0|2,0,0]=4 9901 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [1,1,0,0,0,0|2,0,0]=4 9902 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [1,1,0,0,0,0|2,0,0]=4 9903 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [1,1,0,0,0,0|2,0,0]=4 9904 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [1,1,0,0,0,0|2,0,0]=4 9905 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [1,1,0,0,0,0|2,0,0]=4 9906 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [1,1,0,0,0,0|2,0,0]=4 9907 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [1,1,0,0,0,0|2,0,0]=4 9908 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [1,1,0,0,0,0|2,0,0]=4 9909 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [1,1,0,0,0,0|2,0,0]=4 9910 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [1,1,0,0,0,0|2,0,0]=4 9911 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [1,1,0,0,0,0|2,0,0]=4 9912 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [1,1,0,0,0,0|2,0,0]=4 9913 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [1,1,0,0,0,0|2,0,0]=4 9914 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [1,1,0,0,0,0|2,0,0]=4 9915 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [1,1,0,0,0,0|2,0,0]=4 9916 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [1,1,0,0,0,0|2,0,0]=4 9917 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [1,1,0,0,0,0|2,0,0]=4 9918 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [1,1,0,0,0,0|2,0,0]=4 9919 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [1,1,0,0,0,0|2,0,0]=4 9920 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [1,1,0,0,0,0|2,0,0]=4 9921 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [1,1,0,0,0,0|2,0,0]=4 9922 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [1,1,0,0,0,0|2,0,0]=4 9923 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [1,1,0,0,0,0|2,0,0]=4 9924 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [1,1,0,0,0,0|2,0,0]=4 9925 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [1,1,0,0,0,0|2,0,0]=4 9926 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [1,1,0,0,0,0|2,0,0]=4 9927 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [1,1,0,0,0,0|2,0,0]=4 9928 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [1,1,0,0,0,0|2,0,0]=4 9929 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [1,1,0,0,0,0|2,0,0]=4 9930 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [1,1,0,0,0,0|2,0,0]=4 9931 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [1,1,0,0,0,0|2,0,0]=4 9932 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [1,1,0,0,0,0|2,0,0]=4 9933 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [1,1,0,0,0,0|2,0,0]=4 9934 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [1,1,0,0,0,0|2,0,0]=4 9935 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [1,1,0,0,0,0|2,0,0]=4 9936 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [1,1,0,0,0,0|2,0,0]=4 9937 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [1,1,0,0,0,0|2,0,0]=4 9938 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [1,1,0,0,0,0|2,0,0]=4 9939 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [1,1,0,0,0,0|2,0,0]=4 9940 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [1,1,0,0,0,0|2,0,0]=4 9941 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [1,1,0,0,0,0|2,0,0]=4 9942 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [1,1,0,0,0,0|2,0,0]=4 9943 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [1,1,0,0,0,0|2,0,0]=4 9944 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [1,1,0,0,0,0|2,0,0]=4 9945 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [1,1,0,0,0,0|2,0,0]=4 9946 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [1,1,0,0,0,0|2,0,0]=4 9947 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [1,1,0,0,0,0|2,0,0]=4 9948 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [1,1,0,0,0,0|2,0,0]=4 9949 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [1,1,0,0,0,0|2,0,0]=4 9950 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [1,1,0,0,0,0|2,0,0]=4 9951 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [1,1,0,0,0,0|2,0,0]=4 9952 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [1,1,0,0,0,0|2,0,0]=4 9953 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [1,1,0,0,0,0|2,0,0]=4 9954 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [1,1,0,0,0,0|2,0,0]=4 9955 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [1,1,0,0,0,0|2,0,0]=4 9956 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [1,1,0,0,0,0|2,0,0]=4 9957 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [1,1,0,0,0,0|2,0,0]=4 9958 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [1,1,0,0,0,0|2,0,0]=4 9959 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [1,1,0,0,0,0|2,0,0]=4 9960 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [1,1,0,0,0,0|2,0,0]=4 9961 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [1,1,0,0,0,0|2,0,0]=4 9962 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [1,1,0,0,0,0|2,0,0]=4 9963 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [1,1,0,0,0,0|2,0,0]=4 9964 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [1,1,0,0,0,0|2,0,0]=4 9965 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [1,1,0,0,0,0|2,0,0]=4 9966 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [1,1,0,0,0,0|2,0,0]=4 9967 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [1,1,0,0,0,0|2,0,0]=4 9968 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [1,1,0,0,0,0|2,0,0]=4 9969 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [1,1,0,0,0,0|2,0,0]=4 9970 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [1,1,0,0,0,0|2,0,0]=4 9971 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [1,1,0,0,0,0|2,0,0]=4 9972 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [1,1,0,0,0,0|2,0,0]=4 9973 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [1,1,0,0,0,0|2,0,0]=4 9974 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [1,1,0,0,0,0|2,0,0]=4 9975 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [1,1,0,0,0,0|2,0,0]=4 9976 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [1,1,0,0,0,0|2,0,0]=4 9977 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [1,1,0,0,0,0|2,0,0]=4 9978 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [1,1,0,0,0,0|2,0,0]=4 9979 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [1,1,0,0,0,0|2,0,0]=4 9980 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [1,1,0,0,0,0|2,0,0]=4 9981 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [1,1,0,0,0,0|2,0,0]=4 9982 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [1,1,0,0,0,0|2,0,0]=4 9983 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [1,1,0,0,0,0|2,0,0]=4 9984 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [1,1,0,0,0,0|2,0,0]=4 9985 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [1,1,0,0,0,0|2,0,0]=4 9986 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [1,1,0,0,0,0|2,0,0]=4 9987 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [1,1,0,0,0,0|2,0,0]=4 9988 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [1,1,0,0,0,0|2,0,0]=4 9989 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [1,1,0,0,0,0|2,0,0]=4 9990 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [1,1,0,0,0,0|2,0,0]=4 9991 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [1,1,0,0,0,0|2,0,0]=4 9992 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [1,1,0,0,0,0|2,0,0]=4 9993 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [1,1,0,0,0,0|2,0,0]=4 9994 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [1,1,0,0,0,0|2,0,0]=4 9995 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [1,1,0,0,0,0|2,0,0]=4 9996 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [1,1,0,0,0,0|2,0,0]=4 9997 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [1,1,0,0,0,0|2,0,0]=4 9998 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [1,1,0,0,0,0|2,0,0]=4 9999 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [1,1,0,0,0,0|2,0,0]=4 10000 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [1,1,0,0,0,0|2,0,0]=4 10001 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,0]=3 10002 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,0]=3 10003 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,0]=3 10004 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [1,1,0,0,0,0|2,0,0]=4 10005 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [1,1,0,0,0,0|2,0,0]=4 10006 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|1,0,0]=3 10007 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|1,0,0]=3 10008 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|1,0,0]=3 10009 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|1,0,0]=3 10010 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|1,0,0]=3 10011 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|1,0,0]=3 10012 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 10013 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,1,0,0,0,0|2,0,0]=4 10014 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,1,0,0,0,0|2,0,0]=4 10015 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,1,0,0,0,0|2,0,0]=4 10016 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,1,0,0,0,0|2,0,0]=4 10017 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,1,0,0,0,0|2,0,0]=4 10018 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,1,0,0,0,0|2,0,0]=4 10019 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 10020 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 10021 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 10022 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,1,0,0,0,0|2,0,0]=4 10023 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 10024 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 10025 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [1,1,0,0,0,0|2,0,0]=4 10026 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,1,0,0,0,0|2,0,0]=4 10027 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,1,0,0,0,0|2,0,0]=4 10028 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,1,0,0,0,0|2,0,0]=4 10029 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 10030 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [1,1,0,0,0,0|2,0,0]=4 10031 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [1,1,0,0,0,0|2,0,0]=4 10032 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [1,1,0,0,0,0|2,0,0]=4 10033 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [1,1,0,0,0,0|2,0,0]=4 10034 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [1,1,0,0,0,0|2,0,0]=4 10035 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,1,0,0,0,0|2,0,0]=4 10036 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,1,0,0,0,0|2,0,0]=4 10037 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,1,0,0,0,0|2,0,0]=4 10038 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,1,0,0,0,0|2,0,0]=4 10039 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,1,0,0,0,0|2,0,0]=4 10040 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,1,0,0,0,0|2,0,0]=4 10041 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [1,1,0,0,0,0|2,0,0]=4 10042 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [1,1,0,0,0,0|2,0,0]=4 10043 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [1,1,0,0,0,0|2,0,0]=4 10044 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [1,1,0,0,0,0|2,0,0]=4 10045 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [1,1,0,0,0,0|2,0,0]=4 10046 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [1,1,0,0,0,0|2,0,0]=4 10047 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,1,0,0,0,0|2,0,0]=4 10048 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 10049 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [1,1,0,0,0,0|2,0,0]=4 10050 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,1,0,0,0,0|2,0,0]=4 10051 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,1,0,0,0,0|2,0,0]=4 10052 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 10053 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,1,0,0,0,0|2,0,0]=4 10054 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,1,0,0,0,0|2,0,0]=4 10055 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,1,0,0,0,0|2,0,0]=4 10056 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,1,0,0,0,0|2,0,0]=4 10057 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [1,1,0,0,0,0|2,0,0]=4 10058 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [1,1,0,0,0,0|2,0,0]=4 10059 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,1,0,0,0,0|2,0,0]=4 10060 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,1,0,0,0,0|2,0,0]=4 10061 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,1,0,0,0,0|2,0,0]=4 10062 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,1,0,0,0,0|2,0,0]=4 10063 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 10064 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 10065 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 10066 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,1,0,0,0,0|2,0,0]=4 10067 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 10068 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 10069 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 10070 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,1,0,0,0,0|2,0,0]=4 10071 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,1,0,0,0,0|2,0,0]=4 10072 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,1,0,0,0,0|2,0,0]=4 10073 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,1,0,0,0,0|2,0,0]=4 10074 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,1,0,0,0,0|2,0,0]=4 10075 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,1,0,0,0,0|2,0,0]=4 10076 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,1,0,0,0,0|2,0,0]=4 10077 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,1,0,0,0,0|2,0,0]=4 10078 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [1,1,0,0,0,0|2,0,0]=4 10079 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [1,1,0,0,0,0|2,0,0]=4 10080 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [1,1,0,0,0,0|2,0,0]=4 10081 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [1,1,0,0,0,0|2,0,0]=4 10082 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [1,1,0,0,0,0|2,0,0]=4 10083 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,0]=3 10084 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|1,0,0]=3 10085 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|1,0,0]=3 10086 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|1,0,0]=3 10087 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 10088 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 10089 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,1,0,0,0,0|2,0,0]=4 10090 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,1,0,0,0,0|2,0,0]=4 10091 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,1,0,0,0,0|2,0,0]=4 10092 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [1,1,0,0,0,0|2,0,0]=4 10093 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [1,1,0,0,0,0|2,0,0]=4 10094 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [1,1,0,0,0,0|2,0,0]=4 10095 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [1,1,0,0,0,0|2,0,0]=4 10096 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [1,1,0,0,0,0|2,0,0]=4 10097 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [1,1,0,0,0,0|2,0,0]=4 10098 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,1,0,0,0,0|2,0,0]=4 10099 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,1,0,0,0,0|2,0,0]=4 10100 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [1,1,0,0,0,0|2,0,0]=4 10101 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [1,1,0,0,0,0|2,0,0]=4 10102 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [1,1,0,0,0,0|2,0,0]=4 10103 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [1,1,0,0,0,0|2,0,0]=4 10104 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [1,1,0,0,0,0|2,0,0]=4 10105 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,1,0,0,0,0|1,0,1]=4 10106 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|1,0,0]=3 10107 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,0]=3 10108 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 10109 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 10110 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [1,1,0,0,0,0|1,0,1]=4 10111 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [1,1,0,0,0,0|2,0,0]=4 10112 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [1,1,0,0,0,0|2,0,0]=4 10113 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [1,1,0,0,0,0|2,0,0]=4 10114 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [1,1,0,0,0,0|2,0,0]=4 10115 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [1,1,0,0,0,0|2,0,0]=4 10116 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [1,1,0,0,0,0|2,0,0]=4 10117 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [1,1,0,0,0,0|2,0,0]=4 10118 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [1,1,0,0,0,0|2,0,0]=4 10119 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [1,1,0,0,0,0|2,0,0]=4 10120 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [1,1,0,0,0,0|2,0,0]=4 10121 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [1,1,0,0,0,0|2,0,0]=4 10122 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [1,1,0,0,0,0|2,0,0]=4 10123 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [1,1,0,0,0,0|2,0,0]=4 10124 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [1,1,0,0,0,0|2,0,0]=4 10125 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [1,1,0,0,0,0|2,0,0]=4 10126 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|0,0,0]=2 10127 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [1,1,0,0,0,0|2,0,0]=4 10128 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [1,1,0,0,0,0|2,0,0]=4 10129 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [1,1,0,0,0,0|2,0,0]=4 10130 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 10131 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 10132 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 10133 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [1,1,0,0,0,0|1,0,0]=3 10134 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [1,1,0,0,0,0|1,0,0]=3 10135 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [1,1,0,0,0,0|2,0,0]=4 10136 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [1,1,0,0,0,0|2,0,0]=4 10137 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|2,0,0]=4 10138 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 10139 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 10140 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [1,1,0,0,0,0|1,0,0]=3 10141 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [1,1,0,0,0,0|1,0,0]=3 10142 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 10143 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 10144 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 10145 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 10146 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [1,1,0,0,0,0|2,0,0]=4 10147 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [1,1,0,0,0,0|2,0,0]=4 10148 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 10149 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 10150 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [1,1,0,0,0,0|1,0,0]=3 10151 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [1,1,0,0,0,0|1,0,0]=3 10152 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [1,1,0,0,0,0|2,0,0]=4 10153 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [1,1,0,0,0,0|2,0,0]=4 10154 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [1,1,0,0,0,0|2,0,0]=4 10155 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [1,1,0,0,0,0|2,0,0]=4 10156 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [1,1,0,0,0,0|2,0,0]=4 10157 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [1,1,0,0,0,0|2,0,0]=4 10158 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|2,0,0]=4 10159 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|2,0,0]=4 10160 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [1,1,0,0,0,0|1,0,1]=4 10161 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [1,1,0,0,0,0|1,0,0]=3 10162 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [1,1,0,0,0,0|1,0,0]=3 10163 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [1,1,0,0,0,0|2,0,0]=4 10164 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [1,1,0,0,0,0|1,0,1]=4 10165 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [1,1,0,0,0,0|1,0,1]=4 10166 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [1,1,0,0,0,0|2,0,0]=4 10167 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [1,1,0,0,0,0|2,0,0]=4 10168 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [1,1,0,0,0,0|2,0,0]=4 10169 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [1,1,0,0,0,0|2,0,0]=4 10170 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [1,1,0,0,0,0|2,0,0]=4 10171 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [1,1,0,0,0,0|2,0,0]=4 10172 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [1,1,0,0,0,0|2,0,0]=4 10173 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [1,1,0,0,0,0|2,0,0]=4 10174 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [1,1,0,0,0,0|2,0,0]=4 10175 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [1,1,0,0,0,0|2,0,0]=4 10176 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [1,1,0,0,0,0|2,0,0]=4 10177 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [1,1,0,0,0,0|2,0,0]=4 10178 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [1,1,0,0,0,0|2,0,0]=4 10179 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [1,1,0,0,0,0|2,0,0]=4 10180 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [1,1,0,0,0,0|2,0,0]=4 10181 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [1,1,0,0,0,0|2,0,0]=4 10182 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [1,1,0,0,0,0|2,0,0]=4 10183 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [1,1,0,0,0,0|2,0,0]=4 10184 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [1,1,0,0,0,0|2,0,0]=4 10185 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [1,1,0,0,0,0|2,0,0]=4 10186 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [1,1,0,0,0,0|2,0,0]=4 10187 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [1,1,0,0,0,0|2,0,0]=4 10188 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [1,1,0,0,0,0|2,0,0]=4 10189 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [1,1,0,0,0,0|2,0,0]=4 10190 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [1,1,0,0,0,0|2,0,0]=4 10191 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [1,1,0,0,0,0|2,0,0]=4 10192 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,1,0,0,0,0|1,0,1]=4 10193 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,1,0,0,0,0|1,0,1]=4 10194 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [1,1,0,0,0,0|2,0,0]=4 10195 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [1,1,0,0,0,0|2,0,0]=4 10196 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [1,1,0,0,0,0|2,0,0]=4 10197 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [1,1,0,0,0,0|2,0,0]=4 10198 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [1,1,0,0,0,0|2,0,0]=4 10199 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [1,1,0,0,0,0|2,0,0]=4 10200 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [1,1,0,0,0,0|2,0,0]=4 10201 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [1,1,0,0,0,0|2,0,0]=4 10202 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [1,1,0,0,0,0|2,0,0]=4 10203 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [1,1,0,0,0,0|2,0,0]=4 10204 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [1,1,0,0,0,0|1,0,1]=4 10205 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [1,1,0,0,0,0|1,0,1]=4 10206 B11R0.46 CC(=O)OCC(C)NCCCF 270004a_100015189416_100000000629 [1,1,0,0,0,0|2,0,0]=4 10207 B11R0.46 CC(=O)OCC(C)NCCCO 270004a_100000182051_100000000629 [1,1,0,0,0,0|2,0,0]=4 10208 B11R0.46 CC(=O)OCC(O)CNCCF 34a_100000724931_200000139349 [1,1,0,0,0,0|2,0,0]=4 10209 B11R0.46 CC(=O)OCC(O)CNCCO 34a_100016990907_200000139349 [1,1,0,0,0,0|2,0,0]=4 10210 B11R0.46 CC(=O)OCC(O)COCCBr 34a_100000211926_200000139349 [1,1,0,0,0,0|2,0,0]=4 10211 B11R0.46 CC(=O)OCC(O)COCCN 34a_100000210304_200000139349 [1,1,0,0,0,0|2,0,0]=4 10212 B11R0.46 CC(=O)OCC(O)CSCCF 62a_100011217306_200000139349 [1,1,0,0,0,0|2,0,0]=4 10213 B11R0.46 CC(=O)OCC(O)CSCCF 62a_200000139349_100011217306 [1,1,0,0,0,0|2,0,0]=4 10214 B11R0.46 CC(=O)OCC(O)CSCCO 62a_100000211926_200000139349 [1,1,0,0,0,0|2,0,0]=4 10215 B11R0.46 CC(=O)OCC(O)CSCCO 62a_200000139349_100000211926 [1,1,0,0,0,0|2,0,0]=4 10216 B11R0.46 CC(=O)OCN(C)CCCCO 269982a_100000717598_100000076356 [1,1,0,0,0,0|2,0,0]=4 10217 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|1,0,1]=4 10218 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,1,0,0,0,0|1,0,1]=4 10219 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,1,0,0,0,0|0,0,1]=3 10220 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,1,0,0,0,0|0,1,1]=4 10221 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|0,0,0]=2 10222 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|0,0,0]=2 10223 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [1,1,0,0,0,0|2,0,0]=4 10224 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [1,1,0,0,0,0|2,0,0]=4 10225 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|2,0,0]=4 10226 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,1,0,0,0,0|1,0,0]=3 10227 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 10228 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 10229 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,1,0,0,0,0|2,0,0]=4 10230 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [1,1,0,0,0,0|2,0,0]=4 10231 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [1,1,0,0,0,0|2,0,0]=4 10232 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [1,1,0,0,0,0|2,0,0]=4 10233 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [1,1,0,0,0,0|2,0,0]=4 10234 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,1,0,0,0,0|1,0,0]=3 10235 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,1,0,0,0,0|1,0,0]=3 10236 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 10237 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,1,0,0,0,0|2,0,0]=4 10238 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 10239 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,1,0,0,0,0|1,0,0]=3 10240 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [1,1,0,0,0,0|1,0,0]=3 10241 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [1,1,0,0,0,0|1,0,1]=4 10242 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [1,1,0,0,0,0|1,0,1]=4 10243 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [1,1,0,0,0,0|1,0,1]=4 10244 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [1,1,0,0,0,0|1,0,0]=3 10245 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [1,1,0,0,0,0|1,0,1]=4 10246 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [1,1,0,0,0,0|1,1,0]=4 10247 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [1,1,0,0,0,0|1,0,0]=3 10248 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [1,1,0,0,0,0|1,0,1]=4 10249 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [1,1,0,0,0,0|1,0,1]=4 10250 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [1,1,0,0,0,0|1,1,0]=4 10251 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [1,1,0,0,0,0|1,1,0]=4 10252 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [1,1,0,0,0,0|1,0,0]=3 10253 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [1,1,0,0,0,0|1,0,0]=3 10254 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [1,1,0,0,0,0|1,0,1]=4 10255 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [1,1,0,0,0,0|1,0,1]=4 10256 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [1,1,0,0,0,0|1,0,1]=4 10257 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [1,1,0,0,0,0|2,0,0]=4 10258 B11R0.46 COCCCN(C)COC(=O)C 269982a_100000224831_100000076356 [1,1,0,0,0,0|2,0,0]=4 10259 B11R0.46 COCCNC(C)COC(=O)C 270004a_100000209980_100000000629 [1,1,0,0,0,0|2,0,0]=4 10260 B11R0.46 COCSCC(O)COC(=O)C 62a_100000766300_200000139349 [1,1,0,0,0,0|2,0,0]=4 10261 B11R0.46 COCSCC(O)COC(=O)C 62a_200000139349_100000766300 [1,1,0,0,0,0|2,0,0]=4 10262 B11R0.46 CSCCNC(C)COC(=O)C 270004a_100020590264_100000000629 [1,1,0,0,0,0|2,0,0]=4 10263 B11R0.46 CSCSCC(O)COC(=O)C 62a_100011218213_200000139349 [1,1,0,0,0,0|2,0,0]=4 10264 B11R0.46 CSCSCC(O)COC(=O)C 62a_200000139349_100011218213 [1,1,0,0,0,0|2,0,0]=4 10265 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [1,1,0,0,0,0|0,0,2]=4 10266 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [1,1,0,0,0,0|2,0,0]=4 10267 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [1,1,0,0,0,0|2,0,0]=4 10268 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [1,1,0,0,0,0|2,0,0]=4 10269 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [1,1,0,0,0,0|2,0,0]=4 10270 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [1,1,0,0,0,0|2,0,0]=4 10271 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [1,1,0,0,0,0|2,0,0]=4 10272 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [1,1,0,0,0,0|2,0,0]=4 10273 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [1,1,0,0,0,0|2,0,0]=4 10274 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [1,1,0,0,0,0|2,0,0]=4 10275 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [1,1,0,0,0,0|2,0,0]=4 10276 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [1,1,0,0,0,0|2,0,0]=4 10277 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [1,1,0,0,0,0|2,0,0]=4 10278 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [1,1,0,0,0,0|2,0,0]=4 10279 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [1,1,0,0,0,0|2,0,0]=4 10280 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [1,1,0,0,0,0|2,0,0]=4 10281 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [1,1,0,0,0,0|2,0,0]=4 10282 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [1,1,0,0,0,0|2,0,0]=4 10283 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [1,1,0,0,0,0|2,0,0]=4 10284 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [1,1,0,0,0,0|2,0,0]=4 10285 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [1,1,0,0,0,0|2,0,0]=4 10286 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [1,1,0,0,0,0|2,0,0]=4 10287 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [1,1,0,0,0,0|2,0,0]=4 10288 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [1,1,0,0,0,0|2,0,0]=4 10289 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [1,1,0,0,0,0|2,0,0]=4 10290 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [1,1,0,0,0,0|2,0,0]=4 10291 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [1,1,0,0,0,0|2,0,0]=4 10292 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [1,1,0,0,0,0|2,0,0]=4 10293 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [1,1,0,0,0,0|2,0,0]=4 10294 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [1,1,0,0,0,0|2,0,0]=4 10295 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [1,1,0,0,0,0|2,0,0]=4 10296 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [1,1,0,0,0,0|1,0,1]=4 10297 B11R0.111 CC(=O)OCCCOC(C)CF 34a_100016041109_100000042594 [1,1,0,0,0,0|2,0,0]=4 10298 B11R0.111 CC(=O)OCCCOC(C)CF 7a_100016041109_100000042594 [1,1,0,0,0,0|2,0,0]=4 10299 B11R0.111 CC(=O)OCCCOC(C)CN 34a_100000210904_100000042594 [1,1,0,0,0,0|2,0,0]=4 10300 B11R0.111 CC(=O)OCCCSC(C)CO 62a_100012180447_100000042594 [1,1,0,0,0,0|2,0,0]=4 10301 B11R0.111 CC(=O)OCCCS[C@H](C)CO 62a_100000042594_100016084084 [1,1,0,0,0,0|2,0,0]=4 10302 B11R0.111 CC(=O)OCCCS[C@H](C)CO 62a_100016084084_100000042594 [1,1,0,0,0,0|2,0,0]=4 10303 B11R0.111 CC(=O)OCCNCC(C)CO 34a_100000744482_100009814007 [1,1,0,0,0,0|2,0,0]=4 10304 B11R0.111 CC(=O)OCCNC[C@@H](F)CO 34a_100015665980_100009814007 [1,1,0,0,0,0|2,0,0]=4 10305 B11R0.111 CC(=O)OCCOCC(C)CN 34a_100000744482_100009814007 [1,1,0,0,0,0|2,0,0]=4 10306 B11R0.111 CC(=O)OCCOCC(Cl)CCl 34a_100000033668_100009814007 [1,1,0,0,0,0|2,0,0]=4 10307 B11R0.111 CC(=O)OCCOC[C@H](F)CN 34a_100015665980_100009814007 [1,1,0,0,0,0|2,0,0]=4 10308 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100009814007_100011219619 [1,1,0,0,0,0|2,0,0]=4 10309 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100011219619_100009814007 [1,1,0,0,0,0|2,0,0]=4 10310 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100000059175_100009814007 [1,1,0,0,0,0|2,0,0]=4 10311 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100009814007_100000059175 [1,1,0,0,0,0|2,0,0]=4 10312 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100009814007_100015614560 [1,1,0,0,0,0|2,0,0]=4 10313 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100015614560_100009814007 [1,1,0,0,0,0|2,0,0]=4 10314 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009814007_100009815848 [1,1,0,0,0,0|2,0,0]=4 10315 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009815848_100009814007 [1,1,0,0,0,0|2,0,0]=4 10316 B11R0.111 CC(=O)OCNCCC(C)CO 34a_106354213184_100009813279 [1,1,0,0,0,0|2,0,0]=4 10317 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,1,0,0,0,0|1,0,1]=4 10318 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [1,1,0,0,0,0|0,0,1]=3 10319 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [1,1,0,0,0,0|0,1,1]=4 10320 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [1,1,0,0,0,0|1,0,1]=4 10321 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [1,1,0,0,0,0|1,0,1]=4 10322 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [1,1,0,0,0,0|1,0,1]=4 10323 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [1,1,0,0,0,0|1,0,1]=4 10324 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [1,1,0,0,0,0|1,0,1]=4 10325 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [1,1,0,0,0,0|1,0,1]=4 10326 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [1,1,0,0,0,0|1,0,1]=4 10327 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [1,1,0,0,0,0|2,0,0]=4 10328 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [1,1,0,0,0,0|2,0,0]=4 10329 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|1,0,0]=3 10330 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,1,0,0,0,0|2,0,0]=4 10331 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [1,1,0,0,0,0|2,0,0]=4 10332 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [1,1,0,0,0,0|2,0,0]=4 10333 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [1,1,0,0,0,0|2,0,0]=4 10334 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [1,1,0,0,0,0|2,0,0]=4 10335 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [1,1,0,0,0,0|2,0,0]=4 10336 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [1,1,0,0,0,0|1,0,0]=3 10337 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [1,1,0,0,0,0|1,0,0]=3 10338 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [1,1,0,0,0,0|2,0,0]=4 10339 B11R0.111 CCC(C)COCCOC(=O)N 7a_100000766696_100000748023 [1,1,0,0,0,0|2,0,0]=4 10340 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [1,1,0,0,0,0|1,0,0]=3 10341 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [1,1,0,0,0,0|1,0,0]=3 10342 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [1,1,0,0,0,0|2,0,0]=4 10343 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [1,1,0,0,0,0|2,0,0]=4 10344 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [1,1,0,0,0,0|2,0,0]=4 10345 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [1,1,0,0,0,0|2,0,0]=4 10346 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [1,1,0,0,0,0|1,0,0]=3 10347 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [1,1,0,0,0,0|1,0,0]=3 10348 B11R0.111 CCC(C)CSCCOC(=O)N 62a_100000748023_200011214921 [1,1,0,0,0,0|2,0,0]=4 10349 B11R0.111 CCC(C)CSCCOC(=O)N 62a_200011214921_100000748023 [1,1,0,0,0,0|2,0,0]=4 10350 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [1,1,0,0,0,0|2,0,0]=4 10351 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [1,1,0,0,0,0|2,0,0]=4 10352 B11R0.111 CCC(C)NCCCOC(=S)C 2230a_100000209981_200135323944 [1,1,0,0,0,0|1,1,0]=4 10353 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [1,1,0,0,0,0|1,1,0]=4 10354 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [1,1,0,0,0,0|1,0,0]=3 10355 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [1,1,0,0,0,0|2,0,0]=4 10356 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [1,1,0,0,0,0|2,0,0]=4 10357 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [1,1,0,0,0,0|2,0,0]=4 10358 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [1,1,0,0,0,0|1,0,0]=3 10359 B11R0.111 CCC(C)OCCCOC(=S)C 7a_100000210228_200135323944 [1,1,0,0,0,0|1,1,0]=4 10360 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [1,1,0,0,0,0|1,1,0]=4 10361 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [1,1,0,0,0,0|1,0,0]=3 10362 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [1,1,0,0,0,0|1,0,0]=3 10363 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [1,1,0,0,0,0|1,0,0]=3 10364 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [1,1,0,0,0,0|1,0,0]=3 10365 B11R0.111 CCC(C)SCCCOC(=S)C 62a_100000758301_200135323944 [1,1,0,0,0,0|1,1,0]=4 10366 B11R0.111 CCC(C)SCCCOC(=S)C 62a_200135323944_100000758301 [1,1,0,0,0,0|1,1,0]=4 10367 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [1,1,0,0,0,0|1,1,0]=4 10368 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [1,1,0,0,0,0|1,1,0]=4 10369 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [1,1,0,0,0,0|2,0,0]=4 10370 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [1,1,0,0,0,0|2,0,0]=4 10371 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [1,1,0,0,0,0|2,0,0]=4 10372 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [1,1,0,0,0,0|2,0,0]=4 10373 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [1,1,0,0,0,0|1,0,0]=3 10374 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [1,1,0,0,0,0|1,0,0]=3 10375 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [1,1,0,0,0,0|2,0,0]=4 10376 B11R0.111 CCC(O)COCCOC(=O)N 7a_100000766696_100011218378 [1,1,0,0,0,0|2,0,0]=4 10377 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [1,1,0,0,0,0|1,0,0]=3 10378 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [1,1,0,0,0,0|1,0,0]=3 10379 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [1,1,0,0,0,0|2,0,0]=4 10380 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [1,1,0,0,0,0|2,0,0]=4 10381 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [1,1,0,0,0,0|2,0,0]=4 10382 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [1,1,0,0,0,0|2,0,0]=4 10383 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [1,1,0,0,0,0|1,0,0]=3 10384 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [1,1,0,0,0,0|1,0,0]=3 10385 B11R0.111 CCC(O)CSCCOC(=O)N 62a_100011218378_200011214921 [1,1,0,0,0,0|2,0,0]=4 10386 B11R0.111 CCC(O)CSCCOC(=O)N 62a_200011214921_100011218378 [1,1,0,0,0,0|2,0,0]=4 10387 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 10388 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 10389 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [1,1,0,0,0,0|1,0,0]=3 10390 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [1,1,0,0,0,0|1,1,0]=4 10391 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [1,1,0,0,0,0|1,1,0]=4 10392 B11R0.111 CCN(C)COCCOC(=O)C 269982a_100000225621_100000076355 [1,1,0,0,0,0|2,0,0]=4 10393 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [1,1,0,0,0,0|2,0,0]=4 10394 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [1,1,0,0,0,0|2,0,0]=4 10395 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [1,1,0,0,0,0|2,0,0]=4 10396 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [1,1,0,0,0,0|1,0,0]=3 10397 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [1,1,0,0,0,0|1,0,0]=3 10398 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [1,1,0,0,0,0|1,0,0]=3 10399 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [1,1,0,0,0,0|2,0,0]=4 10400 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [1,1,0,0,0,0|2,0,0]=4 10401 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [1,1,0,0,0,0|2,0,0]=4 10402 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [1,1,0,0,0,0|1,0,0]=3 10403 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100000766696_100009816398 [1,1,0,0,0,0|2,0,0]=4 10404 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100009816381_200011214921 [1,1,0,0,0,0|2,0,0]=4 10405 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [1,1,0,0,0,0|1,0,0]=3 10406 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [1,1,0,0,0,0|1,0,0]=3 10407 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [1,1,0,0,0,0|2,0,0]=4 10408 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [1,1,0,0,0,0|2,0,0]=4 10409 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [1,1,0,0,0,0|2,0,0]=4 10410 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [1,1,0,0,0,0|2,0,0]=4 10411 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [1,1,0,0,0,0|1,0,0]=3 10412 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [1,1,0,0,0,0|1,0,0]=3 10413 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_100009816398_200011214921 [1,1,0,0,0,0|2,0,0]=4 10414 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_200011214921_100009816398 [1,1,0,0,0,0|2,0,0]=4 10415 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|1,0,1]=4 10416 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|1,0,1]=4 10417 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|1,0,1]=4 10418 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [1,1,0,0,0,0|2,0,0]=4 10419 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [1,1,0,0,0,0|2,0,0]=4 10420 B11R0.111 COC(C)COCCOC(=O)C 34a_100000690652_100009814007 [1,1,0,0,0,0|2,0,0]=4 10421 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [1,1,0,0,0,0|2,0,0]=4 10422 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [1,1,0,0,0,0|2,0,0]=4 10423 B11R0.111 COC(C)SCCCOC(=O)C 62a_100000042594_100009879195 [1,1,0,0,0,0|2,0,0]=4 10424 B11R0.111 COC(C)SCCCOC(=O)C 62a_100009879195_100000042594 [1,1,0,0,0,0|2,0,0]=4 10425 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [1,1,0,0,0,0|2,0,0]=4 10426 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [1,1,0,0,0,0|2,0,0]=4 10427 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [1,1,0,0,0,0|2,0,0]=4 10428 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [1,1,0,0,0,0|2,0,0]=4 10429 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [1,1,0,0,0,0|2,0,0]=4 10430 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [1,1,0,0,0,0|2,0,0]=4 10431 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [1,1,0,0,0,0|2,0,0]=4 10432 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [1,1,0,0,0,0|2,0,0]=4 10433 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [1,1,0,0,0,0|2,0,0]=4 10434 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [1,1,0,0,0,0|2,0,0]=4 10435 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [1,1,0,0,0,0|2,0,0]=4 10436 B11R0.147 CC(=O)OCCN(C)CCCO 269982a_100000213112_100009814007 [1,1,0,0,0,0|2,0,0]=4 10437 B11R0.147 CC(=O)OCOC(C)CCCCl 34a_200000718107_100009813279 [1,1,0,0,0,0|2,0,0]=4 10438 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|0,0,1]=3 10439 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,1,0,0,0,0|1,0,1]=4 10440 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [1,1,0,0,0,0|1,0,1]=4 10441 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [1,1,0,0,0,0|1,0,1]=4 10442 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [1,1,0,0,0,0|0,0,1]=3 10443 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [1,1,0,0,0,0|1,0,1]=4 10444 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [1,1,0,0,0,0|0,1,1]=4 10445 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 10446 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 10447 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [1,1,0,0,0,0|2,0,0]=4 10448 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [1,1,0,0,0,0|2,0,0]=4 10449 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,1,0,0,0,0|1,0,0]=3 10450 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,1,0,0,0,0|1,0,0]=3 10451 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,1,0,0,0,0|1,0,0]=3 10452 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [1,1,0,0,0,0|2,0,0]=4 10453 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 10454 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [1,1,0,0,0,0|2,0,0]=4 10455 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 10456 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [1,1,0,0,0,0|1,0,0]=3 10457 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,1,0,0,0,0|1,0,0]=3 10458 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,1,0,0,0,0|1,0,0]=3 10459 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [1,1,0,0,0,0|2,0,0]=4 10460 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [1,1,0,0,0,0|2,0,0]=4 10461 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [1,1,0,0,0,0|1,0,0]=3 10462 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [1,1,0,0,0,0|1,0,0]=3 10463 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,1,0,0,0,0|1,0,0]=3 10464 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [1,1,0,0,0,0|2,0,0]=4 10465 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|2,0,0]=4 10466 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [1,1,0,0,0,0|2,0,0]=4 10467 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [1,1,0,0,0,0|2,0,0]=4 10468 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [1,1,0,0,0,0|2,0,0]=4 10469 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [1,1,0,0,0,0|2,0,0]=4 10470 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [1,1,0,0,0,0|2,0,0]=4 10471 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [1,1,0,0,0,0|1,0,0]=3 10472 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [1,1,0,0,0,0|2,0,0]=4 10473 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [1,1,0,0,0,0|2,0,0]=4 10474 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [1,1,0,0,0,0|2,0,0]=4 10475 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [1,1,0,0,0,0|1,0,1]=4 10476 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [1,1,0,0,0,0|1,0,1]=4 10477 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [1,1,0,0,0,0|1,0,1]=4 10478 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [1,1,0,0,0,0|2,0,0]=4 10479 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [1,1,0,0,0,0|1,0,1]=4 10480 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [1,1,0,0,0,0|1,0,1]=4 10481 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [1,1,0,0,0,0|2,0,0]=4 10482 B11R0.147 CCOCC(C)OCOC(=O)C 34a_100000718985_100009813279 [1,1,0,0,0,0|2,0,0]=4 10483 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [1,1,0,0,0,0|1,0,1]=4 10484 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [1,1,0,0,0,0|1,0,1]=4 10485 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [1,1,0,0,0,0|1,0,1]=4 10486 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [1,1,0,0,0,0|1,0,1]=4 10487 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [1,1,0,0,0,0|2,0,0]=4 10488 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [1,1,0,0,0,0|2,0,0]=4 10489 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [1,1,0,0,0,0|1,0,1]=4 10490 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [1,1,0,0,0,0|1,0,1]=4 10491 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [1,1,0,0,0,0|2,0,0]=4 10492 B11R0.147 CSCCN(C)CCOC(=O)C 269982a_100000686725_100009814007 [1,1,0,0,0,0|2,0,0]=4 10493 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [1,1,0,0,0,0|2,0,0]=4 10494 B11R0.159 CCCCCCCOC(C)(C)C 34a_100000210272_100000210625 [1,1,0,0,0,0|1,0,1]=4 10495 B11R0.159 CCCCCCCOC(C)(C)C 34a_100015890283_100000210614 [1,1,0,0,0,0|1,0,1]=4 10496 B11R0.159 CCCCCCCOC(C)(C)C 7a_100015890283_100000210614 [1,1,0,0,0,0|1,0,1]=4 10497 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [1,1,0,0,0,0|2,0,0]=4 10498 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [1,1,0,0,0,0|2,0,0]=4 10499 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [1,1,0,0,0,0|2,0,0]=4 10500 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [1,1,0,0,0,0|2,0,0]=4 10501 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [1,1,0,0,0,0|2,0,0]=4 10502 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [1,1,0,0,0,0|2,0,0]=4 10503 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [1,1,0,0,0,0|2,0,0]=4 10504 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [1,1,0,0,0,0|2,0,0]=4 10505 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [1,1,0,0,0,0|2,0,0]=4 10506 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [1,1,0,0,0,0|2,0,0]=4 10507 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [1,1,0,0,0,0|2,0,0]=4 10508 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [1,1,0,0,0,0|2,0,0]=4 10509 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [1,1,0,0,0,0|2,0,0]=4 10510 B11R0.159 CCCCNCCOS(=O)(=O)C 2230a_100000102301_200000036756 [1,1,0,0,0,0|2,0,0]=4 10511 B11R0.159 CCCCNCCOS(=O)(=O)C 7a_106832991798_200000036756 [1,1,0,0,0,0|2,0,0]=4 10512 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [1,1,0,0,0,0|2,0,0]=4 10513 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [1,1,0,0,0,0|2,0,0]=4 10514 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [1,1,0,0,0,0|2,0,0]=4 10515 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [1,1,0,0,0,0|2,0,0]=4 10516 B11R0.159 CCCCOCCOS(=O)(=O)C 34a_100000210227_200000036756 [1,1,0,0,0,0|2,0,0]=4 10517 B11R0.159 CCCCOCCOS(=O)(=O)C 7a_100000210227_200000036756 [1,1,0,0,0,0|2,0,0]=4 10518 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [1,1,0,0,0,0|2,0,0]=4 10519 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [1,1,0,0,0,0|2,0,0]=4 10520 B11R0.159 CCCCSCCOS(=O)(=O)C 62a_100000210211_200000036756 [1,1,0,0,0,0|2,0,0]=4 10521 B11R0.159 CCCCSCCOS(=O)(=O)C 62a_200000036756_100000210210 [1,1,0,0,0,0|2,0,0]=4 10522 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [1,1,0,0,0,0|2,0,0]=4 10523 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [1,1,0,0,0,0|2,0,0]=4 10524 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [1,1,0,0,0,0|2,0,0]=4 10525 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [1,1,0,0,0,0|2,0,0]=4 10526 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [1,1,0,0,0,0|2,0,0]=4 10527 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [1,1,0,0,0,0|2,0,0]=4 10528 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [1,1,0,0,0,0|2,0,0]=4 10529 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [1,1,0,0,0,0|2,0,0]=4 10530 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [1,1,0,0,0,0|2,0,0]=4 10531 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [1,1,0,0,0,0|1,0,1]=4 10532 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [1,1,0,0,0,0|2,0,0]=4 10533 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [1,1,0,0,0,0|2,0,0]=4 10534 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [1,1,0,0,0,0|2,0,0]=4 10535 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [1,1,0,0,0,0|2,0,0]=4 10536 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [1,1,0,0,0,0|2,0,0]=4 10537 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [1,1,0,0,0,0|2,0,0]=4 10538 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [1,1,0,0,0,0|2,0,0]=4 10539 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [1,1,0,0,0,0|1,0,1]=4 10540 B11R0.176 CC(=O)OCCCN(C)CCO 269982a_100000210263_100000042594 [1,1,0,0,0,0|2,0,0]=4 10541 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [1,1,0,0,0,0|2,0,0]=4 10542 B11R0.176 CC(=O)OCCOC(C)CCBr 34a_100012276601_100009814007 [1,1,0,0,0,0|2,0,0]=4 10543 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [1,1,0,0,0,0|2,0,0]=4 10544 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [1,1,0,0,0,0|2,0,0]=4 10545 B11R0.176 CC(=O)OCOCC(C)CCN 34a_106354213184_100009813279 [1,1,0,0,0,0|2,0,0]=4 10546 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|0,0,1]=3 10547 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [1,1,0,0,0,0|1,0,1]=4 10548 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [1,1,0,0,0,0|0,0,1]=3 10549 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [1,1,0,0,0,0|0,1,1]=4 10550 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [1,1,0,0,0,0|0,1,1]=4 10551 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [1,1,0,0,0,0|1,0,1]=4 10552 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [1,1,0,0,0,0|1,0,1]=4 10553 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [1,1,0,0,0,0|1,0,1]=4 10554 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [1,1,0,0,0,0|1,0,1]=4 10555 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [1,1,0,0,0,0|1,0,1]=4 10556 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [1,1,0,0,0,0|1,0,1]=4 10557 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [1,1,0,0,0,0|1,0,1]=4 10558 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [1,1,0,0,0,0|1,0,1]=4 10559 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [1,1,0,0,0,0|1,0,1]=4 10560 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [1,1,0,0,0,0|1,0,1]=4 10561 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 10562 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 10563 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [1,1,0,0,0,0|2,0,0]=4 10564 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [1,1,0,0,0,0|1,0,0]=3 10565 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [1,1,0,0,0,0|1,0,0]=3 10566 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [1,1,0,0,0,0|1,0,0]=3 10567 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [1,1,0,0,0,0|2,0,0]=4 10568 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 10569 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [1,1,0,0,0,0|2,0,0]=4 10570 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 10571 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [1,1,0,0,0,0|1,0,0]=3 10572 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [1,1,0,0,0,0|1,0,0]=3 10573 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [1,1,0,0,0,0|1,0,0]=3 10574 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [1,1,0,0,0,0|2,0,0]=4 10575 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [1,1,0,0,0,0|2,0,0]=4 10576 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [1,1,0,0,0,0|1,0,0]=3 10577 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [1,1,0,0,0,0|1,0,0]=3 10578 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [1,1,0,0,0,0|2,0,0]=4 10579 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [1,1,0,0,0,0|2,0,0]=4 10580 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [1,1,0,0,0,0|2,0,0]=4 10581 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [1,1,0,0,0,0|2,0,0]=4 10582 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [1,1,0,0,0,0|2,0,0]=4 10583 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [1,1,0,0,0,0|1,0,0]=3 10584 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [1,1,0,0,0,0|1,0,0]=3 10585 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [1,1,0,0,0,0|1,0,0]=3 10586 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [1,1,0,0,0,0|1,0,0]=3 10587 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 10588 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 10589 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [1,1,0,0,0,0|2,0,0]=4 10590 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [1,1,0,0,0,0|2,0,0]=4 10591 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [1,1,0,0,0,0|1,0,0]=3 10592 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [1,1,0,0,0,0|1,0,0]=3 10593 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [1,1,0,0,0,0|2,0,0]=4 10594 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [1,1,0,0,0,0|2,0,0]=4 10595 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [1,1,0,0,0,0|2,0,0]=4 10596 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [1,1,0,0,0,0|1,0,0]=3 10597 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [1,1,0,0,0,0|1,0,0]=3 10598 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [1,1,0,0,0,0|2,0,0]=4 10599 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [1,1,0,0,0,0|2,0,0]=4 10600 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [1,1,0,0,0,0|2,0,0]=4 10601 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [1,1,0,0,0,0|2,0,0]=4 10602 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [1,1,0,0,0,0|1,0,0]=3 10603 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [1,1,0,0,0,0|1,0,0]=3 10604 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [1,1,0,0,0,0|2,0,0]=4 10605 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [1,1,0,0,0,0|2,0,0]=4 10606 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [1,1,0,0,0,0|1,0,0]=3 10607 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [1,1,0,0,0,0|1,0,0]=3 10608 B11R0.176 CCCN(C)CCCOC(=S)C 2230a_100000747261_200135323944 [1,1,0,0,0,0|1,1,0]=4 10609 B11R0.176 CCCN(C)CCCOC(=S)C 269982a_100000747261_200135323944 [1,1,0,0,0,0|1,1,0]=4 10610 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [1,1,0,0,0,0|1,1,0]=4 10611 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [1,1,0,0,0,0|1,1,0]=4 10612 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [1,1,0,0,0,0|2,0,0]=4 10613 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [1,1,0,0,0,0|2,0,0]=4 10614 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [1,1,0,0,0,0|2,0,0]=4 10615 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [1,1,0,0,0,0|1,0,0]=3 10616 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|1,0,1]=4 10617 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|1,0,1]=4 10618 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|1,0,1]=4 10619 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [1,1,0,0,0,0|1,0,1]=4 10620 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [1,1,0,0,0,0|1,0,1]=4 10621 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [1,1,0,0,0,0|2,0,0]=4 10622 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [1,1,0,0,0,0|2,0,0]=4 10623 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [1,1,0,0,0,0|2,0,0]=4 10624 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [1,1,0,0,0,0|2,0,0]=4 10625 B11R0.176 COCC(C)SCCOC(=O)C 62a_100000765312_100009814007 [1,1,0,0,0,0|2,0,0]=4 10626 B11R0.176 COCC(C)SCCOC(=O)C 62a_100009814007_100000765312 [1,1,0,0,0,0|2,0,0]=4 10627 B11R0.176 COCC(N)COCOC(=O)C 34a_100000724102_100009813279 [1,1,0,0,0,0|2,0,0]=4 10628 B11R0.176 COCC(O)CNCOC(=O)C 34a_100000756049_100009813279 [1,1,0,0,0,0|2,0,0]=4 10629 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [1,1,0,0,0,0|2,0,0]=4 10630 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [1,1,0,0,0,0|2,0,0]=4 10631 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [1,1,0,0,0,0|2,0,0]=4 10632 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [1,1,0,0,0,0|2,0,0]=4 10633 B11R0.176 COCC(O)CSCOC(=O)C 62a_100000076356_100011215053 [1,1,0,0,0,0|2,0,0]=4 10634 B11R0.176 COCC(O)CSCOC(=O)C 62a_100011215053_100000076356 [1,1,0,0,0,0|2,0,0]=4 10635 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [1,1,0,0,0,0|2,0,0]=4 10636 B11R0.176 COC[C@@H](C)OCCOC(=O)C 34a_100011934205_100009814007 [1,1,0,0,0,0|2,0,0]=4 10637 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [1,1,0,0,0,0|1,0,1]=4 10638 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [1,1,0,0,0,0|1,0,1]=4 10639 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,1,0,0,0,0|0,0,2]=4 10640 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,1,0,0,0,0|0,0,2]=4 10641 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,1,0,0,0,0|0,0,2]=4 10642 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,1,0,0,0,0|0,0,2]=4 10643 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,1,0,0,0,0|0,0,2]=4 10644 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,1,0,0,0,0|0,0,2]=4 10645 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,1,0,0,0,0|0,0,2]=4 10646 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,1,0,0,0,0|0,0,2]=4 10647 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|1,0,0]=3 10648 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [1,1,0,0,0,0|2,0,0]=4 10649 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [1,1,0,0,0,0|2,0,0]=4 10650 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [1,1,0,0,0,0|2,0,0]=4 10651 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [1,1,0,0,0,0|2,0,0]=4 10652 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [1,1,0,0,0,0|2,0,0]=4 10653 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [1,1,0,0,0,0|2,0,0]=4 10654 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [1,1,0,0,0,0|2,0,0]=4 10655 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [1,1,0,0,0,0|2,0,0]=4 10656 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [1,1,0,0,0,0|2,0,0]=4 10657 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [1,1,0,0,0,0|2,0,0]=4 10658 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [1,1,0,0,0,0|2,0,0]=4 10659 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,1,0,0,0,0|1,0,0]=3 10660 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,1,0,0,0,0|1,0,0]=3 10661 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,1,0,0,0,0|1,0,0]=3 10662 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [1,1,0,0,0,0|2,0,0]=4 10663 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [1,1,0,0,0,0|2,0,0]=4 10664 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [1,1,0,0,0,0|2,0,0]=4 10665 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [1,1,0,0,0,0|2,0,0]=4 10666 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [1,1,0,0,0,0|2,0,0]=4 10667 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [1,1,0,0,0,0|2,0,0]=4 10668 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [1,1,0,0,0,0|2,0,0]=4 10669 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [1,1,0,0,0,0|2,0,0]=4 10670 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [1,1,0,0,0,0|2,0,0]=4 10671 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [1,1,0,0,0,0|2,0,0]=4 10672 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [1,1,0,0,0,0|2,0,0]=4 10673 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [1,1,0,0,0,0|2,0,0]=4 10674 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [1,1,0,0,0,0|2,0,0]=4 10675 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,1,0,0,0,0|1,0,0]=3 10676 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,1,0,0,0,0|1,0,0]=3 10677 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [1,1,0,0,0,0|2,0,0]=4 10678 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [1,1,0,0,0,0|2,0,0]=4 10679 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [1,1,0,0,0,0|2,0,0]=4 10680 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [1,1,0,0,0,0|2,0,0]=4 10681 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [1,1,0,0,0,0|2,0,0]=4 10682 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [1,1,0,0,0,0|2,0,0]=4 10683 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,1,0,0,0,0|1,0,1]=4 10684 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,1,0,0,0,0|1,0,1]=4 10685 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,1,0,0,0,0|1,0,1]=4 10686 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,1,0,0,0,0|1,0,1]=4 10687 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,1,0,0,0,0|1,0,1]=4 10688 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,1,0,0,0,0|1,0,1]=4 10689 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,1,0,0,0,0|1,0,1]=4 10690 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,1,0,0,0,0|1,0,1]=4 10691 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,1,0,0,0,0|1,0,1]=4 10692 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,1,0,0,0,0|1,0,1]=4 10693 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,1,0,0,0,0|1,0,1]=4 10694 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,1,0,0,0,0|1,0,1]=4 10695 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,1,0,0,0,0|1,0,1]=4 10696 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,1,0,0,0,0|0,0,2]=4 10697 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,1,0,0,0,0|0,0,2]=4 10698 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,1,0,0,0,0|0,0,2]=4 10699 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,1,0,0,0,0|1,0,1]=4 10700 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,1,0,0,0,0|1,0,1]=4 10701 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,1,0,0,0,0|0,0,2]=4 10702 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,1,0,0,0,0|0,0,2]=4 10703 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,1,0,0,0,0|1,0,1]=4 10704 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,1,0,0,0,0|1,0,1]=4 10705 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,1,0,0,0,0|1,0,1]=4 10706 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,1,0,0,0,0|1,0,1]=4 10707 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,1,0,0,0,0|1,0,1]=4 10708 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,1,0,0,0,0|1,0,1]=4 10709 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,1,0,0,0,0|1,0,1]=4 10710 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,1,0,0,0,0|1,0,1]=4 10711 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,1,0,0,0,0|1,0,1]=4 10712 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,1,0,0,0,0|1,0,1]=4 10713 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,1,0,0,0,0|1,0,1]=4 10714 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,1,0,0,0,0|1,0,1]=4 10715 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,1,0,0,0,0|1,0,1]=4 10716 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,1,0,0,0,0|1,0,1]=4 10717 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,1,0,0,0,0|1,0,1]=4 10718 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,1,0,0,0,0|1,0,1]=4 10719 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,1,0,0,0,0|1,0,1]=4 10720 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,1,0,0,0,0|1,0,1]=4 10721 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,1,0,0,0,0|1,0,1]=4 10722 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,1,0,0,0,0|1,0,1]=4 10723 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,1,0,0,0,0|1,0,1]=4 10724 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,1,0,0,0,0|1,0,1]=4 10725 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,1,0,0,0,0|1,0,1]=4 10726 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,1,0,0,0,0|1,0,1]=4 10727 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,1,0,0,0,0|1,0,1]=4 10728 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,1,0,0,0,0|1,0,1]=4 10729 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,1,0,0,0,0|1,0,1]=4 10730 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,1,0,0,0,0|1,0,1]=4 10731 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,1,0,0,0,0|1,0,1]=4 10732 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,1,0,0,0,0|1,0,1]=4 10733 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,1,0,0,0,0|1,0,1]=4 10734 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,1,0,0,0,0|1,0,1]=4 10735 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,1,0,0,0,0|1,0,1]=4 10736 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,1,0,0,0,0|1,0,1]=4 10737 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,1,0,0,0,0|1,0,1]=4 10738 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,1,0,0,0,0|1,0,1]=4 10739 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,1,0,0,0,0|1,0,1]=4 10740 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,1,0,0,0,0|1,0,1]=4 10741 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,1,0,0,0,0|1,0,1]=4 10742 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,1,0,0,0,0|1,0,1]=4 10743 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,1,0,0,0,0|1,0,1]=4 10744 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,1,0,0,0,0|1,0,1]=4 10745 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,1,0,0,0,0|1,0,1]=4 10746 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,1,0,0,0,0|0,0,1]=3 10747 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,1,0,0,0,0|0,0,1]=3 10748 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,1,0,0,0,0|0,0,1]=3 10749 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,1,0,0,0,0|1,0,1]=4 10750 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,1,0,0,0,0|1,0,1]=4 10751 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,1,0,0,0,0|1,0,1]=4 10752 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,1,0,0,0,0|1,0,1]=4 10753 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,1,0,0,0,0|1,0,1]=4 10754 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,1,0,0,0,0|1,0,1]=4 10755 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,1,0,0,0,0|1,0,1]=4 10756 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,1,0,0,0,0|1,0,1]=4 10757 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,1,0,0,0,0|1,0,1]=4 10758 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,1,0,0,0,0|1,0,1]=4 10759 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,1,0,0,0,0|1,0,1]=4 10760 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,1,0,0,0,0|1,0,1]=4 10761 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,1,0,0,0,0|0,1,1]=4 10762 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,1,0,0,0,0|0,1,1]=4 10763 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [1,1,0,0,0,0|0,0,1]=3 10764 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [1,1,0,0,0,0|0,0,1]=3 10765 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [1,1,0,0,0,0|1,0,1]=4 10766 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [1,1,0,0,0,0|1,0,1]=4 10767 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [1,1,0,0,0,0|1,0,1]=4 10768 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [1,1,0,0,0,0|1,0,1]=4 10769 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [1,1,0,0,0,0|1,0,1]=4 10770 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [1,1,0,0,0,0|1,0,1]=4 10771 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [1,1,0,0,0,0|1,0,1]=4 10772 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [1,1,0,0,0,0|1,0,1]=4 10773 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [1,1,0,0,0,0|0,0,1]=3 10774 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [1,1,0,0,0,0|0,0,1]=3 10775 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [1,1,0,0,0,0|1,0,1]=4 10776 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [1,1,0,0,0,0|1,0,1]=4 10777 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [1,1,0,0,0,0|1,0,1]=4 10778 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [1,1,0,0,0,0|1,0,1]=4 10779 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [1,1,0,0,0,0|1,0,1]=4 10780 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [1,1,0,0,0,0|1,0,1]=4 10781 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [1,1,0,0,0,0|1,0,1]=4 10782 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [1,1,0,0,0,0|1,0,1]=4 10783 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [1,1,0,0,0,0|1,0,1]=4 10784 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [1,1,0,0,0,0|1,0,1]=4 10785 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,1,0,0,0,0|0,0,1]=3 10786 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [1,1,0,0,0,0|1,0,1]=4 10787 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [1,1,0,0,0,0|1,0,1]=4 10788 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [1,1,0,0,0,0|1,0,1]=4 10789 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [1,1,0,0,0,0|1,0,1]=4 10790 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [1,1,0,0,0,0|1,0,1]=4 10791 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [1,1,0,0,0,0|1,0,1]=4 10792 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [1,1,0,0,0,0|1,0,1]=4 10793 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [1,1,0,0,0,0|1,0,1]=4 10794 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [1,1,0,0,0,0|1,0,1]=4 10795 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,1,0,0,0,0|0,0,1]=3 10796 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,1,0,0,0,0|0,0,1]=3 10797 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,1,0,0,0,0|0,0,1]=3 10798 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [1,1,0,0,0,0|1,0,1]=4 10799 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [1,1,0,0,0,0|1,0,1]=4 10800 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [1,1,0,0,0,0|1,0,1]=4 10801 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [1,1,0,0,0,0|1,0,1]=4 10802 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [1,1,0,0,0,0|1,0,1]=4 10803 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [1,1,0,0,0,0|1,0,1]=4 10804 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [1,1,0,0,0,0|1,0,1]=4 10805 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [1,1,0,0,0,0|1,0,1]=4 10806 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [1,1,0,0,0,0|1,0,1]=4 10807 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [1,1,0,0,0,0|1,0,1]=4 10808 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [1,1,0,0,0,0|1,0,1]=4 10809 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [1,1,0,0,0,0|1,0,1]=4 10810 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [1,1,0,0,0,0|1,0,1]=4 10811 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [1,1,0,0,0,0|1,0,1]=4 10812 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [1,1,0,0,0,0|1,0,1]=4 10813 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [1,1,0,0,0,0|1,0,1]=4 10814 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [1,1,0,0,0,0|1,0,1]=4 10815 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [1,1,0,0,0,0|1,0,1]=4 10816 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [1,1,0,0,0,0|1,0,1]=4 10817 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [1,1,0,0,0,0|1,0,1]=4 10818 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [1,1,0,0,0,0|1,0,1]=4 10819 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [1,1,0,0,0,0|1,0,1]=4 10820 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [1,1,0,0,0,0|1,0,1]=4 10821 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [1,1,0,0,0,0|1,0,1]=4 10822 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,1,0,0,0,0|0,0,1]=3 10823 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,1,0,0,0,0|0,0,1]=3 10824 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [1,1,0,0,0,0|1,0,1]=4 10825 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [1,1,0,0,0,0|1,0,1]=4 10826 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [1,1,0,0,0,0|1,0,1]=4 10827 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [1,1,0,0,0,0|1,0,1]=4 10828 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [1,1,0,0,0,0|1,0,1]=4 10829 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [1,1,0,0,0,0|1,0,1]=4 10830 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [1,1,0,0,0,0|1,0,1]=4 10831 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [1,1,0,0,0,0|1,0,1]=4 10832 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [1,1,0,0,0,0|1,0,1]=4 10833 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [1,1,0,0,0,0|1,0,1]=4 10834 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [1,1,0,0,0,0|1,0,1]=4 10835 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [1,1,0,0,0,0|1,0,1]=4 10836 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [1,1,0,0,0,0|1,0,1]=4 10837 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [1,1,0,0,0,0|1,0,1]=4 10838 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [1,1,0,0,0,0|1,0,1]=4 10839 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [1,1,0,0,0,0|1,0,1]=4 10840 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [1,1,0,0,0,0|1,0,1]=4 10841 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [1,1,0,0,0,0|1,0,1]=4 10842 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [1,1,0,0,0,0|1,0,1]=4 10843 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [1,1,0,0,0,0|1,0,1]=4 10844 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [1,1,0,0,0,0|1,0,1]=4 10845 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|2,0,0]=4 10846 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|2,0,0]=4 10847 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|2,0,0]=4 10848 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|0,0,2]=4 10849 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|0,0,2]=4 10850 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [1,1,0,0,0,0|0,0,2]=4 10851 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [1,1,0,0,0,0|0,0,2]=4 10852 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|2,0,0]=4 10853 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|2,0,0]=4 10854 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|2,0,0]=4 10855 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|2,0,0]=4 10856 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|2,0,0]=4 10857 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|2,0,0]=4 10858 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|2,0,0]=4 10859 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|2,0,0]=4 10860 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|2,0,0]=4 10861 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|2,0,0]=4 10862 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|2,0,0]=4 10863 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|2,0,0]=4 10864 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|2,0,0]=4 10865 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|2,0,0]=4 10866 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|2,0,0]=4 10867 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,1,0,0,0,0|1,0,1]=4 10868 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,1,0,0,0,0|1,0,0]=3 10869 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [1,1,0,0,0,0|2,0,0]=4 10870 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [1,1,0,0,0,0|2,0,0]=4 10871 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [1,1,0,0,0,0|2,0,0]=4 10872 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [1,1,0,0,0,0|2,0,0]=4 10873 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [1,1,0,0,0,0|2,0,0]=4 10874 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,1,0,0,0,0|1,0,0]=3 10875 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [1,1,0,0,0,0|2,0,0]=4 10876 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [1,1,0,0,0,0|2,0,0]=4 10877 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [1,1,0,0,0,0|2,0,0]=4 10878 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [1,1,0,0,0,0|2,0,0]=4 10879 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [1,1,0,0,0,0|2,0,0]=4 10880 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [1,1,0,0,0,0|2,0,0]=4 10881 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [1,1,0,0,0,0|2,0,0]=4 10882 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [1,1,0,0,0,0|2,0,0]=4 10883 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [1,1,0,0,0,0|2,0,0]=4 10884 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,1,0,0,0,0|1,0,0]=3 10885 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,1,0,0,0,0|1,0,0]=3 10886 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [1,1,0,0,0,0|2,0,0]=4 10887 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [1,1,0,0,0,0|2,0,0]=4 10888 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [1,1,0,0,0,0|2,0,0]=4 10889 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [1,1,0,0,0,0|2,0,0]=4 10890 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [1,1,0,0,0,0|2,0,0]=4 10891 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [1,1,0,0,0,0|2,0,0]=4 10892 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [1,1,0,0,0,0|2,0,0]=4 10893 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [1,1,0,0,0,0|2,0,0]=4 10894 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [1,1,0,0,0,0|2,0,0]=4 10895 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [1,1,0,0,0,0|2,0,0]=4 10896 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,1,0,0,0,0|1,0,0]=3 10897 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,1,0,0,0,0|1,0,0]=3 10898 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [1,1,0,0,0,0|2,0,0]=4 10899 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [1,1,0,0,0,0|2,0,0]=4 10900 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [1,1,0,0,0,0|2,0,0]=4 10901 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [1,1,0,0,0,0|2,0,0]=4 10902 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [1,1,0,0,0,0|2,0,0]=4 10903 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [1,1,0,0,0,0|2,0,0]=4 10904 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,1,0,0,0,0|0,0,2]=4 10905 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,1,0,0,0,0|0,0,2]=4 10906 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [1,1,0,0,0,0|0,0,2]=4 10907 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [1,1,0,0,0,0|0,0,2]=4 10908 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [1,1,0,0,0,0|0,0,2]=4 10909 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,1,0,0,0,0|0,0,2]=4 10910 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,1,0,0,0,0|0,0,2]=4 10911 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,1,0,0,0,0|0,0,2]=4 10912 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,1,0,0,0,0|0,0,2]=4 10913 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [1,1,0,0,0,0|0,0,2]=4 10914 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [1,1,0,0,0,0|0,0,2]=4 10915 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,1,0,0,0,0|0,0,2]=4 10916 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,1,0,0,0,0|0,0,2]=4 10917 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,1,0,0,0,0|0,0,2]=4 10918 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,1,0,0,0,0|0,0,2]=4 10919 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [1,1,0,0,0,0|0,0,2]=4 10920 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [1,1,0,0,0,0|0,0,2]=4 10921 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 10922 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 10923 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 10924 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,1,0,0,0,0|1,0,1]=4 10925 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 10926 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 10927 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 10928 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,1,0,0,0,0|1,0,1]=4 10929 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,1,0,0,0,0|1,0,1]=4 10930 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,1,0,0,0,0|1,0,1]=4 10931 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,1,0,0,0,0|1,0,1]=4 10932 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,1,0,0,0,0|1,0,1]=4 10933 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,1,0,0,0,0|1,0,1]=4 10934 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,1,0,0,0,0|1,0,1]=4 10935 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 10936 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,1,0,0,0,0|1,0,1]=4 10937 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 10938 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,1,0,0,0,0|2,0,0]=4 10939 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 10940 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,1,0,0,0,0|0,0,1]=3 10941 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 10942 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,1,0,0,0,0|1,0,1]=4 10943 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,1,0,0,0,0|1,0,1]=4 10944 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,1,0,0,0,0|0,1,1]=4 10945 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,1,0,0,0,0|2,0,0]=4 10946 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,1,0,0,0,0|1,0,0]=3 10947 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,1,0,0,0,0|1,0,0]=3 10948 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 10949 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 10950 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 10951 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 10952 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,1,0,0,0,0|1,0,1]=4 10953 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,1,0,0,0,0|1,0,1]=4 10954 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,1,0,0,0,0|1,0,1]=4 10955 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,1,0,0,0,0|1,0,1]=4 10956 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,1,0,0,0,0|1,0,1]=4 10957 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,1,0,0,0,0|1,0,1]=4 10958 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,1,0,0,0,0|1,0,1]=4 10959 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,1,0,0,0,0|1,0,1]=4 10960 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,1,0,0,0,0|0,0,2]=4 10961 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,0]=2 10962 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,0]=2 10963 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,1,0,0,0,0|0,0,1]=3 10964 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,1,0,0,0,0|0,0,1]=3 10965 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,1,0,0,0,0|0,0,1]=3 10966 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,1,0,0,0,0|0,0,1]=3 10967 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,1,0,0,0,0|0,0,1]=3 10968 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,1,0,0,0,0|0,0,1]=3 10969 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,1,0,0,0,0|0,0,1]=3 10970 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,1,0,0,0,0|0,0,1]=3 10971 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,1,0,0,0,0|0,0,1]=3 10972 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,1,0,0,0,0|0,0,1]=3 10973 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,1,0,0,0,0|0,1,0]=3 10974 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,1,0,0,0,0|0,1,0]=3 10975 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,1,0,0,0,0|0,1,1]=4 10976 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,1,0,0,0,0|0,1,1]=4 10977 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,1,0,0,0,0|0,1,1]=4 10978 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,1,0,0,0,0|0,1,1]=4 10979 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,1,0,0,0,0|0,1,1]=4 10980 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,1,0,0,0,0|0,1,1]=4 10981 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,1,0,0,0,0|0,1,1]=4 10982 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,1,0,0,0,0|0,1,1]=4 10983 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,1,0,0,0,0|0,1,1]=4 10984 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,1,0,0,0,0|0,1,1]=4 10985 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,1,0,0,0,0|1,0,1]=4 10986 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,1,0,0,0,0|1,0,1]=4 10987 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,1,0,0,0,0|1,0,1]=4 10988 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,1,0,0,0,0|2,0,0]=4 10989 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,1,0,0,0,0|2,0,0]=4 10990 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,1,0,0,0,0|2,0,0]=4 10991 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,1,0,0,0,0|2,0,0]=4 10992 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 10993 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,1,0,0,0,0|1,0,1]=4 10994 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 10995 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,1,0,0,0,0|1,0,1]=4 10996 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,1,0,0,0,0|2,0,0]=4 10997 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,1,0,0,0,0|2,0,0]=4 10998 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,1,0,0,0,0|2,0,0]=4 10999 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,1,0,0,0,0|2,0,0]=4 11000 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,1,0,0,0,0|2,0,0]=4 11001 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,1,0,0,0,0|2,0,0]=4 11002 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,1,0,0,0,0|2,0,0]=4 11003 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,1,0,0,0,0|1,0,1]=4 11004 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,1,0,0,0,0|1,0,1]=4 11005 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,1,0,0,0,0|2,0,0]=4 11006 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,1,0,0,0,0|2,0,0]=4 11007 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,1,0,0,0,0|2,0,0]=4 11008 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,1,0,0,0,0|2,0,0]=4 11009 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,1,0,0,0,0|0,0,1]=3 11010 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,1,0,0,0,0|0,0,1]=3 11011 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,1,0,0,0,0|1,0,0]=3 11012 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,1,0,0,0,0|1,0,1]=4 11013 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,1,0,0,0,0|1,0,1]=4 11014 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,1,0,0,0,0|2,0,0]=4 11015 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,1,0,0,0,0|2,0,0]=4 11016 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,1,0,0,0,0|2,0,0]=4 11017 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,1,0,0,0,0|0,0,1]=3 11018 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,1,0,0,0,0|0,0,1]=3 11019 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,1,0,0,0,0|0,0,1]=3 11020 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,1,0,0,0,0|0,1,1]=4 11021 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,1,0,0,0,0|0,1,1]=4 11022 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,1,0,0,0,0|1,0,0]=3 11023 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 11024 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,1,0,0,0,0|1,0,1]=4 11025 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 11026 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,1,0,0,0,0|1,0,1]=4 11027 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,1,0,0,0,0|2,0,0]=4 11028 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,1,0,0,0,0|2,0,0]=4 11029 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,1,0,0,0,0|2,0,0]=4 11030 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,1,0,0,0,0|2,0,0]=4 11031 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,1,0,0,0,0|2,0,0]=4 11032 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,1,0,0,0,0|2,0,0]=4 11033 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,1,0,0,0,0|0,0,1]=3 11034 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,1,0,0,0,0|0,0,1]=3 11035 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,1,0,0,0,0|0,0,1]=3 11036 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,1,0,0,0,0|0,0,1]=3 11037 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,1,0,0,0,0|0,0,1]=3 11038 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,1,0,0,0,0|0,0,1]=3 11039 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 11040 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 11041 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,1,0,0,0,0|0,1,1]=4 11042 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,1,0,0,0,0|0,1,1]=4 11043 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,1,0,0,0,0|0,1,1]=4 11044 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,1,0,0,0,0|0,1,1]=4 11045 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,1,0,0,0,0|1,0,0]=3 11046 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,1,0,0,0,0|1,0,0]=3 11047 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,1,0,0,0,0|1,0,1]=4 11048 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,1,0,0,0,0|1,0,1]=4 11049 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,1,0,0,0,0|2,0,0]=4 11050 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,1,0,0,0,0|2,0,0]=4 11051 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,1,0,0,0,0|0,0,1]=3 11052 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,1,0,0,0,0|0,0,1]=3 11053 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,1,0,0,0,0|0,1,1]=4 11054 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,1,0,0,0,0|0,1,1]=4 11055 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,1,0,0,0,0|1,0,0]=3 11056 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,1,0,0,0,0|2,0,0]=4 11057 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,1,0,0,0,0|0,0,1]=3 11058 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,1,0,0,0,0|0,0,1]=3 11059 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,1,0,0,0,0|0,0,1]=3 11060 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,1,0,0,0,0|1,0,0]=3 11061 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,1,0,0,0,0|1,0,1]=4 11062 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,1,0,0,0,0|1,0,1]=4 11063 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,1,0,0,0,0|1,0,1]=4 11064 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,1,0,0,0,0|1,0,1]=4 11065 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [1,1,0,0,0,0|1,0,1]=4 11066 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [1,1,0,0,0,0|1,0,1]=4 11067 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [1,1,0,0,0,0|1,0,1]=4 11068 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [1,1,0,0,0,0|1,0,1]=4 11069 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [1,1,0,0,0,0|1,0,1]=4 11070 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [1,1,0,0,0,0|1,0,1]=4 11071 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,1,0,0,0,0|1,0,0]=3 11072 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,1,0,0,0,0|2,0,0]=4 11073 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,1,0,0,0,0|2,0,0]=4 11074 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,1,0,0,0,0|2,0,0]=4 11075 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,1,0,0,0,0|2,0,0]=4 11076 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,1,0,0,0,0|2,0,0]=4 11077 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,1,0,0,0,0|0,0,1]=3 11078 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,1,0,0,0,0|0,0,1]=3 11079 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,1,0,0,0,0|0,0,1]=3 11080 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,1,0,0,0,0|0,0,1]=3 11081 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,1,0,0,0,0|0,1,1]=4 11082 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,1,0,0,0,0|0,1,1]=4 11083 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,1,0,0,0,0|1,0,0]=3 11084 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,1,0,0,0,0|1,0,0]=3 11085 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [1,1,0,0,0,0|1,0,1]=4 11086 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [1,1,0,0,0,0|1,0,1]=4 11087 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 11088 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,1,0,0,0,0|1,0,1]=4 11089 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 11090 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 11091 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,1,0,0,0,0|1,0,1]=4 11092 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 11093 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [1,1,0,0,0,0|1,0,1]=4 11094 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [1,1,0,0,0,0|1,0,1]=4 11095 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [1,1,0,0,0,0|1,0,1]=4 11096 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [1,1,0,0,0,0|1,0,1]=4 11097 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [1,1,0,0,0,0|1,0,1]=4 11098 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [1,1,0,0,0,0|1,0,1]=4 11099 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [1,1,0,0,0,0|1,0,1]=4 11100 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [1,1,0,0,0,0|1,0,1]=4 11101 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [1,1,0,0,0,0|1,0,1]=4 11102 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [1,1,0,0,0,0|1,0,1]=4 11103 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [1,1,0,0,0,0|1,0,1]=4 11104 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [1,1,0,0,0,0|1,0,1]=4 11105 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [1,1,0,0,0,0|1,0,1]=4 11106 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [1,1,0,0,0,0|1,0,1]=4 11107 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,1,0,0,0,0|1,0,0]=3 11108 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,1,0,0,0,0|1,0,0]=3 11109 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,1,0,0,0,0|2,0,0]=4 11110 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,1,0,0,0,0|2,0,0]=4 11111 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,1,0,0,0,0|0,0,1]=3 11112 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,1,0,0,0,0|0,0,1]=3 11113 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,1,0,0,0,0|1,0,1]=4 11114 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,1,0,0,0,0|1,0,1]=4 11115 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [1,1,0,0,0,0|1,0,1]=4 11116 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [1,1,0,0,0,0|1,0,1]=4 11117 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,1,0,0,0,0|1,0,0]=3 11118 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,1,0,0,0,0|1,0,0]=3 11119 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,1,0,0,0,0|2,0,0]=4 11120 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,1,0,0,0,0|2,0,0]=4 11121 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,1,0,0,0,0|0,0,1]=3 11122 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,1,0,0,0,0|1,0,1]=4 11123 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,1,0,0,0,0|1,0,1]=4 11124 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,1,0,0,0,0|1,0,1]=4 11125 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,1,0,0,0,0|1,0,0]=3 11126 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,1,0,0,0,0|2,0,0]=4 11127 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,1,0,0,0,0|0,0,1]=3 11128 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,1,0,0,0,0|0,0,1]=3 11129 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 11130 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 11131 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,1,0,0,0,0|2,0,0]=4 11132 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,1,0,0,0,0|2,0,0]=4 11133 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,1,0,0,0,0|1,0,0]=3 11134 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,1,0,0,0,0|1,0,0]=3 11135 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,1,0,0,0,0|1,0,1]=4 11136 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,1,0,0,0,0|1,0,1]=4 11137 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [1,1,0,0,0,0|1,0,1]=4 11138 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [1,1,0,0,0,0|1,0,1]=4 11139 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 11140 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 11141 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [1,1,0,0,0,0|1,0,1]=4 11142 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [1,1,0,0,0,0|1,0,1]=4 11143 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [1,1,0,0,0,0|1,0,1]=4 11144 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [1,1,0,0,0,0|1,0,1]=4 11145 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [1,1,0,0,0,0|1,0,1]=4 11146 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [1,1,0,0,0,0|1,0,1]=4 11147 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,1,0,0,0,0|2,0,0]=4 11148 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,1,0,0,0,0|2,0,0]=4 11149 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [1,1,0,0,0,0|1,0,1]=4 11150 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [1,1,0,0,0,0|1,0,1]=4 11151 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,1,0,0,0,0|1,0,0]=3 11152 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,1,0,0,0,0|1,0,0]=3 11153 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [1,1,0,0,0,0|1,0,1]=4 11154 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [1,1,0,0,0,0|1,0,1]=4 11155 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 11156 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 11157 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,1,0,0,0,0|1,0,1]=4 11158 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,1,0,0,0,0|1,0,1]=4 11159 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,1,0,0,0,0|1,0,1]=4 11160 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,1,0,0,0,0|1,0,1]=4 11161 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,1,0,0,0,0|1,0,1]=4 11162 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,1,0,0,0,0|2,0,0]=4 11163 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [1,1,0,0,0,0|1,0,1]=4 11164 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [1,1,0,0,0,0|1,0,1]=4 11165 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [1,1,0,0,0,0|1,0,1]=4 11166 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [1,1,0,0,0,0|1,0,1]=4 11167 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,1,0,0,0,0|2,0,0]=4 11168 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [1,1,0,0,0,0|1,0,1]=4 11169 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [1,1,0,0,0,0|1,0,1]=4 11170 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [1,1,0,0,0,0|1,0,1]=4 11171 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [1,1,0,0,0,0|1,0,1]=4 11172 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [1,1,0,0,0,0|1,0,1]=4 11173 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [1,1,0,0,0,0|1,0,1]=4 11174 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [1,1,0,0,0,0|1,0,1]=4 11175 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,1,0,0,0,0|2,0,0]=4 11176 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,1,0,0,0,0|2,0,0]=4 11177 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [1,1,0,0,0,0|1,0,1]=4 11178 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [1,1,0,0,0,0|1,0,1]=4 11179 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,1,0,0,0,0|2,0,0]=4 11180 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,1,0,0,0,0|2,0,0]=4 11181 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,1,0,0,0,0|2,0,0]=4 11182 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [1,1,0,0,0,0|1,0,1]=4 11183 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,1,0,0,0,0|2,0,0]=4 11184 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [1,1,0,0,0,0|1,0,1]=4 11185 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [1,1,0,0,0,0|1,0,1]=4 11186 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [1,1,0,0,0,0|1,0,1]=4 11187 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [1,1,0,0,0,0|1,0,1]=4 11188 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,1,0,0,0,0|1,0,1]=4 11189 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 11190 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 11191 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,1,0,0,0,0|0,0,1]=3 11192 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,1,0,0,0,0|0,0,1]=3 11193 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,1,0,0,0,0|0,0,1]=3 11194 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,1,0,0,0,0|0,0,1]=3 11195 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,1,0,0,0,0|0,0,1]=3 11196 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,1,0,0,0,0|0,0,1]=3 11197 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [1,1,0,0,0,0|1,0,1]=4 11198 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,1,0,0,0,0|2,0,0]=4 11199 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [1,1,0,0,0,0|1,0,1]=4 11200 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [1,1,0,0,0,0|1,0,1]=4 11201 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [1,1,0,0,0,0|1,0,1]=4 11202 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 11203 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [1,1,0,0,0,0|1,0,1]=4 11204 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 11205 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [1,1,0,0,0,0|1,0,1]=4 11206 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [1,1,0,0,0,0|1,0,1]=4 11207 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [1,1,0,0,0,0|1,0,1]=4 11208 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [1,1,0,0,0,0|1,0,1]=4 11209 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [1,1,0,0,0,0|1,0,1]=4 11210 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [1,1,0,0,0,0|1,0,1]=4 11211 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [1,1,0,0,0,0|1,0,1]=4 11212 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [1,1,0,0,0,0|1,0,1]=4 11213 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [1,1,0,0,0,0|1,0,1]=4 11214 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [1,1,0,0,0,0|1,0,1]=4 11215 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [1,1,0,0,0,0|1,0,1]=4 11216 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,1,0,0,0,0|2,0,0]=4 11217 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [1,1,0,0,0,0|1,0,1]=4 11218 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 11219 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 11220 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [1,1,0,0,0,0|1,0,1]=4 11221 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [1,1,0,0,0,0|1,0,1]=4 11222 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [1,1,0,0,0,0|1,0,1]=4 11223 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [1,1,0,0,0,0|1,0,1]=4 11224 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [1,1,0,0,0,0|1,0,1]=4 11225 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 11226 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,1,0,0,0,0|1,0,1]=4 11227 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,1,0,0,0,0|1,0,1]=4 11228 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [1,1,0,0,0,0|1,0,1]=4 11229 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,1,0,0,0,0|1,0,1]=4 11230 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 11231 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 11232 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 11233 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 11234 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [1,1,0,0,0,0|1,0,1]=4 11235 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [1,1,0,0,0,0|1,0,1]=4 11236 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [1,1,0,0,0,0|1,0,1]=4 11237 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [1,1,0,0,0,0|1,0,1]=4 11238 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [1,1,0,0,0,0|1,0,1]=4 11239 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [1,1,0,0,0,0|1,0,1]=4 11240 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [1,1,0,0,0,0|1,0,1]=4 11241 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [1,1,0,0,0,0|1,0,1]=4 11242 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [1,1,0,0,0,0|1,0,1]=4 11243 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [1,1,0,0,0,0|1,0,1]=4 11244 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,1,0,0,0,0|2,0,0]=4 11245 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,1,0,0,0,0|2,0,0]=4 11246 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [1,1,0,0,0,0|1,0,1]=4 11247 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [1,1,0,0,0,0|1,0,1]=4 11248 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 11249 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [1,1,0,0,0,0|1,0,1]=4 11250 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [1,1,0,0,0,0|1,0,1]=4 11251 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [1,1,0,0,0,0|1,0,1]=4 11252 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [1,1,0,0,0,0|1,0,1]=4 11253 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [1,1,0,0,0,0|1,0,1]=4 11254 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [1,1,0,0,0,0|1,0,1]=4 11255 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [1,1,0,0,0,0|1,0,1]=4 11256 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,1,0,0,0,0|2,0,0]=4 11257 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [1,1,0,0,0,0|1,0,1]=4 11258 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [1,1,0,0,0,0|1,0,1]=4 11259 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [1,1,0,0,0,0|1,0,1]=4 11260 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [1,1,0,0,0,0|1,0,1]=4 11261 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [1,1,0,0,0,0|1,0,1]=4 11262 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [1,1,0,0,0,0|1,0,1]=4 11263 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [1,1,0,0,0,0|1,0,1]=4 11264 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [1,1,0,0,0,0|1,0,1]=4 11265 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,1,0,0,0,0|2,0,0]=4 11266 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [1,1,0,0,0,0|1,0,1]=4 11267 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [1,1,0,0,0,0|1,0,1]=4 11268 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [1,1,0,0,0,0|1,0,1]=4 11269 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [1,1,0,0,0,0|1,0,1]=4 11270 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [1,1,0,0,0,0|1,0,1]=4 11271 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [1,1,0,0,0,0|1,0,1]=4 11272 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [1,1,0,0,0,0|1,0,1]=4 11273 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [1,1,0,0,0,0|1,0,1]=4 11274 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [1,1,0,0,0,0|1,0,1]=4 11275 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 11276 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 11277 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,1,0,0,0,0|1,0,1]=4 11278 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,1,0,0,0,0|1,0,1]=4 11279 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,1,0,0,0,0|1,0,1]=4 11280 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [1,1,0,0,0,0|1,0,1]=4 11281 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [1,1,0,0,0,0|1,0,1]=4 11282 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [1,1,0,0,0,0|1,0,1]=4 11283 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [1,1,0,0,0,0|1,0,1]=4 11284 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [1,1,0,0,0,0|2,0,0]=4 11285 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [1,1,0,0,0,0|2,0,0]=4 11286 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,1,0,0,0,0|2,0,0]=4 11287 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,1,0,0,0,0|2,0,0]=4 11288 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [1,1,0,0,0,0|1,0,1]=4 11289 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [1,1,0,0,0,0|1,0,1]=4 11290 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [1,1,0,0,0,0|1,0,1]=4 11291 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [1,1,0,0,0,0|1,0,1]=4 11292 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [1,1,0,0,0,0|1,0,1]=4 11293 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [1,1,0,0,0,0|1,0,1]=4 11294 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,1,0,0,0,0|2,0,0]=4 11295 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,1,0,0,0,0|2,0,0]=4 11296 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [1,1,0,0,0,0|1,0,1]=4 11297 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [1,1,0,0,0,0|1,0,1]=4 11298 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [1,1,0,0,0,0|1,0,1]=4 11299 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [1,1,0,0,0,0|1,0,1]=4 11300 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,1,0,0,0,0|0,1,1]=4 11301 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,1,0,0,0,0|0,1,1]=4 11302 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,1,0,0,0,0|2,0,0]=4 11303 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,1,0,0,0,0|2,0,0]=4 11304 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,1,0,0,0,0|2,0,0]=4 11305 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,1,0,0,0,0|2,0,0]=4 11306 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,1,0,0,0,0|2,0,0]=4 11307 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,1,0,0,0,0|2,0,0]=4 11308 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,1,0,0,0,0|2,0,0]=4 11309 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,1,0,0,0,0|2,0,0]=4 11310 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,1,0,0,0,0|2,0,0]=4 11311 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,1,0,0,0,0|2,0,0]=4 11312 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,1,0,0,0,0|2,0,0]=4 11313 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,1,0,0,0,0|2,0,0]=4 11314 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,1,0,0,0,0|2,0,0]=4 11315 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,1,0,0,0,0|2,0,0]=4 11316 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,1,0,0,0,0|2,0,0]=4 11317 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,1,0,0,0,0|2,0,0]=4 11318 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,1,0,0,0,0|1,0,0]=3 11319 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,1,0,0,0,0|1,0,0]=3 11320 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [1,1,0,0,0,0|1,0,1]=4 11321 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [1,1,0,0,0,0|1,0,1]=4 11322 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [1,1,0,0,0,0|1,0,1]=4 11323 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [1,1,0,0,0,0|1,0,1]=4 11324 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 11325 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 11326 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [1,1,0,0,0,0|1,0,1]=4 11327 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,1,0,0,0,0|1,1,0]=4 11328 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,1,0,0,0,0|1,1,0]=4 11329 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,1,0,0,0,0|2,0,0]=4 11330 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,1,0,0,0,0|2,0,0]=4 11331 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,1,0,0,0,0|2,0,0]=4 11332 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,1,0,0,0,0|2,0,0]=4 11333 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,1,0,0,0,0|2,0,0]=4 11334 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,1,0,0,0,0|2,0,0]=4 11335 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,1,0,0,0,0|2,0,0]=4 11336 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,1,0,0,0,0|2,0,0]=4 11337 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,1,0,0,0,0|2,0,0]=4 11338 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,1,0,0,0,0|2,0,0]=4 11339 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,1,0,0,0,0|2,0,0]=4 11340 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,1,0,0,0,0|2,0,0]=4 11341 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,1,0,0,0,0|2,0,0]=4 11342 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,1,0,0,0,0|2,0,0]=4 11343 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,1,0,0,0,0|2,0,0]=4 11344 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,1,0,0,0,0|2,0,0]=4 11345 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [1,1,0,0,0,0|1,0,1]=4 11346 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [1,1,0,0,0,0|1,0,1]=4 11347 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [1,1,0,0,0,0|1,0,1]=4 11348 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [1,1,0,0,0,0|1,0,1]=4 11349 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,1,0,0,0,0|1,0,1]=4 11350 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,1,0,0,0,0|1,0,1]=4 11351 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 11352 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 11353 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,1,0,0,0,0|1,0,1]=4 11354 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,1,0,0,0,0|1,0,0]=3 11355 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [1,1,0,0,0,0|1,0,1]=4 11356 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [1,1,0,0,0,0|1,0,1]=4 11357 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [1,1,0,0,0,0|2,0,0]=4 11358 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [1,1,0,0,0,0|1,0,1]=4 11359 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,1,0,0,0,0|2,0,0]=4 11360 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,1,0,0,0,0|2,0,0]=4 11361 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,1,0,0,0,0|2,0,0]=4 11362 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,1,0,0,0,0|2,0,0]=4 11363 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,1,0,0,0,0|2,0,0]=4 11364 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,1,0,0,0,0|2,0,0]=4 11365 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,1,0,0,0,0|2,0,0]=4 11366 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,1,0,0,0,0|2,0,0]=4 11367 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,1,0,0,0,0|2,0,0]=4 11368 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,1,0,0,0,0|2,0,0]=4 11369 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,1,0,0,0,0|2,0,0]=4 11370 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,1,0,0,0,0|2,0,0]=4 11371 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,1,0,0,0,0|2,0,0]=4 11372 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,1,0,0,0,0|2,0,0]=4 11373 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,1,0,0,0,0|2,0,0]=4 11374 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,1,0,0,0,0|2,0,0]=4 11375 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,1,0,0,0,0|2,0,0]=4 11376 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,1,0,0,0,0|2,0,0]=4 11377 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,1,0,0,0,0|2,0,0]=4 11378 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,1,0,0,0,0|2,0,0]=4 11379 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,1,0,0,0,0|2,0,0]=4 11380 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,1,0,0,0,0|2,0,0]=4 11381 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,1,0,0,0,0|1,0,0]=3 11382 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,1,0,0,0,0|1,0,0]=3 11383 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,1,0,0,0,0|1,1,0]=4 11384 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,1,0,0,0,0|1,1,0]=4 11385 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [1,1,0,0,0,0|1,0,1]=4 11386 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 11387 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 11388 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,1,0,0,0,0|2,0,0]=4 11389 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,1,0,0,0,0|2,0,0]=4 11390 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,1,0,0,0,0|2,0,0]=4 11391 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,1,0,0,0,0|2,0,0]=4 11392 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,1,0,0,0,0|2,0,0]=4 11393 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,1,0,0,0,0|2,0,0]=4 11394 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,1,0,0,0,0|2,0,0]=4 11395 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,1,0,0,0,0|2,0,0]=4 11396 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,1,0,0,0,0|2,0,0]=4 11397 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [1,1,0,0,0,0|2,0,0]=4 11398 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [1,1,0,0,0,0|2,0,0]=4 11399 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [1,1,0,0,0,0|2,0,0]=4 11400 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [1,1,0,0,0,0|2,0,0]=4 11401 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [1,1,0,0,0,0|2,0,0]=4 11402 B11R0.4 C=COCCCNC(C)CCC 2230a_100000210767_100000766640 [1,1,0,0,0,0|1,0,1]=4 11403 B11R0.4 C=COCCCNC(C)CCC 270004a_100000210767_100000211909 [1,1,0,0,0,0|1,0,1]=4 11404 B11R0.4 C=COCCCNC(C)CCC 34a_100000210767_100000766640 [1,1,0,0,0,0|1,0,1]=4 11405 B11R0.4 C=COCCOCC(C)CCC 34a_100000033082_100011216630 [1,1,0,0,0,0|1,0,1]=4 11406 B11R0.4 C=COCCOCC(C)CCC 34a_100000688023_100000039644 [1,1,0,0,0,0|1,0,1]=4 11407 B11R0.4 C=COCCOCC(C)CCC 7a_100000688023_100000039644 [1,1,0,0,0,0|1,0,1]=4 11408 B11R0.4 C=COCCOC[C@@H](N)CCC 34a_100000732646_100000039644 [1,1,0,0,0,0|1,0,1]=4 11409 B11R0.4 C=COCCSCC(C)CCC 62a_100000039644_100011216630 [1,1,0,0,0,0|1,0,1]=4 11410 B11R0.4 C=COCCSCC(C)CCC 62a_100011216630_100000039644 [1,1,0,0,0,0|1,0,1]=4 11411 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|1,0,1]=4 11412 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [1,1,0,0,0,0|2,0,0]=4 11413 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [1,1,0,0,0,0|2,0,0]=4 11414 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [1,1,0,0,0,0|2,0,0]=4 11415 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [1,1,0,0,0,0|2,0,0]=4 11416 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|2,0,0]=4 11417 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|2,0,0]=4 11418 B11R0.4 CCCC(C)CNCCOCC 2230a_102516460346_100011216630 [1,1,0,0,0,0|1,0,1]=4 11419 B11R0.4 CCCC(C)CNCCOCC 270004a_102516460346_100000243154 [1,1,0,0,0,0|1,0,1]=4 11420 B11R0.4 CCCC(C)CNCCOCC 34a_102516460346_100011216630 [1,1,0,0,0,0|1,0,1]=4 11421 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|2,0,0]=4 11422 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [1,1,0,0,0,0|1,0,1]=4 11423 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [1,1,0,0,0,0|1,0,1]=4 11424 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [1,1,0,0,0,0|1,0,1]=4 11425 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [1,1,0,0,0,0|1,0,1]=4 11426 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|2,0,0]=4 11427 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|2,0,0]=4 11428 B11R0.4 CCCC(C)CSCCOCC 62a_100000210147_100011216630 [1,1,0,0,0,0|1,0,1]=4 11429 B11R0.4 CCCC(C)CSCCOCC 62a_100011216630_100011215890 [1,1,0,0,0,0|1,0,1]=4 11430 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|2,0,0]=4 11431 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [1,1,0,0,0,0|1,0,1]=4 11432 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [1,1,0,0,0,0|1,0,1]=4 11433 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [1,1,0,0,0,0|1,0,1]=4 11434 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [1,1,0,0,0,0|1,0,1]=4 11435 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|2,0,0]=4 11436 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [1,1,0,0,0,0|1,0,1]=4 11437 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [1,1,0,0,0,0|1,0,1]=4 11438 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [1,1,0,0,0,0|1,0,1]=4 11439 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [1,1,0,0,0,0|1,0,1]=4 11440 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|2,0,0]=4 11441 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|2,0,0]=4 11442 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [1,1,0,0,0,0|1,0,1]=4 11443 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [1,1,0,0,0,0|1,0,1]=4 11444 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,1,0,0,0,0|1,0,1]=4 11445 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,1,0,0,0,0|1,0,1]=4 11446 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,1,0,0,0,0|0,0,1]=3 11447 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,1,0,0,0,0|0,0,1]=3 11448 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,1,0,0,0,0|0,0,1]=3 11449 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,1,0,0,0,0|1,0,1]=4 11450 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,1,0,0,0,0|1,0,1]=4 11451 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,1,0,0,0,0|0,1,1]=4 11452 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,1,0,0,0,0|0,1,1]=4 11453 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|2,0,0]=4 11454 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|2,0,0]=4 11455 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [1,1,0,0,0,0|2,0,0]=4 11456 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [1,1,0,0,0,0|2,0,0]=4 11457 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [1,1,0,0,0,0|1,0,1]=4 11458 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|1,0,1]=4 11459 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [1,1,0,0,0,0|2,0,0]=4 11460 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [1,1,0,0,0,0|2,0,0]=4 11461 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [1,1,0,0,0,0|2,0,0]=4 11462 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [1,1,0,0,0,0|2,0,0]=4 11463 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [1,1,0,0,0,0|2,0,0]=4 11464 B11R0.81 C=COCCNC(C)CCCC 2230a_100000126638_100000039644 [1,1,0,0,0,0|1,0,1]=4 11465 B11R0.81 C=COCCOC(C)CCCC 34a_100000033082_200011215066 [1,1,0,0,0,0|1,0,1]=4 11466 B11R0.81 C=COCCOC(C)CCCC 34a_100000687866_100000039644 [1,1,0,0,0,0|1,0,1]=4 11467 B11R0.81 C=COCCOC(C)CCCC 7a_100000687866_100000039644 [1,1,0,0,0,0|1,0,1]=4 11468 B11R0.81 C=COCCSC(C)CCCC 62a_100000039644_200011215066 [1,1,0,0,0,0|1,0,1]=4 11469 B11R0.81 C=COCCSC(C)CCCC 62a_200011215066_100000039644 [1,1,0,0,0,0|1,0,1]=4 11470 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|1,0,1]=4 11471 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|1,0,1]=4 11472 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [1,1,0,0,0,0|2,0,0]=4 11473 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [1,1,0,0,0,0|2,0,0]=4 11474 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [1,1,0,0,0,0|2,0,0]=4 11475 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [1,1,0,0,0,0|2,0,0]=4 11476 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,1,0,0,0,0|0,0,2]=4 11477 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|2,0,0]=4 11478 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|2,0,0]=4 11479 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|2,0,0]=4 11480 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|2,0,0]=4 11481 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|2,0,0]=4 11482 B11R0.81 CCCCC(C)NCCOCC 2230a_100000126638_100011215890 [1,1,0,0,0,0|1,0,1]=4 11483 B11R0.81 CCCCC(C)NCCOCC 2230a_102516460346_200011215066 [1,1,0,0,0,0|1,0,1]=4 11484 B11R0.81 CCCCC(C)NCCOCC 270004a_102516460346_100000210087 [1,1,0,0,0,0|1,0,1]=4 11485 B11R0.81 CCCCC(C)NCCOCC 34a_102516460346_200011215066 [1,1,0,0,0,0|1,0,1]=4 11486 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|2,0,0]=4 11487 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [1,1,0,0,0,0|1,0,1]=4 11488 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [1,1,0,0,0,0|1,0,1]=4 11489 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [1,1,0,0,0,0|1,0,1]=4 11490 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [1,1,0,0,0,0|1,0,1]=4 11491 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|2,0,0]=4 11492 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|2,0,0]=4 11493 B11R0.81 CCCCC(C)SCCOCC 62a_100000210147_200011215066 [1,1,0,0,0,0|1,0,1]=4 11494 B11R0.81 CCCCC(C)SCCOCC 62a_200011215066_100011215890 [1,1,0,0,0,0|1,0,1]=4 11495 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,1,0,0,0,0|0,0,2]=4 11496 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|2,0,0]=4 11497 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|2,0,0]=4 11498 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|2,0,0]=4 11499 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|2,0,0]=4 11500 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|2,0,0]=4 11501 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|2,0,0]=4 11502 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|2,0,0]=4 11503 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|2,0,0]=4 11504 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|2,0,0]=4 11505 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|2,0,0]=4 11506 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [1,1,0,0,0,0|1,0,1]=4 11507 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [1,1,0,0,0,0|1,0,1]=4 11508 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [1,1,0,0,0,0|1,0,1]=4 11509 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [1,1,0,0,0,0|2,0,0]=4 11510 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [1,1,0,0,0,0|2,0,0]=4 11511 B11R0.81 CCCCN(C)CCCOCC 2230a_100000207549_100012232248 [1,1,0,0,0,0|1,0,1]=4 11512 B11R0.81 CCCCN(C)CCCOCC 269982a_100000207549_100012232248 [1,1,0,0,0,0|1,0,1]=4 11513 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [1,1,0,0,0,0|1,0,1]=4 11514 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [1,1,0,0,0,0|1,0,1]=4 11515 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [1,1,0,0,0,0|2,0,0]=4 11516 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [1,1,0,0,0,0|2,0,0]=4 11517 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [1,1,0,0,0,0|2,0,0]=4 11518 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [1,1,0,0,0,0|2,0,0]=4 11519 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [1,1,0,0,0,0|2,0,0]=4 11520 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [1,1,0,0,0,0|0,0,2]=4 11521 B11R0.140 C=COCCN(C)CCCCC 2230a_100000223495_100000039644 [1,1,0,0,0,0|1,0,1]=4 11522 B11R0.140 C=COCCN(C)CCCCC 269982a_100000223495_100000039644 [1,1,0,0,0,0|1,0,1]=4 11523 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [1,1,0,0,0,0|2,0,0]=4 11524 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [1,1,0,0,0,0|2,0,0]=4 11525 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [1,1,0,0,0,0|2,0,0]=4 11526 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [1,1,0,0,0,0|2,0,0]=4 11527 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [1,1,0,0,0,0|2,0,0]=4 11528 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,1,0,0,0,0|0,0,2]=4 11529 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,1,0,0,0,0|0,0,2]=4 11530 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [1,1,0,0,0,0|1,0,1]=4 11531 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [1,1,0,0,0,0|1,0,1]=4 11532 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|2,0,0]=4 11533 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|2,0,0]=4 11534 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [1,1,0,0,0,0|1,0,1]=4 11535 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [1,1,0,0,0,0|1,0,1]=4 11536 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [1,1,0,0,0,0|1,0,1]=4 11537 B13R0.62 C=CC(CCCCCCC)OC(C)C 34a_200011934235_100000210206 [0,2,0,0,0,0|1,0,1]=4 11538 B13R0.62 C=CC(CCCCCCC)OC(C)C 7a_200011934235_100000210206 [0,2,0,0,0,0|1,0,1]=4 11539 B13R0.62 CCCCCCCC(CC)OC(C)C 34a_200011217053_100000210206 [0,2,0,0,0,0|1,0,1]=4 11540 B13R0.62 CCCCCCCC(CC)OC(C)C 7a_200011217053_100000210206 [0,2,0,0,0,0|1,0,1]=4 11541 B13R0.178 C=C(C)CN(C)CCCCOC(=O)C 269982a_100000225649_100000033659 [0,2,0,0,0,0|1,0,1]=4 11542 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 34a_100000211805_100009817362 [0,2,0,0,0,0|2,0,0]=4 11543 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 7a_100000211805_100000735457 [0,2,0,0,0,0|2,0,0]=4 11544 B13R0.178 CC(=O)CCCCSC(C)CC(C)C 62a_100000731052_100000735457 [0,2,0,0,0,0|2,0,0]=4 11545 B13R0.178 CC(=O)CCCCSC(C)CC(C)C 62a_100000735457_100000731052 [0,2,0,0,0,0|2,0,0]=4 11546 B13R0.178 CC(=O)CCCCSC(C)OC(=O)C 62a_100000735457_100009818208 [0,2,0,0,0,0|1,0,1]=4 11547 B13R0.178 CC(=O)CCCCSC(C)OC(=O)C 62a_100009818208_100000735457 [0,2,0,0,0,0|1,0,1]=4 11548 B13R0.178 CC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100000685027 [0,2,0,0,0,0|2,0,0]=4 11549 B13R0.178 CC(=O)NCCCNC(C)CC(C)C 34a_100000736810_100000731052 [0,2,0,0,0,0|2,0,0]=4 11550 B13R0.178 CC(=O)NCCCOC(C)CC(C)C 34a_100000752032_100000731052 [0,2,0,0,0,0|2,0,0]=4 11551 B13R0.178 CC(=O)OC(C)SCCCCC(C)C 62a_100009818208_100011216152 [0,2,0,0,0,0|1,0,0]=3 11552 B13R0.178 CC(=O)OC(C)SCCCCC(C)C 62a_100011216152_100009818208 [0,2,0,0,0,0|1,0,0]=3 11553 B13R0.178 CC(=O)OC(C)SCCCCN(C)C 62a_100009818208_100000690147 [0,2,0,0,0,0|2,0,0]=4 11554 B13R0.178 CC(=O)OCCCCC(=O)CC(C)C 1458a_100000210554_100000033659 [0,2,0,0,0,0|0,0,1]=3 11555 B13R0.178 CC(=O)OCCCCC(=O)CN(C)C 1458a_100000750896_100000033659 [0,2,0,0,0,0|1,0,1]=4 11556 B13R0.178 CC(=O)OCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000033659 [0,2,0,0,0,0|0,0,1]=3 11557 B13R0.178 CC(=O)OCCCCC(=O)C[S+](C)C 1458a_200159257847_100000033659 [0,2,0,0,0,0|1,0,1]=4 11558 B13R0.178 CC(=O)OCCCCN(C)CC(C)C 269982a_100000747067_100000033659 [0,2,0,0,0,0|1,0,0]=3 11559 B13R0.178 CC(=O)OCCCCN(C)CC(C)O 269982a_100000227577_100000033659 [0,2,0,0,0,0|1,0,0]=3 11560 B13R0.178 CC(=O)OCCCOC(C)CC(C)C 34a_100000211805_100000042594 [0,2,0,0,0,0|1,0,0]=3 11561 B13R0.178 CC(=O)OCCCOC(C)CC(C)C 7a_100000211805_100000042594 [0,2,0,0,0,0|1,0,0]=3 11562 B13R0.178 CC(=O)OCCCSC(C)CC(C)C 62a_100000042594_100000731052 [0,2,0,0,0,0|1,0,0]=3 11563 B13R0.178 CC(=O)OCCCSC(C)CC(C)C 62a_100000731052_100000042594 [0,2,0,0,0,0|1,0,0]=3 11564 B13R0.178 CC(=O)OCCCSC(C)CN(C)C 62a_100000042594_100020606517 [0,2,0,0,0,0|2,0,0]=4 11565 B13R0.178 CC(=O)OCCCSC(C)CN(C)C 62a_100020606517_100000042594 [0,2,0,0,0,0|2,0,0]=4 11566 B13R0.178 CC(=O)OCCOCN(C)CC(C)C 269982a_100000747067_100000076355 [0,2,0,0,0,0|2,0,0]=4 11567 B13R0.178 CC(=O)OCCOCN(C)CC(C)O 269982a_100000227577_100000076355 [0,2,0,0,0,0|2,0,0]=4 11568 B13R0.178 CC(=O)OCCOC[C@@H](N)CC(C)C 34a_100011830311_100009814007 [0,2,0,0,0,0|1,0,0]=3 11569 B13R0.178 CC(=O)OCCSCC(C)CN(C)C 62a_100009814007_100015348159 [0,2,0,0,0,0|2,0,0]=4 11570 B13R0.178 CC(=O)OCCSCC(C)CN(C)C 62a_100015348159_100009814007 [0,2,0,0,0,0|2,0,0]=4 11571 B13R0.178 CC(=O)OCOCC[C@@H](N)CC(C)C 34a_100161151251_100009813279 [0,2,0,0,0,0|1,0,0]=3 11572 B13R0.178 CC(=O)SCCCCC(=O)CC(C)C 1458a_100000210554_200010402107 [0,2,0,0,0,0|0,1,1]=4 11573 B13R0.178 CC(=O)SCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200010402107 [0,2,0,0,0,0|0,1,1]=4 11574 B13R0.178 CC(=O)SCCCCN(C)CC(C)C 2230a_100000747067_200010402107 [0,2,0,0,0,0|1,1,0]=4 11575 B13R0.178 CC(=O)SCCCCN(C)CC(C)C 269982a_100000747067_200010402107 [0,2,0,0,0,0|1,1,0]=4 11576 B13R0.178 CC(=O)SCCCCN(C)CC(C)O 2230a_100000227577_200010402107 [0,2,0,0,0,0|1,1,0]=4 11577 B13R0.178 CC(=O)SCCCCN(C)CC(C)O 269982a_100000227577_200010402107 [0,2,0,0,0,0|1,1,0]=4 11578 B13R0.178 CC(=O)SCCCNC(C)CC(C)C 2230a_100000692259_100000038929 [0,2,0,0,0,0|1,1,0]=4 11579 B13R0.178 CC(=O)SCCCOC(C)CC(C)C 34a_100000211805_100000038929 [0,2,0,0,0,0|1,1,0]=4 11580 B13R0.178 CC(=O)SCCCOC(C)CC(C)C 7a_100000211805_100000038929 [0,2,0,0,0,0|1,1,0]=4 11581 B13R0.178 CC(=O)SCCCSC(C)CC(C)C 62a_100000038929_100000731052 [0,2,0,0,0,0|1,1,0]=4 11582 B13R0.178 CC(=O)SCCCSC(C)CC(C)C 62a_100000731052_100000038929 [0,2,0,0,0,0|1,1,0]=4 11583 B13R0.178 CC(=S)OCCCNC(C)CC(C)C 2230a_100000692259_200135323944 [0,2,0,0,0,0|1,1,0]=4 11584 B13R0.178 CC(=S)OCCCOC(C)CC(C)C 34a_100000211805_200135323944 [0,2,0,0,0,0|1,1,0]=4 11585 B13R0.178 CC(=S)OCCCOC(C)CC(C)C 7a_100000211805_200135323944 [0,2,0,0,0,0|1,1,0]=4 11586 B13R0.178 CC(=S)OCCCSC(C)CC(C)C 62a_100000731052_200135323944 [0,2,0,0,0,0|1,1,0]=4 11587 B13R0.178 CC(=S)OCCCSC(C)CC(C)C 62a_200135323944_100000731052 [0,2,0,0,0,0|1,1,0]=4 11588 B13R0.178 CC(C)C[C@H](N)COCCOC(=O)N 34a_100011830311_200011214921 [0,2,0,0,0,0|2,0,0]=4 11589 B13R0.198 CCN(C)CCCSC(C)OC(=O)C 62a_100009818208_100015186262 [0,2,0,0,0,0|2,0,0]=4 11590 B13R0.274 C#CC(C)OC(C)CCCCCCC 34a_200011215852_200000035995 [0,2,0,0,0,0|1,0,1]=4 11591 B13R0.274 C#C[C@@H](C)OC(C)CCCCCCC 34a_100009815206_200011218727 [0,2,0,0,0,0|1,0,1]=4 11592 B13R0.274 C#C[C@@H](C)OC(C)CCCCCCC 7a_100009815206_200011218727 [0,2,0,0,0,0|1,0,1]=4 11593 B13R0.274 C=CC(C)OC(C)CCCCCCC 34a_100000695699_200011218727 [0,2,0,0,0,0|1,0,1]=4 11594 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|1,0,1]=4 11595 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|1,0,1]=4 11596 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|1,0,1]=4 11597 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|1,0,1]=4 11598 B13R0.274 CCCCCCCC(C)OC(C)C#N 34a_100011218135_200011218727 [0,2,0,0,0,0|1,0,1]=4 11599 B13R0.274 CCCCCCCC(C)OC(C)C#N 7a_200011215852_100000703298 [0,2,0,0,0,0|1,0,1]=4 11600 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [0,2,0,0,0,0|1,0,1]=4 11601 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [0,2,0,0,0,0|1,0,1]=4 11602 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [0,2,0,0,0,0|1,0,1]=4 11603 B13R0.274 CCCCCCCC(C)OC(C)CF 34a_100016041109_200011218727 [0,2,0,0,0,0|1,0,1]=4 11604 B13R0.274 CCCCCCCC(C)OC(C)CF 7a_100016041109_200011218727 [0,2,0,0,0,0|1,0,1]=4 11605 B13R0.274 CCCCCCCC(C)OC(C)CN 34a_100000210904_200011218727 [0,2,0,0,0,0|1,0,1]=4 11606 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,2,0,0,0,0|0,0,2]=4 11607 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,2,0,0,0,0|0,0,2]=4 11608 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,2,0,0,0,0|1,0,0]=3 11609 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,2,0,0,0,0|1,0,0]=3 11610 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,2,0,0,0,0|1,0,0]=3 11611 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,2,0,0,0,0|1,0,0]=3 11612 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,2,0,0,0,0|2,0,0]=4 11613 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,2,0,0,0,0|2,0,0]=4 11614 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,2,0,0,0,0|2,0,0]=4 11615 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,2,0,0,0,0|2,0,0]=4 11616 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,2,0,0,0,0|2,0,0]=4 11617 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,2,0,0,0,0|2,0,0]=4 11618 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,2,0,0,0,0|2,0,0]=4 11619 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,2,0,0,0,0|2,0,0]=4 11620 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,2,0,0,0,0|2,0,0]=4 11621 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,2,0,0,0,0|2,0,0]=4 11622 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,2,0,0,0,0|2,0,0]=4 11623 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,2,0,0,0,0|2,0,0]=4 11624 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,2,0,0,0,0|2,0,0]=4 11625 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,2,0,0,0,0|2,0,0]=4 11626 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,2,0,0,0,0|2,0,0]=4 11627 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,2,0,0,0,0|2,0,0]=4 11628 B13R0.286 CCCCCCCC(C)OC(C)(C)C 34a_100015890283_200011218727 [0,2,0,0,0,0|1,0,1]=4 11629 B13R0.286 CCCCCCCC(C)OC(C)(C)C 34a_200011215852_100000210625 [0,2,0,0,0,0|1,0,1]=4 11630 B13R0.286 CCCCCCCC(C)OC(C)(C)C 7a_100015890283_200011218727 [0,2,0,0,0,0|1,0,1]=4 11631 B13R0.333 CCCCCC(C)SC(C)OC(=O)C 62a_100009818208_200011218191 [0,2,0,0,0,0|1,0,0]=3 11632 B13R0.333 CCCCCC(C)SC(C)OC(=O)C 62a_200011218191_100009818208 [0,2,0,0,0,0|1,0,0]=3 11633 B13R0.335 C#CCCCCCSC(C)OC(=O)C 62a_100009818208_100012094781 [0,2,0,0,0,0|0,0,2]=4 11634 B13R0.335 C#CCCCCCSC(C)OC(=O)C 62a_100012094781_100009818208 [0,2,0,0,0,0|0,0,2]=4 11635 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|2,0,0]=4 11636 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 11637 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 11638 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 11639 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 11640 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100000700193_100009818208 [0,2,0,0,0,0|0,0,2]=4 11641 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100009818208_100000700193 [0,2,0,0,0,0|0,0,2]=4 11642 B13R0.335 CC(=O)OC(C)SCCCCCC#N 62a_100009813376_100009818208 [0,2,0,0,0,0|1,0,1]=4 11643 B13R0.335 CC(=O)OC(C)SCCCCCC#N 62a_100009818208_100009813376 [0,2,0,0,0,0|1,0,1]=4 11644 B13R0.335 CC(=O)OC(C)SCCCCCC=O 62a_100000139337_100009818208 [0,2,0,0,0,0|1,0,1]=4 11645 B13R0.335 CC(=O)OC(C)SCCCCCC=O 62a_100009818208_100000139337 [0,2,0,0,0,0|1,0,1]=4 11646 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100009818208_100015922095 [0,2,0,0,0,0|1,0,0]=3 11647 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100015922095_100009818208 [0,2,0,0,0,0|1,0,0]=3 11648 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100000766143_100009818208 [0,2,0,0,0,0|1,0,0]=3 11649 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100009818208_100000766143 [0,2,0,0,0,0|1,0,0]=3 11650 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,2,0,0,0,0|2,0,0]=4 11651 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,2,0,0,0,0|2,0,0]=4 11652 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,2,0,0,0,0|2,0,0]=4 11653 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,2,0,0,0,0|2,0,0]=4 11654 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,2,0,0,0,0|2,0,0]=4 11655 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,2,0,0,0,0|2,0,0]=4 11656 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 11657 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 11658 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [0,2,0,0,0,0|2,0,0]=4 11659 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [0,2,0,0,0,0|2,0,0]=4 11660 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [0,2,0,0,0,0|2,0,0]=4 11661 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|2,0,0]=4 11662 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [0,2,0,0,0,0|2,0,0]=4 11663 B13R0.335 CCCCCCCOC(C)C=C(C)C 34a_100000717055_100000210614 [0,2,0,0,0,0|2,0,0]=4 11664 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [0,2,0,0,0,0|0,0,0]=2 11665 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [0,2,0,0,0,0|0,0,0]=2 11666 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|2,0,0]=4 11667 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,2,0,0,0,0|1,0,1]=4 11668 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,2,0,0,0,0|1,0,1]=4 11669 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100000743108_100009818208 [0,2,0,0,0,0|1,0,0]=3 11670 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100009818208_100000743108 [0,2,0,0,0,0|1,0,0]=3 11671 B13R0.335 COCCOCCSC(C)OC(=O)C 62a_100000695917_100009818208 [0,2,0,0,0,0|2,0,0]=4 11672 B13R0.335 COCCOCCSC(C)OC(=O)C 62a_100009818208_100000695917 [0,2,0,0,0,0|2,0,0]=4 11673 B13R0.337 C=C(C)C(=O)C(C)CCCCCCC 1458a_100000185857_200011218727 [0,2,0,0,0,0|2,0,0]=4 11674 B13R0.337 CCCCCCCC(=O)C(C)C(=O)C 1458a_100000211969_100000179758 [0,2,0,0,0,0|1,0,1]=4 11675 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 2230a_100000228206_100009814033 [0,2,0,0,0,0|2,0,0]=4 11676 B13R0.337 CCCCCCCN(C)C(C)C(=O)C 269982a_100000228206_100009814033 [0,2,0,0,0,0|2,0,0]=4 11677 B13R0.438 CC(=O)OC(C)C(=O)CCCCCO 1458a_100102619762_100009818208 [0,2,0,0,0,0|1,0,1]=4 11678 B13R0.438 CC(=O)OC(C)N(C)CCCCCO 269982a_100000722520_100009818208 [0,2,0,0,0,0|2,0,0]=4 11679 B13R0.438 CC(=O)O[C@@H](C)C(=O)CCCCCF 1458a_100009816467_100000729378 [0,2,0,0,0,0|1,0,1]=4 11680 B13R0.438 CC(=O)O[C@@H](C)C(=O)CCCCCO 1458a_100009816467_100000746330 [0,2,0,0,0,0|1,0,1]=4 11681 B13R0.438 CCCCCCC(=O)C(C)OC(=O)C 1458a_100102632555_100009818208 [0,2,0,0,0,0|0,0,1]=3 11682 B13R0.438 CCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210757 [0,2,0,0,0,0|1,0,1]=4 11683 B13R0.438 CCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210757 [0,2,0,0,0,0|0,0,1]=3 11684 B13R0.438 CCCCCCN(C)C(C)OC(=O)C 269982a_106256046315_100009818208 [0,2,0,0,0,0|1,0,0]=3 11685 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 11a_100000209983_100009816467 [0,2,0,0,0,0|1,0,1]=4 11686 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000209983_100009816467 [0,2,0,0,0,0|1,0,1]=4 11687 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000209983_100009816467 [0,2,0,0,0,0|1,0,1]=4 11688 B13R0.438 CCCCCNC(=O)[C@H](C)OC(=O)C 527a_100000209983_100009816467 [0,2,0,0,0,0|1,0,1]=4 11689 B13R0.438 CCCCOCC(=O)C(C)OC(=O)C 1458a_100000757543_100009818208 [0,2,0,0,0,0|1,0,1]=4 11690 B13R0.438 CCCCOCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011995733 [0,2,0,0,0,0|1,0,1]=4 11691 B13R0.438 CCCCSCC(=O)C(C)OC(=O)C 1458a_100000191162_100009818208 [0,2,0,0,0,0|1,0,1]=4 11692 B13R0.438 CCCOCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011215938 [0,2,0,0,0,0|1,0,1]=4 11693 B13R0.438 CCOCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100012232248 [0,2,0,0,0,0|1,0,1]=4 11694 B13R0.438 COCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000755781 [0,2,0,0,0,0|1,0,1]=4 11695 B13R0.712 CCCCCCCC(C)(C)OC(C)C 34a_100000212225_200000046972 [0,2,0,0,0,0|1,0,1]=4 11696 B13R0.712 CCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210314 [0,2,0,0,0,0|2,0,0]=4 11697 B13R0.71 CC(=O)OCCCN(C)CC(O)CO 269982a_100011216503_100000042594 [0,2,0,0,0,0|2,0,0]=4 11698 B13R0.71 CCC(C)CC(=O)CCCCC(=O)C 1458a_100000708755_100000735457 [0,2,0,0,0,0|1,0,1]=4 11699 B13R0.71 CCC(C)CC(=O)CCCNC(=O)C 1458a_100000194741_100000748023 [0,2,0,0,0,0|1,0,1]=4 11700 B13R0.71 CCC(C)CC(=O)CCCOC(=O)C 1458a_100000708755_100000042594 [0,2,0,0,0,0|0,0,1]=3 11701 B13R0.71 CCC(C)CC(=O)CCCOC(=S)C 1458a_100000708755_200135323944 [0,2,0,0,0,0|0,1,1]=4 11702 B13R0.71 CCC(C)CC(=O)CCCSC(=O)C 1458a_100000708755_100000038929 [0,2,0,0,0,0|0,1,1]=4 11703 B13R0.71 CCC(C)CC(=O)NCCOC(=O)C 11a_100000724843_100000708755 [0,2,0,0,0,0|1,0,1]=4 11704 B13R0.71 CCC(C)CC(=O)NCCOC(=O)C 240690a_100000724843_100000708755 [0,2,0,0,0,0|1,0,1]=4 11705 B13R0.71 CCC(C)CC(=O)NCCOC(=O)C 527a_100000724843_100000708755 [0,2,0,0,0,0|1,0,1]=4 11706 B13R0.71 CCC(C)CC(C)NCCNC(=O)C 2230a_100000763565_100000189650 [0,2,0,0,0,0|2,0,0]=4 11707 B13R0.71 CCC(C)CN(C)CCCCC(=O)C 269982a_100000753921_100000735457 [0,2,0,0,0,0|2,0,0]=4 11708 B13R0.71 CCC(C)CN(C)CCCOC(=O)C 269982a_100000753921_100000042594 [0,2,0,0,0,0|1,0,0]=3 11709 B13R0.71 CCC(C)CN(C)CCCOC(=S)C 2230a_100000753921_200135323944 [0,2,0,0,0,0|1,1,0]=4 11710 B13R0.71 CCC(C)CN(C)CCCOC(=S)C 269982a_100000753921_200135323944 [0,2,0,0,0,0|1,1,0]=4 11711 B13R0.71 CCC(C)CN(C)CCCSC(=O)C 2230a_100000753921_100000038929 [0,2,0,0,0,0|1,1,0]=4 11712 B13R0.71 CCC(C)CN(C)CCCSC(=O)C 269982a_100000753921_100000038929 [0,2,0,0,0,0|1,1,0]=4 11713 B13R0.71 CCC(O)CC(=O)CCCCC(=O)C 1458a_100011667805_100000735457 [0,2,0,0,0,0|1,0,1]=4 11714 B13R0.71 CCC(O)CC(=O)CCCNC(=O)C 1458a_100000194741_100011218378 [0,2,0,0,0,0|1,0,1]=4 11715 B13R0.71 CCC(O)CC(=O)CCCOC(=O)C 1458a_100011667805_100000042594 [0,2,0,0,0,0|0,0,1]=3 11716 B13R0.71 CCC(O)CC(=O)CCCOC(=S)C 1458a_100011667805_200135323944 [0,2,0,0,0,0|0,1,1]=4 11717 B13R0.71 CCC(O)CC(=O)CCCSC(=O)C 1458a_100011667805_100000038929 [0,2,0,0,0,0|0,1,1]=4 11718 B13R0.71 CCC(O)CC(=O)NCCOC(=O)C 240690a_100000724843_100011667805 [0,2,0,0,0,0|1,0,1]=4 11719 B13R0.71 CCN(C)CC(=O)CCCOC(=O)C 1458a_100116209913_100000042594 [0,2,0,0,0,0|1,0,1]=4 11720 B13R0.71 CC[C@H](C)CC(=O)CCCNC(=O)C 1458a_100000194741_100009816398 [0,2,0,0,0,0|1,0,1]=4 11721 B13R0.113 C=CC(=O)OCCNC(C)CCCC 2230a_100000126638_100009813456 [0,2,0,0,0,0|1,0,1]=4 11722 B13R0.113 C=CC(=O)OCCOC(C)CCCC 34a_100000687866_100009813456 [0,2,0,0,0,0|1,0,1]=4 11723 B13R0.113 C=CC(=O)OCCOC(C)CCCC 7a_100000687866_100009813456 [0,2,0,0,0,0|1,0,1]=4 11724 B13R0.113 C=CC(=O)OCCSC(C)CCCC 62a_100009813456_200011215066 [0,2,0,0,0,0|1,0,1]=4 11725 B13R0.113 C=CC(=O)OCCSC(C)CCCC 62a_200011215066_100009813456 [0,2,0,0,0,0|1,0,1]=4 11726 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,2,0,0,0,0|1,0,1]=4 11727 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,2,0,0,0,0|1,0,1]=4 11728 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,2,0,0,0,0|1,0,1]=4 11729 B13R0.113 CCCCC(C)COCCC(=O)NC 34a_100011995851_100012179268 [0,2,0,0,0,0|2,0,0]=4 11730 B13R0.113 CCCCC(C)COCCC(=O)NC 7a_100011995851_100000737683 [0,2,0,0,0,0|2,0,0]=4 11731 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [0,2,0,0,0,0|2,0,0]=4 11732 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [0,2,0,0,0,0|2,0,0]=4 11733 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000126638_100000741757 [0,2,0,0,0,0|2,0,0]=4 11734 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011215066 [0,2,0,0,0,0|2,0,0]=4 11735 B13R0.113 CCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210087 [0,2,0,0,0,0|2,0,0]=4 11736 B13R0.113 CCCCC(C)NCCCC(=O)NC 34a_100000740002_200011215066 [0,2,0,0,0,0|2,0,0]=4 11737 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [0,2,0,0,0,0|2,0,0]=4 11738 B13R0.113 CCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210087 [0,2,0,0,0,0|2,0,0]=4 11739 B13R0.113 CCCCC(C)NCCNC(=O)CC 34a_100132302217_200011215066 [0,2,0,0,0,0|2,0,0]=4 11740 B13R0.113 CCCCC(C)NCCNC(=O)NC 34a_100015205895_200011215066 [0,2,0,0,0,0|2,0,0]=4 11741 B13R0.113 CCCCC(C)OCCCC(=O)NC 34a_100000687866_100000741757 [0,2,0,0,0,0|2,0,0]=4 11742 B13R0.113 CCCCC(C)OCCCC(=O)NC 7a_100000687866_100000741757 [0,2,0,0,0,0|2,0,0]=4 11743 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [0,2,0,0,0,0|2,0,0]=4 11744 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [0,2,0,0,0,0|2,0,0]=4 11745 B13R0.113 CCCCC(C)OCCNC(=O)CC 34a_200000158885_200011215066 [0,2,0,0,0,0|2,0,0]=4 11746 B13R0.113 CCCCC(C)OCCNC(=O)CC 7a_200000158885_200011215066 [0,2,0,0,0,0|2,0,0]=4 11747 B13R0.113 CCCCC(C)OCCNC(=O)OC 34a_100000757965_200011215066 [0,2,0,0,0,0|2,0,0]=4 11748 B13R0.113 CCCCC(C)OCCOC(=O)CC 7a_200000031056_200011215066 [0,2,0,0,0,0|1,0,0]=3 11749 B13R0.113 CCCCC(C)OCCOC(=O)NC 34a_100000687866_200011997002 [0,2,0,0,0,0|1,0,0]=3 11750 B13R0.113 CCCCC(C)OCCOC(=O)NC 7a_100000687866_200011997002 [0,2,0,0,0,0|1,0,0]=3 11751 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [0,2,0,0,0,0|1,0,0]=3 11752 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_100000741757_200011215066 [0,2,0,0,0,0|2,0,0]=4 11753 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_200011215066_100000741757 [0,2,0,0,0,0|2,0,0]=4 11754 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [0,2,0,0,0,0|2,0,0]=4 11755 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [0,2,0,0,0,0|2,0,0]=4 11756 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011215066_200011997002 [0,2,0,0,0,0|1,0,0]=3 11757 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011997002_200011215066 [0,2,0,0,0,0|1,0,0]=3 11758 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [0,2,0,0,0,0|2,0,0]=4 11759 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [0,2,0,0,0,0|2,0,0]=4 11760 B13R0.113 CCCC[C@H](N)COCCC(=O)NC 34a_100011934283_100012179268 [0,2,0,0,0,0|2,0,0]=4 11761 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|2,0,0]=4 11762 B13R0.113 CCOCC(C)OCCOC(=O)NC 34a_100000718985_200011997002 [0,2,0,0,0,0|2,0,0]=4 11763 B13R0.113 CCOCC(C)OCCOC(=O)NC 7a_100000718985_200011997002 [0,2,0,0,0,0|2,0,0]=4 11764 B13R0.113 CNC(=O)OCCOC(C)CCCCl 34a_200000718107_200011997002 [0,2,0,0,0,0|2,0,0]=4 11765 B13R0.113 CNC(=O)OCCOC(C)CCCCl 7a_200000718107_200011997002 [0,2,0,0,0,0|2,0,0]=4 11766 B13R0.117 CCCCC(C)COCC(=O)C(=O)C 34a_100011995851_100011261029 [0,2,0,0,0,0|2,0,0]=4 11767 B13R0.117 CCCC[C@H](N)COCC(=O)C(=O)C 34a_100011934283_100011261029 [0,2,0,0,0,0|2,0,0]=4 11768 B13R0.124 CCCCC(C)NCCOS(=O)(=O)C 2230a_100000126638_200000036756 [0,2,0,0,0,0|2,0,0]=4 11769 B13R0.124 CCCCC(C)OCCOS(=O)(=O)C 34a_100000687866_200000036756 [0,2,0,0,0,0|2,0,0]=4 11770 B13R0.124 CCCCC(C)OCCOS(=O)(=O)C 7a_100000687866_200000036756 [0,2,0,0,0,0|2,0,0]=4 11771 B13R0.124 CCCCC(C)SCCOS(=O)(=O)C 62a_200000036756_200011215066 [0,2,0,0,0,0|2,0,0]=4 11772 B13R0.124 CCCCC(C)SCCOS(=O)(=O)C 62a_200011215066_200000036756 [0,2,0,0,0,0|2,0,0]=4 11773 B13R0.172 CC(=O)OCC(O)CN(C)CCCO 269982a_100000213112_200000139349 [0,2,0,0,0,0|2,0,0]=4 11774 B13R0.172 CCCCC(=O)CC(C)CSC(=O)C 1458a_100000210183_200000116872 [0,2,0,0,0,0|0,1,1]=4 11775 B13R0.172 CCCCC(C)NC(=O)COC(=O)C 1626a_100000126638_100000183556 [0,2,0,0,0,0|1,0,1]=4 11776 B13R0.172 CCCCC(C)NC(=O)COC(=O)C 240690a_100000126638_100000183556 [0,2,0,0,0,0|1,0,1]=4 11777 B13R0.172 CCCCC(C)NC(=O)COC(=O)C 527a_100000126638_100000183556 [0,2,0,0,0,0|1,0,1]=4 11778 B13R0.172 CCCCC(C)NC(C)COC(=O)C 270004a_100000126638_100000000629 [0,2,0,0,0,0|1,0,0]=3 11779 B13R0.172 CCCCN(C)CC(=O)COC(=O)C 269982a_100000207549_100000036994 [0,2,0,0,0,0|1,0,1]=4 11780 B13R0.172 CCCCN(C)CC(C)CSC(=O)C 2230a_100000207549_200000116872 [0,2,0,0,0,0|1,1,0]=4 11781 B13R0.172 CCCCN(C)CC(C)CSC(=O)C 269982a_100000207549_200000116872 [0,2,0,0,0,0|1,1,0]=4 11782 B13R0.172 CCCCN(C)CC(O)COC(=O)C 269982a_100000207549_200000139349 [0,2,0,0,0,0|1,0,0]=3 11783 B13R0.172 COCCN(C)CC(O)COC(=O)C 269982a_100000743101_200000139349 [0,2,0,0,0,0|2,0,0]=4 11784 B13R0.172 CSCCN(C)CC(O)COC(=O)C 269982a_100000686725_200000139349 [0,2,0,0,0,0|2,0,0]=4 11785 B13R0.182 C=C(C)CCC(=O)CCCOC(=O)C 1458a_200000688413_100000042594 [0,2,0,0,0,0|0,0,2]=4 11786 B13R0.182 C=C(C)CCOCC(O)COC(=O)C 34a_100000764851_200000139349 [0,2,0,0,0,0|1,0,1]=4 11787 B13R0.182 C=C(C)CCSCC(O)COC(=O)C 62a_100000730704_200000139349 [0,2,0,0,0,0|1,0,1]=4 11788 B13R0.182 C=C(C)CCSCC(O)COC(=O)C 62a_200000139349_100000730704 [0,2,0,0,0,0|1,0,1]=4 11789 B13R0.182 CC(=O)CCCCC(=O)CCC(C)C 1458a_100000181311_100000735457 [0,2,0,0,0,0|1,0,1]=4 11790 B13R0.182 CC(=O)CCCCC(=O)COC(=O)C 1458a_100000183556_100000735457 [0,2,0,0,0,0|0,0,2]=4 11791 B13R0.182 CC(=O)CCCCN(C)CCC(C)C 269982a_100000742789_100000735457 [0,2,0,0,0,0|2,0,0]=4 11792 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100000759063_100011261404 [0,2,0,0,0,0|2,0,0]=4 11793 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 34a_100011215350_100000685027 [0,2,0,0,0,0|2,0,0]=4 11794 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 7a_100011215350_100011215641 [0,2,0,0,0,0|2,0,0]=4 11795 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011215641_100011261404 [0,2,0,0,0,0|2,0,0]=4 11796 B13R0.182 CC(=O)CCCSC(C)CCC(C)C 62a_100011261404_100011215641 [0,2,0,0,0,0|2,0,0]=4 11797 B13R0.182 CC(=O)CCOCC(O)COC(=O)C 34a_100000759926_200000139349 [0,2,0,0,0,0|1,0,1]=4 11798 B13R0.182 CC(=O)CCOCC(O)COC(=O)C 7a_100000759926_200000139349 [0,2,0,0,0,0|1,0,1]=4 11799 B13R0.182 CC(=O)CCSCC(O)COC(=O)C 62a_100000053229_200000139349 [0,2,0,0,0,0|1,0,1]=4 11800 B13R0.182 CC(=O)CCSCC(O)COC(=O)C 62a_200000139349_100000053229 [0,2,0,0,0,0|1,0,1]=4 11801 B13R0.182 CC(=O)NCC(=O)CCCCC(C)C 1458a_100000194580_100011216152 [0,2,0,0,0,0|1,0,1]=4 11802 B13R0.182 CC(=O)NCCCC(=O)CCC(C)C 1458a_100000194741_100000210312 [0,2,0,0,0,0|1,0,1]=4 11803 B13R0.182 CC(=O)NCCCC(=O)CCC(C)O 1458a_100000194741_100012276601 [0,2,0,0,0,0|1,0,1]=4 11804 B13R0.182 CC(=O)NCCNC(C)CCC(C)C 2230a_100000209853_100011261404 [0,2,0,0,0,0|2,0,0]=4 11805 B13R0.182 CC(=O)NCCNC(C)CCC(C)C 2230a_100138410893_100000189650 [0,2,0,0,0,0|2,0,0]=4 11806 B13R0.182 CC(=O)NCCOC(C)CCC(C)C 34a_100000158858_100011261404 [0,2,0,0,0,0|2,0,0]=4 11807 B13R0.182 CC(=O)NCCOC(C)CCC(C)C 7a_100011215350_100000189650 [0,2,0,0,0,0|2,0,0]=4 11808 B13R0.182 CC(=O)NCCSC(C)CCC(C)C 62a_100000189650_100011261404 [0,2,0,0,0,0|2,0,0]=4 11809 B13R0.182 CC(=O)NCCSC(C)CCC(C)C 62a_100011261404_100000189650 [0,2,0,0,0,0|2,0,0]=4 11810 B13R0.182 CC(=O)OCC(=O)CCCCC(C)C 1458a_100000183556_100011216152 [0,2,0,0,0,0|0,0,1]=3 11811 B13R0.182 CC(=O)OCC(=O)COCCC(C)Br 34a_100009893172_100000036994 [0,2,0,0,0,0|1,0,1]=4 11812 B13R0.182 CC(=O)OCC(=O)COCCC(C)C 34a_100000210254_100000036994 [0,2,0,0,0,0|1,0,1]=4 11813 B13R0.182 CC(=O)OCC(=O)COCC[C@@H](C)N 34a_100000706166_100000036994 [0,2,0,0,0,0|1,0,1]=4 11814 B13R0.182 CC(=O)OCC(=O)CSCCC(C)C 62a_100000036994_100000210312 [0,2,0,0,0,0|1,0,1]=4 11815 B13R0.182 CC(=O)OCC(=O)CSCCC(C)C 62a_100000210312_100000036994 [0,2,0,0,0,0|1,0,1]=4 11816 B13R0.182 CC(=O)OCC(=O)CSCCC(C)O 62a_100000036994_100012276601 [0,2,0,0,0,0|1,0,1]=4 11817 B13R0.182 CC(=O)OCC(=O)CSCCC(C)O 62a_100012276601_100000036994 [0,2,0,0,0,0|1,0,1]=4 11818 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 1626a_200000737386_100000183556 [0,2,0,0,0,0|1,0,1]=4 11819 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 240690a_200000737386_100000183556 [0,2,0,0,0,0|1,0,1]=4 11820 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 527a_200000737386_100000183556 [0,2,0,0,0,0|1,0,1]=4 11821 B13R0.182 CC(=O)OCC(C)NCCCC(C)C 270004a_200000737386_100000000629 [0,2,0,0,0,0|1,0,0]=3 11822 B13R0.182 CC(=O)OCC(C)NCCCN(C)C 270004a_102531767803_100000000629 [0,2,0,0,0,0|2,0,0]=4 11823 B13R0.182 CC(=O)OCC(C)NCCCS(=O)C 270004a_200000753449_100000000629 [0,2,0,0,0,0|2,0,0]=4 11824 B13R0.182 CC(=O)OCC(C)NCCOC(C)C 270004a_100000701111_100000000629 [0,2,0,0,0,0|2,0,0]=4 11825 B13R0.182 CC(=O)OCC(C)NCCSC(C)C 270004a_100000731138_100000000629 [0,2,0,0,0,0|2,0,0]=4 11826 B13R0.182 CC(=O)OCC(O)COCCC(C)Br 34a_100009893172_200000139349 [0,2,0,0,0,0|1,0,0]=3 11827 B13R0.182 CC(=O)OCC(O)COCCC(C)C 34a_100000210254_200000139349 [0,2,0,0,0,0|1,0,0]=3 11828 B13R0.182 CC(=O)OCC(O)COCCC(C)C 7a_100000210254_200000139349 [0,2,0,0,0,0|1,0,0]=3 11829 B13R0.182 CC(=O)OCC(O)COCCC(F)F 34a_100103093639_200000139349 [0,2,0,0,0,0|2,0,0]=4 11830 B13R0.182 CC(=O)OCC(O)COCC[C@@H](C)N 34a_100000706166_200000139349 [0,2,0,0,0,0|1,0,0]=3 11831 B13R0.182 CC(=O)OCC(O)CSCCC(C)C 62a_100000210312_200000139349 [0,2,0,0,0,0|1,0,0]=3 11832 B13R0.182 CC(=O)OCC(O)CSCCC(C)C 62a_200000139349_100000210312 [0,2,0,0,0,0|1,0,0]=3 11833 B13R0.182 CC(=O)OCC(O)CSCCC(C)O 62a_100012276601_200000139349 [0,2,0,0,0,0|1,0,0]=3 11834 B13R0.182 CC(=O)OCC(O)CSCCC(C)O 62a_200000139349_100012276601 [0,2,0,0,0,0|1,0,0]=3 11835 B13R0.182 CC(=O)OCC(O)CSCCN(C)C 62a_200000139349_100000755713 [0,2,0,0,0,0|2,0,0]=4 11836 B13R0.182 CC(=O)OCC(O)CSCOC(C)C 62a_100000709892_200000139349 [0,2,0,0,0,0|2,0,0]=4 11837 B13R0.182 CC(=O)OCC(O)CSCOC(C)C 62a_200000139349_100000709892 [0,2,0,0,0,0|2,0,0]=4 11838 B13R0.182 CC(=O)OCCCC(=O)CCC(C)C 1458a_100000181311_100000042594 [0,2,0,0,0,0|0,0,1]=3 11839 B13R0.182 CC(=O)OCCCC(=O)CC[S+](C)C 1458a_100009452791_100000042594 [0,2,0,0,0,0|1,0,1]=4 11840 B13R0.182 CC(=O)OCCCC(=O)COC(C)C 1458a_100000745533_100000042594 [0,2,0,0,0,0|1,0,1]=4 11841 B13R0.182 CC(=O)OCCCC(=O)CSC(C)C 1458a_100000241585_100000042594 [0,2,0,0,0,0|1,0,1]=4 11842 B13R0.182 CC(=O)OCCCN(C)CCC(C)C 269982a_100000742789_100000042594 [0,2,0,0,0,0|1,0,0]=3 11843 B13R0.182 CC(=O)OCCCN(C)CCN(C)C 269982a_100000225618_100000042594 [0,2,0,0,0,0|2,0,0]=4 11844 B13R0.182 CC(=O)OCCNC(=O)CCC(C)C 11a_100000724843_100000181311 [0,2,0,0,0,0|1,0,1]=4 11845 B13R0.182 CC(=O)OCCNC(=O)CCC(C)C 240690a_100000724843_100000181311 [0,2,0,0,0,0|1,0,1]=4 11846 B13R0.182 CC(=O)OCCNC(=O)CCC(C)C 527a_100000724843_100000181311 [0,2,0,0,0,0|1,0,1]=4 11847 B13R0.182 CC(=O)OCCOC(C)CCC(C)C 34a_100011215350_100009814007 [0,2,0,0,0,0|1,0,0]=3 11848 B13R0.182 CC(=O)OCCOC(C)CCC(C)C 7a_100011215350_100009814007 [0,2,0,0,0,0|1,0,0]=3 11849 B13R0.182 CC(=O)OCCSC(C)CCC(C)C 62a_100009814007_100011261404 [0,2,0,0,0,0|1,0,0]=3 11850 B13R0.182 CC(=O)OCCSC(C)CCC(C)C 62a_100011261404_100009814007 [0,2,0,0,0,0|1,0,0]=3 11851 B13R0.182 CC(=O)SCC(=O)CCCCC(C)C 1458a_100000049016_100011216152 [0,2,0,0,0,0|0,1,1]=4 11852 B13R0.182 CC(=O)SCC(C)CNCCC(C)O 2230a_200000755665_200000116872 [0,2,0,0,0,0|1,1,0]=4 11853 B13R0.182 CC(=O)SCC(C)COCCC(C)Br 34a_100009893172_200000116872 [0,2,0,0,0,0|1,1,0]=4 11854 B13R0.182 CC(=O)SCC(C)COCCC(C)C 34a_100000210254_200000116872 [0,2,0,0,0,0|1,1,0]=4 11855 B13R0.182 CC(=O)SCC(C)COCCC(C)C 7a_100000210254_200000116872 [0,2,0,0,0,0|1,1,0]=4 11856 B13R0.182 CC(=O)SCC(C)COCC[C@@H](C)N 34a_100000706166_200000116872 [0,2,0,0,0,0|1,1,0]=4 11857 B13R0.182 CC(=O)SCC(C)CSCCC(C)C 62a_100000210312_200000116872 [0,2,0,0,0,0|1,1,0]=4 11858 B13R0.182 CC(=O)SCC(C)CSCCC(C)C 62a_200000116872_100000210312 [0,2,0,0,0,0|1,1,0]=4 11859 B13R0.182 CC(=O)SCC(C)CSCCC(C)O 62a_100012276601_200000116872 [0,2,0,0,0,0|1,1,0]=4 11860 B13R0.182 CC(=O)SCC(C)CSCCC(C)O 62a_200000116872_100012276601 [0,2,0,0,0,0|1,1,0]=4 11861 B13R0.182 CC(=O)SCCCC(=O)CCC(C)C 1458a_100000181311_100000038929 [0,2,0,0,0,0|0,1,1]=4 11862 B13R0.182 CC(=O)SCCCN(C)CCC(C)C 2230a_100000742789_100000038929 [0,2,0,0,0,0|1,1,0]=4 11863 B13R0.182 CC(=O)SCCCN(C)CCC(C)C 269982a_100000742789_100000038929 [0,2,0,0,0,0|1,1,0]=4 11864 B13R0.182 CC(=S)OCCCC(=O)CCC(C)C 1458a_100000181311_200135323944 [0,2,0,0,0,0|0,1,1]=4 11865 B13R0.182 CC(=S)OCCCN(C)CCC(C)C 2230a_100000742789_200135323944 [0,2,0,0,0,0|1,1,0]=4 11866 B13R0.182 CC(=S)OCCCN(C)CCC(C)C 269982a_100000742789_200135323944 [0,2,0,0,0,0|1,1,0]=4 11867 B13R0.182 CC(C)CCC(C)OCCOC(=O)N 34a_100011215350_200011214921 [0,2,0,0,0,0|2,0,0]=4 11868 B13R0.182 CC(C)CCC(C)OCCOC(=O)N 7a_100011215350_200011214921 [0,2,0,0,0,0|2,0,0]=4 11869 B13R0.182 CC(C)CCC(C)SCCOC(=O)N 62a_100011261404_200011214921 [0,2,0,0,0,0|2,0,0]=4 11870 B13R0.182 CC(C)CCC(C)SCCOC(=O)N 62a_200011214921_100011261404 [0,2,0,0,0,0|2,0,0]=4 11871 B13R0.188 C#CCCCC(=O)CCCOC(=O)C 1458a_100000690238_100000042594 [0,2,0,0,0,0|0,0,2]=4 11872 B13R0.188 C=CCCCC(=O)CCCOC(=O)C 1458a_100000766728_100000042594 [0,2,0,0,0,0|0,0,2]=4 11873 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|1,0,1]=4 11874 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,2,0,0,0,0|2,0,0]=4 11875 B13R0.188 CC(=O)NCCCC(=O)CCCCF 1458a_100000194741_100000729493 [0,2,0,0,0,0|1,0,1]=4 11876 B13R0.188 CC(=O)NCCCC(=O)CCCCO 1458a_100000194741_100000210776 [0,2,0,0,0,0|1,0,1]=4 11877 B13R0.188 CC(=O)OCCCC(=O)CCCC#N 1458a_100000075515_100000042594 [0,2,0,0,0,0|0,0,2]=4 11878 B13R0.188 CC(=O)OCCCC(=O)CCCCO 1458a_100000695505_100000042594 [0,2,0,0,0,0|0,0,1]=3 11879 B13R0.188 CC(=O)OCCCC(=O)COCCO 1458a_100000708028_100000042594 [0,2,0,0,0,0|1,0,1]=4 11880 B13R0.188 CC(=O)OCCCN(C)CCCCO 269982a_100000717598_100000042594 [0,2,0,0,0,0|1,0,0]=3 11881 B13R0.188 CC(=O)OCOC[C@@H](N)CCCCN 34a_100016993712_100009813279 [0,2,0,0,0,0|1,0,0]=3 11882 B13R0.188 CC(=O)SCCCC(=O)CCCCO 1458a_100000695505_100000038929 [0,2,0,0,0,0|0,1,1]=4 11883 B13R0.188 CC(=O)SCCCN(C)CCCCO 2230a_100000717598_100000038929 [0,2,0,0,0,0|1,1,0]=4 11884 B13R0.188 CC(=O)SCCCN(C)CCCCO 269982a_100000717598_100000038929 [0,2,0,0,0,0|1,1,0]=4 11885 B13R0.188 CC(=S)OCCCC(=O)CCCCO 1458a_100000695505_200135323944 [0,2,0,0,0,0|0,1,1]=4 11886 B13R0.188 CC(=S)OCCCN(C)CCCCO 2230a_100000717598_200135323944 [0,2,0,0,0,0|1,1,0]=4 11887 B13R0.188 CC(=S)OCCCN(C)CCCCO 269982a_100000717598_200135323944 [0,2,0,0,0,0|1,1,0]=4 11888 B13R0.188 CC/C=C/CC(=O)CCCOC(=O)C 1458a_100016274230_100000042594 [0,2,0,0,0,0|0,0,2]=4 11889 B13R0.188 CCC#CCC(C)OCCOC(=O)C 34a_200000035118_100009814007 [0,2,0,0,0,0|0,0,2]=4 11890 B13R0.188 CCC#CCC(C)OCCOC(=O)C 7a_200000035118_100009814007 [0,2,0,0,0,0|0,0,2]=4 11891 B13R0.188 CCCC#CC(=O)CCCOC(=O)C 1458a_200011218047_100000042594 [0,2,0,0,0,0|0,0,2]=4 11892 B13R0.188 CCCC=CC(=O)CCCOC(=O)C 1458a_100000212230_100000042594 [0,2,0,0,0,0|0,0,2]=4 11893 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,2,0,0,0,0|1,0,0]=3 11894 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,2,0,0,0,0|1,0,0]=3 11895 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,2,0,0,0,0|0,0,0]=2 11896 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [0,2,0,0,0,0|0,1,0]=3 11897 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,2,0,0,0,0|0,1,0]=3 11898 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,2,0,0,0,0|1,0,1]=4 11899 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 11900 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 11901 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,2,0,0,0,0|1,0,1]=4 11902 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,2,0,0,0,0|1,0,1]=4 11903 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_100000076356_200012276598 [0,2,0,0,0,0|0,0,1]=3 11904 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_200012276598_100000076356 [0,2,0,0,0,0|0,0,1]=3 11905 B13R0.188 CCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000212188 [0,2,0,0,0,0|1,0,1]=4 11906 B13R0.188 CCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000212188 [0,2,0,0,0,0|1,0,1]=4 11907 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [0,2,0,0,0,0|0,0,1]=3 11908 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [0,2,0,0,0,0|0,0,1]=3 11909 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [0,2,0,0,0,0|0,0,1]=3 11910 B13R0.188 CCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000212188 [0,2,0,0,0,0|0,1,1]=4 11911 B13R0.188 CCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000212188 [0,2,0,0,0,0|0,1,1]=4 11912 B13R0.188 CCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000212188 [0,2,0,0,0,0|0,1,1]=4 11913 B13R0.188 CCCCCC(C)NCCC=C(C)C 2230a_100000211957_100011217483 [0,2,0,0,0,0|2,0,0]=4 11914 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,2,0,0,0,0|2,0,0]=4 11915 B13R0.188 CCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218191 [0,2,0,0,0,0|2,0,0]=4 11916 B13R0.188 CCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000211708 [0,2,0,0,0,0|2,0,0]=4 11917 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218191 [0,2,0,0,0,0|1,0,0]=3 11918 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000211957_100000189650 [0,2,0,0,0,0|1,0,0]=3 11919 B13R0.188 CCCCCC(C)NCCNC(=O)N 2230a_100000211957_200000034859 [0,2,0,0,0,0|2,0,0]=4 11920 B13R0.188 CCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218191 [0,2,0,0,0,0|2,0,0]=4 11921 B13R0.188 CCCCCC(C)NCCOC(C)C 2230a_100000211957_100000211751 [0,2,0,0,0,0|1,0,1]=4 11922 B13R0.188 CCCCCC(C)NCCOC(C)C 2230a_100000701111_200011218191 [0,2,0,0,0,0|1,0,1]=4 11923 B13R0.188 CCCCCC(C)NCCOC(C)C 270004a_100000701111_100000211708 [0,2,0,0,0,0|1,0,1]=4 11924 B13R0.188 CCCCCC(C)NCCOC(C)C 34a_100000701111_200011218191 [0,2,0,0,0,0|1,0,1]=4 11925 B13R0.188 CCCCCC(C)OCCC=C(C)C 34a_100011215632_100011217483 [0,2,0,0,0,0|2,0,0]=4 11926 B13R0.188 CCCCCC(C)OCCC=C(C)C 7a_100011215632_100011217483 [0,2,0,0,0,0|2,0,0]=4 11927 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,2,0,0,0,0|1,0,0]=3 11928 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,2,0,0,0,0|1,0,0]=3 11929 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,2,0,0,0,0|1,0,0]=3 11930 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,2,0,0,0,0|1,0,0]=3 11931 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,2,0,0,0,0|2,0,0]=4 11932 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,2,0,0,0,0|2,0,0]=4 11933 B13R0.188 CCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218191 [0,2,0,0,0,0|1,0,0]=3 11934 B13R0.188 CCCCCC(C)OCCNC(=O)C 7a_100011215632_100000189650 [0,2,0,0,0,0|1,0,0]=3 11935 B13R0.188 CCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218191 [0,2,0,0,0,0|2,0,0]=4 11936 B13R0.188 CCCCCC(C)OCCNC(=O)N 7a_100011215632_200000034859 [0,2,0,0,0,0|2,0,0]=4 11937 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [0,2,0,0,0,0|0,0,0]=2 11938 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [0,2,0,0,0,0|0,0,0]=2 11939 B13R0.188 CCCCCC(C)OCCOC(=O)N 34a_100011215632_200011214921 [0,2,0,0,0,0|1,0,0]=3 11940 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218191 [0,2,0,0,0,0|1,0,0]=3 11941 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100011215632_200011214921 [0,2,0,0,0,0|1,0,0]=3 11942 B13R0.188 CCCCCC(C)OCCOC(C)C 34a_100000211219_200011218191 [0,2,0,0,0,0|1,0,1]=4 11943 B13R0.188 CCCCCC(C)OCCOC(C)C 34a_100011215632_100000211751 [0,2,0,0,0,0|1,0,1]=4 11944 B13R0.188 CCCCCC(C)OCCOC(C)C 7a_100000211219_200011218191 [0,2,0,0,0,0|1,0,1]=4 11945 B13R0.188 CCCCCC(C)OCCOC(C)C 7a_100011215632_100000211751 [0,2,0,0,0,0|1,0,1]=4 11946 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_100011217483_200011218191 [0,2,0,0,0,0|2,0,0]=4 11947 B13R0.188 CCCCCC(C)SCCC=C(C)C 62a_200011218191_100011217483 [0,2,0,0,0,0|2,0,0]=4 11948 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,2,0,0,0,0|1,0,0]=3 11949 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,2,0,0,0,0|1,0,0]=3 11950 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,2,0,0,0,0|2,0,0]=4 11951 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,2,0,0,0,0|2,0,0]=4 11952 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218191 [0,2,0,0,0,0|1,0,0]=3 11953 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_200011218191_100000189650 [0,2,0,0,0,0|1,0,0]=3 11954 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218191 [0,2,0,0,0,0|2,0,0]=4 11955 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200011218191_200000034859 [0,2,0,0,0,0|2,0,0]=4 11956 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [0,2,0,0,0,0|0,0,0]=2 11957 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [0,2,0,0,0,0|0,0,0]=2 11958 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218191 [0,2,0,0,0,0|1,0,0]=3 11959 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011218191_200011214921 [0,2,0,0,0,0|1,0,0]=3 11960 B13R0.188 CCCCCC(C)SCCOC(C)C 62a_100000211751_200011218191 [0,2,0,0,0,0|1,0,1]=4 11961 B13R0.188 CCCCCC(C)SCCOC(C)C 62a_200011218191_100000211751 [0,2,0,0,0,0|1,0,1]=4 11962 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,2,0,0,0,0|1,0,0]=3 11963 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [0,2,0,0,0,0|0,0,0]=2 11964 B13R0.188 CCCCCN(C)CCCOC(=S)C 2230a_100000223495_200135323944 [0,2,0,0,0,0|0,1,0]=3 11965 B13R0.188 CCCCCN(C)CCCOC(=S)C 269982a_100000223495_200135323944 [0,2,0,0,0,0|0,1,0]=3 11966 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [0,2,0,0,0,0|0,1,0]=3 11967 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [0,2,0,0,0,0|0,1,0]=3 11968 B13R0.188 CCCCCN(C)CCOCC(=O)N 2230a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 11969 B13R0.188 CCCCCN(C)CCOCC(=O)N 269982a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 11970 B13R0.188 CCCCNC(=O)CCCNC(=O)C 11a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 11971 B13R0.188 CCCCNC(=O)CCCNC(=O)C 1626a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 11972 B13R0.188 CCCCNC(=O)CCCNC(=O)C 240690a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 11973 B13R0.188 CCCCNC(=O)CCCNC(=O)C 527a_100000102301_100000194741 [0,2,0,0,0,0|1,0,1]=4 11974 B13R0.188 CCCCNC(=O)CSCOC(=O)C 62a_100000076356_100000182744 [0,2,0,0,0,0|1,0,1]=4 11975 B13R0.188 CCCCNC(=O)CSCOC(=O)C 62a_100000182744_100000076356 [0,2,0,0,0,0|1,0,1]=4 11976 B13R0.188 CCCCNC(=O)NCCOC(=O)C 2708a_100000102301_100000724843 [0,2,0,0,0,0|1,0,1]=4 11977 B13R0.188 CCCCNC(=O)NCCOC(=O)C 273464a_100000102301_100000724843 [0,2,0,0,0,0|1,0,1]=4 11978 B13R0.188 CCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000102301 [0,2,0,0,0,0|1,0,1]=4 11979 B13R0.188 CCCCNC(=O)NCCOC(=O)C 512a_100000102301_100000724843 [0,2,0,0,0,0|1,0,1]=4 11980 B13R0.188 CCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000102301 [0,2,0,0,0,0|1,0,1]=4 11981 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000076356_100000211628 [0,2,0,0,0,0|1,0,1]=4 11982 B13R0.188 CCCCOC(=O)CSCOC(=O)C 62a_100000211628_100000076356 [0,2,0,0,0,0|1,0,1]=4 11983 B13R0.188 CCCNN=C(C)CCCOC(=O)C 4a_100000740057_100000031019 [0,2,0,0,0,0|1,0,1]=4 11984 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,2,0,0,0,0|1,0,1]=4 11985 B13R0.188 CCCOCC(=O)CCCOC(=O)C 1458a_100000745993_100000042594 [0,2,0,0,0,0|0,0,1]=3 11986 B13R0.188 CCCOCC(=O)CCCOC(=S)C 1458a_100000745993_200135323944 [0,2,0,0,0,0|0,1,1]=4 11987 B13R0.188 CCCOCC(=O)CCCSC(=O)C 1458a_100000745993_100000038929 [0,2,0,0,0,0|0,1,1]=4 11988 B13R0.188 CCCOCC(=O)NCCOC(=O)C 11a_100000724843_100000745993 [0,2,0,0,0,0|1,0,1]=4 11989 B13R0.188 CCCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000745993 [0,2,0,0,0,0|1,0,1]=4 11990 B13R0.188 CCCOCC(=O)NCCOC(=O)C 527a_100000724843_100000745993 [0,2,0,0,0,0|1,0,1]=4 11991 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,2,0,0,0,0|1,0,1]=4 11992 B13R0.188 CCCSCC(=O)CCCOC(=O)C 1458a_100000217233_100000042594 [0,2,0,0,0,0|0,0,1]=3 11993 B13R0.188 CCCSCC(=O)CCCOC(=S)C 1458a_100000217233_200135323944 [0,2,0,0,0,0|0,1,1]=4 11994 B13R0.188 CCCSCC(=O)CCCSC(=O)C 1458a_100000217233_100000038929 [0,2,0,0,0,0|0,1,1]=4 11995 B13R0.188 CCCSCC(=O)NCCOC(=O)C 11a_100000724843_100000217233 [0,2,0,0,0,0|1,0,1]=4 11996 B13R0.188 CCCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000217233 [0,2,0,0,0,0|1,0,1]=4 11997 B13R0.188 CCCSCC(=O)NCCOC(=O)C 527a_100000724843_100000217233 [0,2,0,0,0,0|1,0,1]=4 11998 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,2,0,0,0,0|1,0,1]=4 11999 B13R0.188 CCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215890 [0,2,0,0,0,0|1,0,1]=4 12000 B13R0.188 CCOCCC(=O)CCCOC(=O)C 1458a_100000749530_100000042594 [0,2,0,0,0,0|0,0,1]=3 12001 B13R0.188 CCOCCC(=O)CCCOC(=S)C 1458a_100000749530_200135323944 [0,2,0,0,0,0|0,1,1]=4 12002 B13R0.188 CCOCCC(=O)CCCSC(=O)C 1458a_100000749530_100000038929 [0,2,0,0,0,0|0,1,1]=4 12003 B13R0.188 CCOCCC(=O)NCCOC(=O)C 11a_100000724843_100000749530 [0,2,0,0,0,0|1,0,1]=4 12004 B13R0.188 CCOCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749530 [0,2,0,0,0,0|1,0,1]=4 12005 B13R0.188 CCOCCC(=O)NCCOC(=O)C 527a_100000724843_100000749530 [0,2,0,0,0,0|1,0,1]=4 12006 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,2,0,0,0,0|1,0,1]=4 12007 B13R0.188 CCSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757381 [0,2,0,0,0,0|1,0,1]=4 12008 B13R0.188 CCSCCC(=O)CCCOC(=O)C 1458a_100000230768_100000042594 [0,2,0,0,0,0|0,0,1]=3 12009 B13R0.188 CCSCCC(=O)CCCOC(=S)C 1458a_100000230768_200135323944 [0,2,0,0,0,0|0,1,1]=4 12010 B13R0.188 CCSCCC(=O)CCCSC(=O)C 1458a_100000230768_100000038929 [0,2,0,0,0,0|0,1,1]=4 12011 B13R0.188 CCSCCC(=O)NCCOC(=O)C 11a_100000724843_100000230768 [0,2,0,0,0,0|1,0,1]=4 12012 B13R0.188 CCSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000230768 [0,2,0,0,0,0|1,0,1]=4 12013 B13R0.188 CCSCCC(=O)NCCOC(=O)C 527a_100000724843_100000230768 [0,2,0,0,0,0|1,0,1]=4 12014 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,2,0,0,0,0|1,0,1]=4 12015 B13R0.188 COCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000740836 [0,2,0,0,0,0|1,0,1]=4 12016 B13R0.188 COCCCC(=O)CCCOC(=O)C 1458a_100000741012_100000042594 [0,2,0,0,0,0|0,0,1]=3 12017 B13R0.188 COCCCC(=O)CCCOC(=S)C 1458a_100000741012_200135323944 [0,2,0,0,0,0|0,1,1]=4 12018 B13R0.188 COCCCC(=O)CCCSC(=O)C 1458a_100000741012_100000038929 [0,2,0,0,0,0|0,1,1]=4 12019 B13R0.188 COCCCC(=O)NCCOC(=O)C 11a_100000724843_100000741012 [0,2,0,0,0,0|1,0,1]=4 12020 B13R0.188 COCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000741012 [0,2,0,0,0,0|1,0,1]=4 12021 B13R0.188 COCCCC(=O)NCCOC(=O)C 527a_100000724843_100000741012 [0,2,0,0,0,0|1,0,1]=4 12022 B13R0.188 COCCCC(C)OCCCC(=O)C 34a_200011539412_100000685027 [0,2,0,0,0,0|2,0,0]=4 12023 B13R0.188 COCCCC(C)OCCCC(=O)C 7a_200011539412_100011215641 [0,2,0,0,0,0|2,0,0]=4 12024 B13R0.188 COCCCC(C)OCCNC(=O)C 7a_200011539412_100000189650 [0,2,0,0,0,0|2,0,0]=4 12025 B13R0.188 COCCCC(C)OCCOC(=O)C 34a_200011539412_100009814007 [0,2,0,0,0,0|1,0,0]=3 12026 B13R0.188 COCCCC(C)OCCOC(=O)C 7a_200011539412_100009814007 [0,2,0,0,0,0|1,0,0]=3 12027 B13R0.188 COCCCC(C)OCCOC(=O)N 34a_200011539412_200011214921 [0,2,0,0,0,0|2,0,0]=4 12028 B13R0.188 COCCCC(C)OCCOC(=O)N 7a_200011539412_200011214921 [0,2,0,0,0,0|2,0,0]=4 12029 B13R0.188 COCCCN(C)CCCCC(=O)C 269982a_100000224831_100000735457 [0,2,0,0,0,0|2,0,0]=4 12030 B13R0.188 COCCCN(C)CCCOC(=O)C 269982a_100000224831_100000042594 [0,2,0,0,0,0|1,0,0]=3 12031 B13R0.188 COCCCN(C)CCCOC(=S)C 2230a_100000224831_200135323944 [0,2,0,0,0,0|1,1,0]=4 12032 B13R0.188 COCCCN(C)CCCOC(=S)C 269982a_100000224831_200135323944 [0,2,0,0,0,0|1,1,0]=4 12033 B13R0.188 COCCCN(C)CCCSC(=O)C 2230a_100000224831_100000038929 [0,2,0,0,0,0|1,1,0]=4 12034 B13R0.188 COCCCN(C)CCCSC(=O)C 269982a_100000224831_100000038929 [0,2,0,0,0,0|1,1,0]=4 12035 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,2,0,0,0,0|1,0,1]=4 12036 B13R0.188 CSCCCC(=O)CCCOC(=O)C 1458a_100000173376_100000042594 [0,2,0,0,0,0|0,0,1]=3 12037 B13R0.188 CSCCCC(=O)CCCOC(=S)C 1458a_100000173376_200135323944 [0,2,0,0,0,0|0,1,1]=4 12038 B13R0.188 CSCCCC(=O)CCCSC(=O)C 1458a_100000173376_100000038929 [0,2,0,0,0,0|0,1,1]=4 12039 B13R0.188 CSCCCC(=O)NCCOC(=O)C 11a_100000724843_100000173376 [0,2,0,0,0,0|1,0,1]=4 12040 B13R0.188 CSCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000173376 [0,2,0,0,0,0|1,0,1]=4 12041 B13R0.188 CSCCCC(=O)NCCOC(=O)C 527a_100000724843_100000173376 [0,2,0,0,0,0|1,0,1]=4 12042 B13R0.261 CC(=O)OCCCN(C)C(C)CCO 269982a_100000731037_100000042594 [0,2,0,0,0,0|2,0,0]=4 12043 B13R0.261 CCCC(C)C(=O)CCCCC(=O)C 1458a_100000210906_100000735457 [0,2,0,0,0,0|1,0,1]=4 12044 B13R0.261 CCCC(C)C(=O)CCCNC(=O)C 1458a_100000194741_100000766640 [0,2,0,0,0,0|1,0,1]=4 12045 B13R0.261 CCCC(C)C(=O)CCCOC(=O)C 1458a_100000210906_100000042594 [0,2,0,0,0,0|0,0,1]=3 12046 B13R0.261 CCCC(C)C(=O)CCCOC(=S)C 1458a_100000210906_200135323944 [0,2,0,0,0,0|0,1,1]=4 12047 B13R0.261 CCCC(C)C(=O)CCCSC(=O)C 1458a_100000210906_100000038929 [0,2,0,0,0,0|0,1,1]=4 12048 B13R0.261 CCCC(C)C(=O)NCCOC(=O)C 11a_100000724843_100000210906 [0,2,0,0,0,0|1,0,1]=4 12049 B13R0.261 CCCC(C)C(=O)NCCOC(=O)C 240690a_100000724843_100000210906 [0,2,0,0,0,0|1,0,1]=4 12050 B13R0.261 CCCC(C)C(=O)NCCOC(=O)C 527a_100000724843_100000210906 [0,2,0,0,0,0|1,0,1]=4 12051 B13R0.261 CCCC(C)C(C)OCCCC(=O)C 34a_100000708338_100000685027 [0,2,0,0,0,0|2,0,0]=4 12052 B13R0.261 CCCC(C)C(C)OCCCC(=O)C 7a_100000708338_100011215641 [0,2,0,0,0,0|2,0,0]=4 12053 B13R0.261 CCCC(C)C(C)OCCNC(=O)C 7a_100000708338_100000189650 [0,2,0,0,0,0|2,0,0]=4 12054 B13R0.261 CCCC(C)C(C)OCCOC(=O)C 34a_100000708338_100009814007 [0,2,0,0,0,0|1,0,0]=3 12055 B13R0.261 CCCC(C)C(C)OCCOC(=O)C 7a_100000708338_100009814007 [0,2,0,0,0,0|1,0,0]=3 12056 B13R0.261 CCCC(C)C(C)OCCOC(=O)N 34a_100000708338_200011214921 [0,2,0,0,0,0|2,0,0]=4 12057 B13R0.261 CCCC(C)C(C)OCCOC(=O)N 7a_100000708338_200011214921 [0,2,0,0,0,0|2,0,0]=4 12058 B13R0.261 CCC[C@H](O)C(=O)CCCCC(=O)C 1458a_100009822183_100000735457 [0,2,0,0,0,0|1,0,1]=4 12059 B13R0.261 CCC[C@H](O)C(=O)CCCOC(=O)C 1458a_100009822183_100000042594 [0,2,0,0,0,0|0,0,1]=3 12060 B13R0.261 CCC[C@H](O)C(=O)CCCOC(=S)C 1458a_100009822183_200135323944 [0,2,0,0,0,0|0,1,1]=4 12061 B13R0.261 CCC[C@H](O)C(=O)CCCSC(=O)C 1458a_100009822183_100000038929 [0,2,0,0,0,0|0,1,1]=4 12062 B13R0.261 CCC[C@H](O)C(=O)NCCOC(=O)C 240690a_100000724843_100009822183 [0,2,0,0,0,0|1,0,1]=4 12063 B13R0.261 CCOC(C)C(=O)CCCOC(=O)C 1458a_100000739345_100000042594 [0,2,0,0,0,0|1,0,1]=4 12064 B13R0.261 CCSC(C)C(=O)CCCOC(=O)C 1458a_100000230601_100000042594 [0,2,0,0,0,0|1,0,1]=4 12065 B13R0.261 COCC(C)C(=O)CCCOC(=O)C 1458a_100000751857_100000042594 [0,2,0,0,0,0|1,0,1]=4 12066 B13R0.261 CSCC(C)C(=O)CCCOC(=O)C 1458a_100000753918_100000042594 [0,2,0,0,0,0|1,0,1]=4 12067 B13R0.300 C#CC(CCCC)OCCCC(=O)C 34a_200011217967_100000685027 [0,2,0,0,0,0|2,0,0]=4 12068 B13R0.300 C#CC(CCCC)OCCCC(=O)C 7a_200011217967_100011215641 [0,2,0,0,0,0|2,0,0]=4 12069 B13R0.300 C#CC(CCCC)OCCNC(=O)C 7a_200011217967_100000189650 [0,2,0,0,0,0|2,0,0]=4 12070 B13R0.300 C#CC(CCCC)OCCOC(=O)C 34a_200011217967_100009814007 [0,2,0,0,0,0|1,0,0]=3 12071 B13R0.300 C#CC(CCCC)OCCOC(=O)C 7a_200011217967_100009814007 [0,2,0,0,0,0|1,0,0]=3 12072 B13R0.300 C#CC(CCCC)OCCOC(=O)N 34a_200011217967_200011214921 [0,2,0,0,0,0|2,0,0]=4 12073 B13R0.300 C#CC(CCCC)OCCOC(=O)N 7a_200011217967_200011214921 [0,2,0,0,0,0|2,0,0]=4 12074 B13R0.300 C=CC(CCCC)OCCCC(=O)C 34a_200011215037_100000685027 [0,2,0,0,0,0|2,0,0]=4 12075 B13R0.300 C=CC(CCCC)OCCCC(=O)C 7a_200011215037_100011215641 [0,2,0,0,0,0|2,0,0]=4 12076 B13R0.300 C=CC(CCCC)OCCNC(=O)C 7a_200011215037_100000189650 [0,2,0,0,0,0|2,0,0]=4 12077 B13R0.300 C=CC(CCCC)OCCOC(=O)C 34a_200011215037_100009814007 [0,2,0,0,0,0|1,0,0]=3 12078 B13R0.300 C=CC(CCCC)OCCOC(=O)C 7a_200011215037_100009814007 [0,2,0,0,0,0|1,0,0]=3 12079 B13R0.300 C=CC(CCCC)OCCOC(=O)N 34a_200011215037_200011214921 [0,2,0,0,0,0|2,0,0]=4 12080 B13R0.300 C=CC(CCCC)OCCOC(=O)N 7a_200011215037_200011214921 [0,2,0,0,0,0|2,0,0]=4 12081 B13R0.300 CCCCC(CC)CCCCC(=O)C 1458a_100000070787_200012094884 [0,2,0,0,0,0|1,0,0]=3 12082 B13R0.300 CCCCC(CC)COCCC(=O)C 34a_100000759926_100000211942 [0,2,0,0,0,0|2,0,0]=4 12083 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000210273_100000053229 [0,2,0,0,0,0|2,0,0]=4 12084 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000759926_100000211942 [0,2,0,0,0,0|2,0,0]=4 12085 B13R0.300 CCCCC(CC)COCOC(=O)C 34a_100000210273_100009813279 [0,2,0,0,0,0|1,0,0]=3 12086 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000053229_100000211942 [0,2,0,0,0,0|2,0,0]=4 12087 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000211942_100000053229 [0,2,0,0,0,0|2,0,0]=4 12088 B13R0.300 CCCCC(CC)CSCOC(=O)C 62a_100000076356_100000211942 [0,2,0,0,0,0|1,0,0]=3 12089 B13R0.300 CCCCC(CC)CSCOC(=O)C 62a_100000211942_100000076356 [0,2,0,0,0,0|1,0,0]=3 12090 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100000759063_200011216223 [0,2,0,0,0,0|2,0,0]=4 12091 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100011215227_100000685027 [0,2,0,0,0,0|2,0,0]=4 12092 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100000759063_200011216223 [0,2,0,0,0,0|2,0,0]=4 12093 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100011215227_100011215641 [0,2,0,0,0,0|2,0,0]=4 12094 B13R0.300 CCCCC(CC)OCCNC(=O)C 34a_100000158858_200011216223 [0,2,0,0,0,0|2,0,0]=4 12095 B13R0.300 CCCCC(CC)OCCNC(=O)C 7a_100011215227_100000189650 [0,2,0,0,0,0|2,0,0]=4 12096 B13R0.300 CCCCC(CC)OCCOC(=O)C 34a_100011215227_100009814007 [0,2,0,0,0,0|1,0,0]=3 12097 B13R0.300 CCCCC(CC)OCCOC(=O)C 7a_100011215227_100009814007 [0,2,0,0,0,0|1,0,0]=3 12098 B13R0.300 CCCCC(CC)OCCOC(=O)N 34a_100011215227_200011214921 [0,2,0,0,0,0|2,0,0]=4 12099 B13R0.300 CCCCC(CC)OCCOC(=O)N 7a_100000766696_200011216223 [0,2,0,0,0,0|2,0,0]=4 12100 B13R0.300 CCCCC(CC)OCCOC(=O)N 7a_100011215227_200011214921 [0,2,0,0,0,0|2,0,0]=4 12101 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_100011215641_200011216223 [0,2,0,0,0,0|2,0,0]=4 12102 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_200011216223_100011215641 [0,2,0,0,0,0|2,0,0]=4 12103 B13R0.300 CCCCC(CC)SCCNC(=O)C 62a_100000189650_200011216223 [0,2,0,0,0,0|2,0,0]=4 12104 B13R0.300 CCCCC(CC)SCCNC(=O)C 62a_200011216223_100000189650 [0,2,0,0,0,0|2,0,0]=4 12105 B13R0.300 CCCCC(CC)SCCOC(=O)C 62a_100009814007_200011216223 [0,2,0,0,0,0|1,0,0]=3 12106 B13R0.300 CCCCC(CC)SCCOC(=O)C 62a_200011216223_100009814007 [0,2,0,0,0,0|1,0,0]=3 12107 B13R0.300 CCCCC(CC)SCCOC(=O)N 62a_200011214921_200011216223 [0,2,0,0,0,0|2,0,0]=4 12108 B13R0.300 CCCCC(CC)SCCOC(=O)N 62a_200011216223_200011214921 [0,2,0,0,0,0|2,0,0]=4 12109 B13R0.300 CCCCN(CC)CCCCC(=O)C 269982a_100000207695_100000735457 [0,2,0,0,0,0|2,0,0]=4 12110 B13R0.300 CCCCN(CC)CCCOC(=O)C 269982a_100000207695_100000042594 [0,2,0,0,0,0|1,0,0]=3 12111 B13R0.300 CCCCN(CC)CCCOC(=S)C 2230a_100000207695_200135323944 [0,2,0,0,0,0|1,1,0]=4 12112 B13R0.300 CCCCN(CC)CCCOC(=S)C 269982a_100000207695_200135323944 [0,2,0,0,0,0|1,1,0]=4 12113 B13R0.300 CCCCN(CC)CCCSC(=O)C 2230a_100000207695_100000038929 [0,2,0,0,0,0|1,1,0]=4 12114 B13R0.300 CCCCN(CC)CCCSC(=O)C 269982a_100000207695_100000038929 [0,2,0,0,0,0|1,1,0]=4 12115 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|2,0,0]=4 12116 B13R0.300 CCCC[C@@H](CO)NCCNC(=O)C 2230a_100011934283_100000189650 [0,2,0,0,0,0|2,0,0]=4 12117 B13R0.300 CCCC[C@@H](CO)NCCOC(=O)C 34a_100011934283_100009814007 [0,2,0,0,0,0|1,0,0]=3 12118 B13R0.300 CCCC[C@@H](CO)NCCOC(=O)N 34a_100011934283_200011214921 [0,2,0,0,0,0|2,0,0]=4 12119 B13R0.300 CCN(CCCOC(=O)C)CCOC 269982a_100000731262_100000042594 [0,2,0,0,0,0|2,0,0]=4 12120 B13R0.300 CCOCC(CN)OCCOC(=O)C 34a_102515437182_100009814007 [0,2,0,0,0,0|2,0,0]=4 12121 B13R0.345 CCCCC(C)C(=O)CCCC(=O)C 1458a_100000725509_100011215641 [0,2,0,0,0,0|1,0,1]=4 12122 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_200011215066 [0,2,0,0,0,0|1,0,1]=4 12123 B13R0.345 CCCCC(C)C(=O)CCNC(=O)C 1458a_100000725509_100000189650 [0,2,0,0,0,0|1,0,1]=4 12124 B13R0.345 CCCCC(C)C(=O)CCOC(=O)C 1458a_100000725509_100009814007 [0,2,0,0,0,0|0,0,1]=3 12125 B13R0.345 CCCCC(C)C(=O)CCOC(=O)N 1458a_100000725509_200011214921 [0,2,0,0,0,0|1,0,1]=4 12126 B13R0.345 CCCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_200011215066 [0,2,0,0,0,0|0,1,1]=4 12127 B13R0.345 CCCCC(O)C(=O)CCCC(=O)C 1458a_100000720857_100011215641 [0,2,0,0,0,0|1,0,1]=4 12128 B13R0.345 CCCCC(O)C(=O)CCNC(=O)C 1458a_100000720857_100000189650 [0,2,0,0,0,0|1,0,1]=4 12129 B13R0.345 CCCCC(O)C(=O)CCOC(=O)C 1458a_100000720857_100009814007 [0,2,0,0,0,0|0,0,1]=3 12130 B13R0.345 CCCCC(O)C(=O)CCOC(=O)N 1458a_100000720857_200011214921 [0,2,0,0,0,0|1,0,1]=4 12131 B13R0.345 CSCCC(O)C(=O)CCOC(=O)C 1458a_100000685904_100009814007 [0,2,0,0,0,0|1,0,1]=4 12132 B13R0.456 CC(=O)OCCOC(C)(C)CCCBr 7a_100009888830_100009814007 [0,2,0,0,0,0|2,0,0]=4 12133 B13R0.456 CCCCC(C)(C)COCCC(=O)C 7a_200011995781_100000053229 [0,2,0,0,0,0|2,0,0]=4 12134 B13R0.456 CCCCC(C)(C)OCCCC(=O)C 7a_100011219641_100011215641 [0,2,0,0,0,0|2,0,0]=4 12135 B13R0.456 CCCCC(C)(C)OCCNC(=O)C 7a_100011219641_100000189650 [0,2,0,0,0,0|2,0,0]=4 12136 B13R0.456 CCCCC(C)(C)OCCOC(=O)C 7a_100011219641_100009814007 [0,2,0,0,0,0|1,0,0]=3 12137 B13R0.456 CCCCC(C)(C)OCCOC(=O)N 7a_100011219641_200011214921 [0,2,0,0,0,0|2,0,0]=4 12138 B13R0.456 CCCCS(=O)(=O)NCCOC(=O)C 270084a_100000724843_100000212082 [0,2,0,0,0,0|2,0,0]=4 12139 B13R0.456 CCCCS(=O)(=O)NCCOC(=O)C 274078a_100000724843_100000212082 [0,2,0,0,0,0|2,0,0]=4 12140 B13R0.456 CCCCS(=O)(=O)NCCOC(=O)C 40a_100000724843_100000054263 [0,2,0,0,0,0|2,0,0]=4 12141 B13R0.456 CCCC[Si](C)(C)CSCOC(=O)C 62a_100000076356_200000073895 [0,2,0,0,0,0|1,1,0]=4 12142 B13R0.456 CCCC[Si](C)(C)CSCOC(=O)C 62a_200000073895_100000076356 [0,2,0,0,0,0|1,1,0]=4 12143 B13R0.21 CCCC(C)COCCOS(=O)(=O)C 34a_100000688023_200000036756 [0,2,0,0,0,0|2,0,0]=4 12144 B13R0.21 CCCC(C)COCCOS(=O)(=O)C 7a_100000688023_200000036756 [0,2,0,0,0,0|2,0,0]=4 12145 B13R0.21 CCCC(C)CSCCOS(=O)(=O)C 62a_100011216630_200000036756 [0,2,0,0,0,0|2,0,0]=4 12146 B13R0.21 CCCC(C)CSCCOS(=O)(=O)C 62a_200000036756_100011216630 [0,2,0,0,0,0|2,0,0]=4 12147 B13R0.21 CCC[C@H](N)COCCOS(=O)(=O)C 34a_100000732646_200000036756 [0,2,0,0,0,0|2,0,0]=4 12148 B13R0.57 CCCCCCCCN(C)S(=O)(=O)C 40a_100000207567_100000738038 [0,2,0,0,0,0|2,0,0]=4 12149 B13R0.196 CCCCCC(=O)CCOS(=O)(=O)C 1458a_100000212188_200000036756 [0,2,0,0,0,0|1,0,1]=4 12150 B13R0.196 CCCCCN(C)CCOS(=O)(=O)C 2230a_100000223495_200000036756 [0,2,0,0,0,0|2,0,0]=4 12151 B13R0.196 CCCCCN(C)CCOS(=O)(=O)C 269982a_100000223495_200000036756 [0,2,0,0,0,0|2,0,0]=4 12152 B13R0.280 CC(C)(C)OCCCCCCCCBr 34a_100009813846_100000210625 [0,2,0,0,0,0|1,0,1]=4 12153 B13R0.280 CC(C)(C)OCCCCCCCCCl 34a_100000033203_100000210625 [0,2,0,0,0,0|1,0,1]=4 12154 B13R0.280 CC(C)(C)OCCCCCCCCN 34a_102515433106_100000210625 [0,2,0,0,0,0|1,0,1]=4 12155 B13R0.280 CC(C)(C)OCCCCCCCCO 34a_100015890283_100000033203 [0,2,0,0,0,0|1,0,1]=4 12156 B13R0.280 CC(C)(C)OCCCCCCCCO 7a_100015890283_100000033203 [0,2,0,0,0,0|1,0,1]=4 12157 B13R0.280 CCCCCCCCCNS(=O)(=O)C 40a_100000212291_100000738038 [0,2,0,0,0,0|2,0,0]=4 12158 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100000210712_100000210625 [0,2,0,0,0,0|1,0,1]=4 12159 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100015890283_100011214924 [0,2,0,0,0,0|1,0,1]=4 12160 B13R0.280 CCCCCCCCCOC(C)(C)C 7a_100015890283_100000210328 [0,2,0,0,0,0|1,0,1]=4 12161 B13R0.280 CCCCCCCCOCC(C)(C)C 34a_100000210232_100011219605 [0,2,0,0,0,0|1,0,1]=4 12162 B13R0.280 CCCCCCCCOCC(C)(C)F 34a_100000210232_100011997219 [0,2,0,0,0,0|1,0,1]=4 12163 B13R0.280 CCCCCCCCOCC(C)(C)F 34a_100000716592_100000210759 [0,2,0,0,0,0|1,0,1]=4 12164 B13R0.280 CCCCCCCCOCC(C)(C)O 34a_100000210232_100000764493 [0,2,0,0,0,0|0,0,2]=4 12165 B13R0.280 CCCCCCCCOCC(C)(C)O 7a_100000210232_100000764493 [0,2,0,0,0,0|0,0,2]=4 12166 B13R0.280 CCCCCCCCOCC(C)(F)F 34a_100000068830_100000210759 [0,2,0,0,0,0|1,0,1]=4 12167 B13R0.280 CCCCCCCCOCS(=O)(=O)[O-] 34a_100000210232_100009817235 [0,2,0,0,0,0|2,0,0]=4 12168 B13R0.280 CCCCCCCCOC[Si](C)(C)C 7a_100000210232_100000233785 [0,2,0,0,0,0|1,1,0]=4 12169 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000229938_100000731031 [0,2,0,0,0,0|2,0,0]=4 12170 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210681 [0,2,0,0,0,0|2,0,0]=4 12171 B13R0.280 CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210614 [0,2,0,0,0,0|2,0,0]=4 12172 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000210272_100000731031 [0,2,0,0,0,0|2,0,0]=4 12173 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210614 [0,2,0,0,0,0|2,0,0]=4 12174 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000210272_100000230027 [0,2,0,0,0,0|2,0,0]=4 12175 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210614 [0,2,0,0,0,0|2,0,0]=4 12176 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000210614_100000230027 [0,2,0,0,0,0|2,0,0]=4 12177 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210316 [0,2,0,0,0,0|2,0,0]=4 12178 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000210581_100000754308 [0,2,0,0,0,0|2,0,0]=4 12179 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210314 [0,2,0,0,0,0|2,0,0]=4 12180 B13R0.280 CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210314 [0,2,0,0,0,0|2,0,0]=4 12181 B13R0.280 CCCCCCNCCNS(=O)(=O)C 2230a_100000210581_100000754112 [0,2,0,0,0,0|2,0,0]=4 12182 B13R0.280 CCCCCCNCCNS(=O)(=O)C 34a_100000752411_100000210314 [0,2,0,0,0,0|2,0,0]=4 12183 B13R0.280 CCCCCCNCCOC(C)(C)C 2230a_100000747557_100000210314 [0,2,0,0,0,0|1,0,1]=4 12184 B13R0.280 CCCCCCNCCOS(=O)(=O)C 2230a_100000210581_200000036756 [0,2,0,0,0,0|1,0,0]=3 12185 B13R0.280 CCCCCCNCCO[Si](C)(C)C 2230a_100000210581_200000032530 [0,2,0,0,0,0|1,1,0]=4 12186 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000210259_100000754308 [0,2,0,0,0,0|2,0,0]=4 12187 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210314 [0,2,0,0,0,0|2,0,0]=4 12188 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000210259_100000754308 [0,2,0,0,0,0|2,0,0]=4 12189 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210314 [0,2,0,0,0,0|2,0,0]=4 12190 B13R0.280 CCCCCCOCCNS(=O)(=O)C 7a_100000210259_100000754112 [0,2,0,0,0,0|2,0,0]=4 12191 B13R0.280 CCCCCCOCCOC(C)(C)C 34a_100000691444_100000210625 [0,2,0,0,0,0|1,0,1]=4 12192 B13R0.280 CCCCCCOCCOC(C)(C)C 34a_100000693234_100000210314 [0,2,0,0,0,0|1,0,1]=4 12193 B13R0.280 CCCCCCOCCOC(C)(C)C 7a_100000693234_100000210314 [0,2,0,0,0,0|1,0,1]=4 12194 B13R0.280 CCCCCCOCCOS(=O)(=O)C 34a_100000210259_200000036756 [0,2,0,0,0,0|1,0,0]=3 12195 B13R0.280 CCCCCCOCCOS(=O)(=O)C 7a_100000210259_200000036756 [0,2,0,0,0,0|1,0,0]=3 12196 B13R0.280 CCCCCCOCCO[Si](C)(C)C 34a_100000210259_200000032530 [0,2,0,0,0,0|1,1,0]=4 12197 B13R0.280 CCCCCCOCCO[Si](C)(C)C 7a_100000210259_200000032530 [0,2,0,0,0,0|1,1,0]=4 12198 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000210314_100000754308 [0,2,0,0,0,0|2,0,0]=4 12199 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210757 [0,2,0,0,0,0|2,0,0]=4 12200 B13R0.280 CCCCCCSCCNS(=O)(=O)C 62a_100000210314_100000754112 [0,2,0,0,0,0|2,0,0]=4 12201 B13R0.280 CCCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210757 [0,2,0,0,0,0|2,0,0]=4 12202 B13R0.280 CCCCCCSCCOS(=O)(=O)C 62a_100000210314_200000036756 [0,2,0,0,0,0|1,0,0]=3 12203 B13R0.280 CCCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210757 [0,2,0,0,0,0|1,0,0]=3 12204 B13R0.280 CCCCCCSCCO[Si](C)(C)C 62a_100000210314_200000032530 [0,2,0,0,0,0|1,1,0]=4 12205 B13R0.280 CCCCCCSCCO[Si](C)(C)C 62a_200000032530_100000210757 [0,2,0,0,0,0|1,1,0]=4 12206 B13R0.280 CCCCCNCCCNS(=O)(=O)C 34a_100000736790_100000718602 [0,2,0,0,0,0|2,0,0]=4 12207 B13R0.280 CCCCCNCCCOC(C)(C)C 2230a_100011250582_100000210326 [0,2,0,0,0,0|1,0,1]=4 12208 B13R0.280 CCCCNCCCCOC(C)(C)C 34a_200011216965_100000210625 [0,2,0,0,0,0|1,0,1]=4 12209 B13R0.280 CCCCOCCCCOC(C)(C)C 34a_200000760531_100000210625 [0,2,0,0,0,0|1,0,1]=4 12210 B13R0.280 CCCCOCSCCOS(=O)(=O)C 62a_100011995733_200000036756 [0,2,0,0,0,0|2,0,0]=4 12211 B13R0.280 CCCCOCSCCOS(=O)(=O)C 62a_200000036756_100011995733 [0,2,0,0,0,0|2,0,0]=4 12212 B13R0.280 CCCOCCNCCOS(=O)(=O)C 2230a_100161115042_200000036756 [0,2,0,0,0,0|2,0,0]=4 12213 B13R0.280 CCCOCCNCCOS(=O)(=O)C 34a_100161115042_200000036756 [0,2,0,0,0,0|2,0,0]=4 12214 B13R0.280 CCCOCCOCCOS(=O)(=O)C 34a_100000210258_100015571617 [0,2,0,0,0,0|2,0,0]=4 12215 B13R0.280 CCCOCCOCCOS(=O)(=O)C 34a_100000752267_200000036756 [0,2,0,0,0,0|2,0,0]=4 12216 B13R0.280 CCCOCCOCCOS(=O)(=O)C 7a_100000752267_200000036756 [0,2,0,0,0,0|2,0,0]=4 12217 B13R0.280 CCCOCCSCCOS(=O)(=O)C 62a_100011215938_200000036756 [0,2,0,0,0,0|2,0,0]=4 12218 B13R0.280 CCCOCCSCCOS(=O)(=O)C 62a_200000036756_100011215938 [0,2,0,0,0,0|2,0,0]=4 12219 B13R0.280 CCCSCCNCCOS(=O)(=O)C 2230a_100020603323_200000036756 [0,2,0,0,0,0|2,0,0]=4 12220 B13R0.280 CCCSCCOCCOS(=O)(=O)C 34a_200000230433_200000036756 [0,2,0,0,0,0|2,0,0]=4 12221 B13R0.280 CCCSCCOCCOS(=O)(=O)C 62a_100000210303_100015571617 [0,2,0,0,0,0|2,0,0]=4 12222 B13R0.280 CCCSCCOCCOS(=O)(=O)C 62a_100015571617_100000210303 [0,2,0,0,0,0|2,0,0]=4 12223 B13R0.280 CCCSCCOCCOS(=O)(=O)C 7a_200000230433_200000036756 [0,2,0,0,0,0|2,0,0]=4 12224 B13R0.280 CCOCCCNCCOS(=O)(=O)C 2230a_100000210961_200000036756 [0,2,0,0,0,0|2,0,0]=4 12225 B13R0.280 CCOCCCNCCOS(=O)(=O)C 34a_100000210961_200000036756 [0,2,0,0,0,0|2,0,0]=4 12226 B13R0.280 CCOCCCOCCOS(=O)(=O)C 34a_100000757476_200000036756 [0,2,0,0,0,0|2,0,0]=4 12227 B13R0.280 CCOCCCOCCOS(=O)(=O)C 7a_100000757476_200000036756 [0,2,0,0,0,0|2,0,0]=4 12228 B13R0.280 CCOCCCSCCOS(=O)(=O)C 62a_100012232248_200000036756 [0,2,0,0,0,0|2,0,0]=4 12229 B13R0.280 CCOCCCSCCOS(=O)(=O)C 62a_200000036756_100012232248 [0,2,0,0,0,0|2,0,0]=4 12230 B13R0.280 CCSCCCOCCOS(=O)(=O)C 34a_100011216438_200000036756 [0,2,0,0,0,0|2,0,0]=4 12231 B13R0.280 CCSCCCOCCOS(=O)(=O)C 7a_100011216438_200000036756 [0,2,0,0,0,0|2,0,0]=4 12232 B13R0.280 COCCCCOCCOS(=O)(=O)C 34a_100000740925_200000036756 [0,2,0,0,0,0|2,0,0]=4 12233 B13R0.280 COCCCCSCCOS(=O)(=O)C 62a_100000730899_200000036756 [0,2,0,0,0,0|2,0,0]=4 12234 B13R0.280 COCCCCSCCOS(=O)(=O)C 62a_200000036756_100000730899 [0,2,0,0,0,0|2,0,0]=4 12235 B13R0.280 CS(=O)(=O)NCCCCCCCCO 40a_102515433106_100000738038 [0,2,0,0,0,0|2,0,0]=4 12236 B13R0.280 CS(=O)(=O)OCCNCCCCCO 2230a_100000762737_200000036756 [0,2,0,0,0,0|2,0,0]=4 12237 B13R0.280 CS(=O)(=O)OCCNCCCCCO 34a_100000762737_200000036756 [0,2,0,0,0,0|2,0,0]=4 12238 B13R0.280 CS(=O)(=O)OCCOCCCCCBr 34a_100000746331_200000036756 [0,2,0,0,0,0|2,0,0]=4 12239 B13R0.280 CS(=O)(=O)OCCOCCCCCBr 7a_100000746331_200000036756 [0,2,0,0,0,0|2,0,0]=4 12240 B13R0.280 CS(=O)(=O)OCCOCCCCCCl 34a_100000746330_200000036756 [0,2,0,0,0,0|2,0,0]=4 12241 B13R0.280 CS(=O)(=O)OCCOCCCCCCl 7a_100000746330_200000036756 [0,2,0,0,0,0|2,0,0]=4 12242 B13R0.280 CS(=O)(=O)OCCOCCCCCI 34a_200012148887_200000036756 [0,2,0,0,0,0|2,0,0]=4 12243 B13R0.280 CS(=O)(=O)OCCOCCCCCI 7a_200012148887_200000036756 [0,2,0,0,0,0|2,0,0]=4 12244 B13R0.280 CS(=O)(=O)OCCOCCCCCN 34a_100000762737_200000036756 [0,2,0,0,0,0|2,0,0]=4 12245 B13R0.280 CS(=O)(=O)OCCSCCCCCF 62a_100000729378_200000036756 [0,2,0,0,0,0|2,0,0]=4 12246 B13R0.280 CS(=O)(=O)OCCSCCCCCF 62a_200000036756_100000729378 [0,2,0,0,0,0|2,0,0]=4 12247 B13R0.280 CS(=O)(=O)OCCSCCCCCO 62a_100000746330_200000036756 [0,2,0,0,0,0|2,0,0]=4 12248 B13R0.280 CS(=O)(=O)OCCSCCCCCO 62a_200000036756_100000746330 [0,2,0,0,0,0|2,0,0]=4 12249 B13R0.280 CSCCCCOCCOS(=O)(=O)C 34a_100011217163_200000036756 [0,2,0,0,0,0|2,0,0]=4 12250 B13R0.280 CSCCCCOCCOS(=O)(=O)C 7a_100011217163_200000036756 [0,2,0,0,0,0|2,0,0]=4 12251 B13R0.431 CCC(C)CCNCCOS(=O)(=O)C 2230a_100020591266_200000036756 [0,2,0,0,0,0|2,0,0]=4 12252 B13R0.431 CCC(C)CCOCCOS(=O)(=O)C 7a_100011215188_200000036756 [0,2,0,0,0,0|2,0,0]=4 12253 B13R0.442 CC(=O)CCCCOCCC(C)(C)C 7a_100000765024_100000735457 [0,2,0,0,0,0|2,0,0]=4 12254 B13R0.442 CC(=O)CCCCSCCC(C)(C)C 62a_100000735457_100000755188 [0,2,0,0,0,0|2,0,0]=4 12255 B13R0.442 CC(=O)CCCCSCCC(C)(C)C 62a_100000755188_100000735457 [0,2,0,0,0,0|2,0,0]=4 12256 B13R0.442 CC(=O)CCCCSCCC(C)(C)O 62a_100000702414_100000735457 [0,2,0,0,0,0|2,0,0]=4 12257 B13R0.442 CC(=O)CCCCSCCC(C)(C)O 62a_100000735457_100000702414 [0,2,0,0,0,0|2,0,0]=4 12258 B13R0.442 CC(=O)CCCOCCCC(C)(C)O 34a_100000759063_100009888830 [0,2,0,0,0,0|2,0,0]=4 12259 B13R0.442 CC(=O)CCCOCCCC(C)(C)O 7a_100000759063_100009888830 [0,2,0,0,0,0|2,0,0]=4 12260 B13R0.442 CC(=O)CCCSCCCC(C)(C)O 62a_100009888830_100011215641 [0,2,0,0,0,0|2,0,0]=4 12261 B13R0.442 CC(=O)CCCSCCCC(C)(C)O 62a_100011215641_100009888830 [0,2,0,0,0,0|2,0,0]=4 12262 B13R0.442 CC(=O)COCCCCCC(C)(C)O 34a_100000211253_100010402123 [0,2,0,0,0,0|2,0,0]=4 12263 B13R0.442 CC(=O)NCCCCCNC(C)(C)C 34a_200012022750_100000210625 [0,2,0,0,0,0|2,0,0]=4 12264 B13R0.442 CC(=O)NCCCCNCC(C)(C)C 270004a_200011368371_100011204126 [0,2,0,0,0,0|2,0,0]=4 12265 B13R0.442 CC(=O)NCCCCNCC(C)(C)C 34a_200011368371_100011219605 [0,2,0,0,0,0|2,0,0]=4 12266 B13R0.442 CC(=O)NCCCCNCC(C)(C)F 34a_200011368371_100011997219 [0,2,0,0,0,0|2,0,0]=4 12267 B13R0.442 CC(=O)NCCCCNCC(C)(C)O 34a_200011368371_100000764493 [0,2,0,0,0,0|2,0,0]=4 12268 B13R0.442 CC(=O)NCCCNCCC(C)(C)C 34a_100000736810_100000755188 [0,2,0,0,0,0|2,0,0]=4 12269 B13R0.442 CC(=O)NCCCNCCC(C)(C)O 34a_100000736810_100000702414 [0,2,0,0,0,0|2,0,0]=4 12270 B13R0.442 CC(=O)NCCCOCCC(C)(C)C 34a_100000752032_100000755188 [0,2,0,0,0,0|2,0,0]=4 12271 B13R0.442 CC(=O)NCCCOCCC(C)(C)O 34a_100000752032_100000702414 [0,2,0,0,0,0|2,0,0]=4 12272 B13R0.442 CC(=O)NCCNCCCC(C)(C)O 2230a_100000209853_100009888830 [0,2,0,0,0,0|2,0,0]=4 12273 B13R0.442 CC(=O)NCCOCCCC(C)(C)O 34a_100000158858_100009888830 [0,2,0,0,0,0|2,0,0]=4 12274 B13R0.442 CC(=O)NCCSCCCC(C)(C)O 62a_100000189650_100009888830 [0,2,0,0,0,0|2,0,0]=4 12275 B13R0.442 CC(=O)NCCSCCCC(C)(C)O 62a_100009888830_100000189650 [0,2,0,0,0,0|2,0,0]=4 12276 B13R0.442 CC(=O)OCCCCCNC(C)(C)C 2230a_100000715429_100009813381 [0,2,0,0,0,0|1,0,0]=3 12277 B13R0.442 CC(=O)OCCCCCOC(C)(C)C 34a_100015890283_100000033007 [0,2,0,0,0,0|1,0,0]=3 12278 B13R0.442 CC(=O)OCCCCCOC(C)(C)C 7a_100015890283_100000033007 [0,2,0,0,0,0|1,0,0]=3 12279 B13R0.442 CC(=O)OCCCCCSC(C)(C)C 62a_100000033007_100000211941 [0,2,0,0,0,0|1,0,0]=3 12280 B13R0.442 CC(=O)OCCCCCSC(C)(C)C 62a_100000211941_100000033007 [0,2,0,0,0,0|1,0,0]=3 12281 B13R0.442 CC(=O)OCCCCCSC(F)(F)F 62a_100000033007_200103152311 [0,2,0,0,0,0|2,0,0]=4 12282 B13R0.442 CC(=O)OCCCCCSC(F)(F)F 62a_200000243211_100000033007 [0,2,0,0,0,0|2,0,0]=4 12283 B13R0.442 CC(=O)OCCCCNCC(F)(F)F 34a_100000717047_100000033659 [0,2,0,0,0,0|2,0,0]=4 12284 B13R0.442 CC(=O)OCCCCOCC(C)(C)C 34a_100000073216_100011219605 [0,2,0,0,0,0|1,0,0]=3 12285 B13R0.442 CC(=O)OCCCCOCC(C)(C)F 34a_100000073216_100011997219 [0,2,0,0,0,0|1,0,0]=3 12286 B13R0.442 CC(=O)OCCCCOCC(C)(C)F 34a_100000716592_100000033659 [0,2,0,0,0,0|1,0,0]=3 12287 B13R0.442 CC(=O)OCCCCOCC(C)(C)O 34a_100000073216_100000764493 [0,2,0,0,0,0|1,0,0]=3 12288 B13R0.442 CC(=O)OCCCCOCC(C)(C)O 7a_100000073216_100000764493 [0,2,0,0,0,0|1,0,0]=3 12289 B13R0.442 CC(=O)OCCCCOCC(C)(F)F 34a_100000068830_100000033659 [0,2,0,0,0,0|1,0,0]=3 12290 B13R0.442 CC(=O)OCCCCOCC(F)(F)Br 34a_100011217949_100000033659 [0,2,0,0,0,0|2,0,0]=4 12291 B13R0.442 CC(=O)OCCCCOCC(F)(F)Cl 34a_100000734434_100000033659 [0,2,0,0,0,0|2,0,0]=4 12292 B13R0.442 CC(=O)OCCCCOCC(F)(F)F 34a_100000210435_100000033659 [0,2,0,0,0,0|2,0,0]=4 12293 B13R0.442 CC(=O)OCCCCOC[Si](C)(C)C 7a_100000073216_100000233785 [0,2,0,0,0,0|1,1,0]=4 12294 B13R0.442 CC(=O)OCCCCSCC(C)(C)C 62a_100000033659_100011219605 [0,2,0,0,0,0|1,0,0]=3 12295 B13R0.442 CC(=O)OCCCCSCC(C)(C)C 62a_100011219605_100000033659 [0,2,0,0,0,0|1,0,0]=3 12296 B13R0.442 CC(=O)OCCCCSCC(C)(C)F 62a_100000033659_100011997219 [0,2,0,0,0,0|1,0,0]=3 12297 B13R0.442 CC(=O)OCCCCSCC(C)(C)F 62a_100011997219_100000033659 [0,2,0,0,0,0|1,0,0]=3 12298 B13R0.442 CC(=O)OCCCCSCC(C)(C)O 62a_100000033659_100000764493 [0,2,0,0,0,0|1,0,0]=3 12299 B13R0.442 CC(=O)OCCCCSCC(C)(C)O 62a_100000764493_100000033659 [0,2,0,0,0,0|1,0,0]=3 12300 B13R0.442 CC(=O)OCCCCSCC(F)(F)F 62a_100000033659_100000763148 [0,2,0,0,0,0|2,0,0]=4 12301 B13R0.442 CC(=O)OCCCCSCC(F)(F)F 62a_100000763148_100000033659 [0,2,0,0,0,0|2,0,0]=4 12302 B13R0.442 CC(=O)OCCCCSC[N+](C)(C)C 62a_100000033659_200000036245 [0,2,0,0,0,0|2,0,0]=4 12303 B13R0.442 CC(=O)OCCCCSC[N+](C)(C)C 62a_200000036245_100000033659 [0,2,0,0,0,0|2,0,0]=4 12304 B13R0.442 CC(=O)OCCCCSC[Si](C)(C)C 62a_100000033659_100000037933 [0,2,0,0,0,0|1,1,0]=4 12305 B13R0.442 CC(=O)OCCCCSC[Si](C)(C)C 62a_100000037933_100000033659 [0,2,0,0,0,0|1,1,0]=4 12306 B13R0.442 CC(=O)OCCCNCCC(F)(F)F 34a_100000740434_100000042594 [0,2,0,0,0,0|2,0,0]=4 12307 B13R0.442 CC(=O)OCCCNCCS(=O)(=O)C 34a_100000740961_100000042594 [0,2,0,0,0,0|2,0,0]=4 12308 B13R0.442 CC(=O)OCCCOCCC(C)(C)C 7a_100000765024_100000042594 [0,2,0,0,0,0|1,0,0]=3 12309 B13R0.442 CC(=O)OCCCOCCC(F)(F)F 34a_100000752437_100000042594 [0,2,0,0,0,0|2,0,0]=4 12310 B13R0.442 CC(=O)OCCCOCCS(=O)(=O)C 34a_100000211924_100000042594 [0,2,0,0,0,0|2,0,0]=4 12311 B13R0.442 CC(=O)OCCCOCCS(=O)(=O)C 7a_100000211924_100000042594 [0,2,0,0,0,0|2,0,0]=4 12312 B13R0.442 CC(=O)OCCCOCC[N+](C)(C)C 7a_200020618287_100000042594 [0,2,0,0,0,0|2,0,0]=4 12313 B13R0.442 CC(=O)OCCCOCC[Si](C)(C)C 7a_100000039746_100000042594 [0,2,0,0,0,0|1,1,0]=4 12314 B13R0.442 CC(=O)OCCCSCCC(C)(C)C 62a_100000042594_100000755188 [0,2,0,0,0,0|1,0,0]=3 12315 B13R0.442 CC(=O)OCCCSCCC(C)(C)C 62a_100000755188_100000042594 [0,2,0,0,0,0|1,0,0]=3 12316 B13R0.442 CC(=O)OCCCSCCC(C)(C)O 62a_100000042594_100000702414 [0,2,0,0,0,0|1,0,0]=3 12317 B13R0.442 CC(=O)OCCCSCCC(C)(C)O 62a_100000702414_100000042594 [0,2,0,0,0,0|1,0,0]=3 12318 B13R0.442 CC(=O)OCCCSCCC(F)(F)F 62a_100000042594_100011219754 [0,2,0,0,0,0|2,0,0]=4 12319 B13R0.442 CC(=O)OCCCSCCC(F)(F)F 62a_100011219754_100000042594 [0,2,0,0,0,0|2,0,0]=4 12320 B13R0.442 CC(=O)OCCCSCCS(=O)(=O)C 62a_100000042594_100000230027 [0,2,0,0,0,0|2,0,0]=4 12321 B13R0.442 CC(=O)OCCCSCCS(=O)(=O)C 62a_100000731031_100000042594 [0,2,0,0,0,0|2,0,0]=4 12322 B13R0.442 CC(=O)OCCCSCC[N+](C)(C)C 62a_100000042594_100000085578 [0,2,0,0,0,0|2,0,0]=4 12323 B13R0.442 CC(=O)OCCCSCC[N+](C)(C)C 62a_100000085578_100000042594 [0,2,0,0,0,0|2,0,0]=4 12324 B13R0.442 CC(=O)OCCCSCC[Si](C)(C)C 62a_100000042594_200000733723 [0,2,0,0,0,0|1,1,0]=4 12325 B13R0.442 CC(=O)OCCCSCC[Si](C)(C)C 62a_200000733723_100000042594 [0,2,0,0,0,0|1,1,0]=4 12326 B13R0.442 CC(=O)OCCNCCCC(F)(F)F 34a_100000727188_100009814007 [0,2,0,0,0,0|2,0,0]=4 12327 B13R0.442 CC(=O)OCCNCCCS(=O)(=O)C 34a_100000742409_100009814007 [0,2,0,0,0,0|2,0,0]=4 12328 B13R0.442 CC(=O)OCCOCCCC(F)(F)F 34a_100000749235_100009814007 [0,2,0,0,0,0|2,0,0]=4 12329 B13R0.442 CC(=O)OCCOCCCS(=O)(=O)C 34a_100000689940_100009814007 [0,2,0,0,0,0|2,0,0]=4 12330 B13R0.442 CC(=O)OCCOCCCS(=O)(=O)C 7a_100000689940_100009814007 [0,2,0,0,0,0|2,0,0]=4 12331 B13R0.442 CC(=O)OCCOCCC[Si](C)(C)C 7a_200011215415_100009814007 [0,2,0,0,0,0|1,1,0]=4 12332 B13R0.442 CC(=O)OCCOCCNC(C)(C)C 2230a_100000715429_200000083610 [0,2,0,0,0,0|2,0,0]=4 12333 B13R0.442 CC(=O)OCCOCCOC(C)(C)C 34a_100000693234_100009814007 [0,2,0,0,0,0|2,0,0]=4 12334 B13R0.442 CC(=O)OCCOCCOC(C)(C)C 34a_100015890283_200000083610 [0,2,0,0,0,0|2,0,0]=4 12335 B13R0.442 CC(=O)OCCOCCOC(C)(C)C 7a_100000693234_100009814007 [0,2,0,0,0,0|2,0,0]=4 12336 B13R0.442 CC(=O)OCCOCCOC(C)(C)C 7a_100015890283_200000083610 [0,2,0,0,0,0|2,0,0]=4 12337 B13R0.442 CC(=O)OCCOCCSC(C)(C)C 62a_100000211941_200000083610 [0,2,0,0,0,0|2,0,0]=4 12338 B13R0.442 CC(=O)OCCOCCSC(C)(C)C 62a_200000083610_100000211941 [0,2,0,0,0,0|2,0,0]=4 12339 B13R0.442 CC(=O)OCCOCOCC(C)(C)F 34a_100000716592_100000076355 [0,2,0,0,0,0|2,0,0]=4 12340 B13R0.442 CC(=O)OCCOCOCC(C)(F)F 34a_100000068830_100000076355 [0,2,0,0,0,0|2,0,0]=4 12341 B13R0.442 CC(=O)OCCOCSCC(C)(C)C 62a_100000076355_100011219605 [0,2,0,0,0,0|2,0,0]=4 12342 B13R0.442 CC(=O)OCCOCSCC(C)(C)C 62a_100011219605_100000076355 [0,2,0,0,0,0|2,0,0]=4 12343 B13R0.442 CC(=O)OCCOCSCC(C)(C)F 62a_100000076355_100011997219 [0,2,0,0,0,0|2,0,0]=4 12344 B13R0.442 CC(=O)OCCOCSCC(C)(C)F 62a_100011997219_100000076355 [0,2,0,0,0,0|2,0,0]=4 12345 B13R0.442 CC(=O)OCCOCSCC(C)(C)O 62a_100000076355_100000764493 [0,2,0,0,0,0|2,0,0]=4 12346 B13R0.442 CC(=O)OCCOCSCC(C)(C)O 62a_100000764493_100000076355 [0,2,0,0,0,0|2,0,0]=4 12347 B13R0.442 CC(=O)OCCSCCCC(C)(C)O 62a_100009814007_100009888830 [0,2,0,0,0,0|1,0,0]=3 12348 B13R0.442 CC(=O)OCCSCCCC(C)(C)O 62a_100009888830_100009814007 [0,2,0,0,0,0|1,0,0]=3 12349 B13R0.442 CC(=O)OCCSCCCC(F)(F)F 62a_100009814007_100011216173 [0,2,0,0,0,0|2,0,0]=4 12350 B13R0.442 CC(=O)OCCSCCCC(F)(F)F 62a_100011216173_100009814007 [0,2,0,0,0,0|2,0,0]=4 12351 B13R0.442 CC(=O)OCCSCCCS(=O)(=O)C 62a_100000754308_100009814007 [0,2,0,0,0,0|2,0,0]=4 12352 B13R0.442 CC(=O)OCCSCCCS(=O)(=O)C 62a_100009814007_100000754308 [0,2,0,0,0,0|2,0,0]=4 12353 B13R0.442 CC(=O)OCCSCCC[N+](C)(C)C 62a_100009814007_100016990835 [0,2,0,0,0,0|2,0,0]=4 12354 B13R0.442 CC(=O)OCCSCCC[N+](C)(C)C 62a_100016990835_100009814007 [0,2,0,0,0,0|2,0,0]=4 12355 B13R0.442 CC(=O)OCCSCCC[Si](C)(C)C 62a_100009814007_100011219597 [0,2,0,0,0,0|1,1,0]=4 12356 B13R0.442 CC(=O)OCCSCCC[Si](C)(C)C 62a_100011219597_100009814007 [0,2,0,0,0,0|1,1,0]=4 12357 B13R0.442 CC(=O)OCOCCCCC(F)(F)F 34a_100000749236_100009813279 [0,2,0,0,0,0|2,0,0]=4 12358 B13R0.442 CC(=O)OCSCCCCC(F)(F)F 62a_100000076356_100000692467 [0,2,0,0,0,0|2,0,0]=4 12359 B13R0.442 CC(=O)OCSCCCCC(F)(F)F 62a_100000692467_100000076356 [0,2,0,0,0,0|2,0,0]=4 12360 B13R0.442 CC(=O)SCCCCNCC(C)(C)C 2230a_100000743828_200010402107 [0,2,0,0,0,0|1,1,0]=4 12361 B13R0.442 CC(=O)SCCCCNCC(C)(C)F 2230a_100020643315_200010402107 [0,2,0,0,0,0|1,1,0]=4 12362 B13R0.442 CC(=O)SCCCCNCC(C)(C)O 2230a_100000751335_200010402107 [0,2,0,0,0,0|1,1,0]=4 12363 B13R0.442 CC(=O)SCCCCOCC(C)(C)F 34a_100000716592_200010402107 [0,2,0,0,0,0|1,1,0]=4 12364 B13R0.442 CC(=O)SCCCCOCC(C)(F)F 34a_100000068830_200010402107 [0,2,0,0,0,0|1,1,0]=4 12365 B13R0.442 CC(=O)SCCCCSCC(C)(C)C 62a_100011219605_200010402107 [0,2,0,0,0,0|1,1,0]=4 12366 B13R0.442 CC(=O)SCCCCSCC(C)(C)C 62a_200010402107_100011219605 [0,2,0,0,0,0|1,1,0]=4 12367 B13R0.442 CC(=O)SCCCCSCC(C)(C)F 62a_100011997219_200010402107 [0,2,0,0,0,0|1,1,0]=4 12368 B13R0.442 CC(=O)SCCCCSCC(C)(C)F 62a_200010402107_100011997219 [0,2,0,0,0,0|1,1,0]=4 12369 B13R0.442 CC(=O)SCCCCSCC(C)(C)O 62a_100000764493_200010402107 [0,2,0,0,0,0|1,1,0]=4 12370 B13R0.442 CC(=O)SCCCCSCC(C)(C)O 62a_200010402107_100000764493 [0,2,0,0,0,0|1,1,0]=4 12371 B13R0.442 CC(=O)SCCCNCCC(C)(C)C 2230a_100000738805_100000038929 [0,2,0,0,0,0|1,1,0]=4 12372 B13R0.442 CC(=O)SCCCNCCC(C)(C)F 2230a_100016253952_100000038929 [0,2,0,0,0,0|1,1,0]=4 12373 B13R0.442 CC(=O)SCCCOCCC(C)(C)C 7a_100000765024_100000038929 [0,2,0,0,0,0|1,1,0]=4 12374 B13R0.442 CC(=O)SCCCSCCC(C)(C)C 62a_100000038929_100000755188 [0,2,0,0,0,0|1,1,0]=4 12375 B13R0.442 CC(=O)SCCCSCCC(C)(C)C 62a_100000755188_100000038929 [0,2,0,0,0,0|1,1,0]=4 12376 B13R0.442 CC(=O)SCCCSCCC(C)(C)O 62a_100000038929_100000702414 [0,2,0,0,0,0|1,1,0]=4 12377 B13R0.442 CC(=O)SCCCSCCC(C)(C)O 62a_100000702414_100000038929 [0,2,0,0,0,0|1,1,0]=4 12378 B13R0.442 CC(=S)OCCCNCCC(C)(C)C 2230a_100000738805_200135323944 [0,2,0,0,0,0|1,1,0]=4 12379 B13R0.442 CC(=S)OCCCNCCC(C)(C)F 2230a_100016253952_200135323944 [0,2,0,0,0,0|1,1,0]=4 12380 B13R0.442 CC(=S)OCCCOCCC(C)(C)C 7a_100000765024_200135323944 [0,2,0,0,0,0|1,1,0]=4 12381 B13R0.442 CC(=S)OCCCSCCC(C)(C)C 62a_100000755188_200135323944 [0,2,0,0,0,0|1,1,0]=4 12382 B13R0.442 CC(=S)OCCCSCCC(C)(C)C 62a_200135323944_100000755188 [0,2,0,0,0,0|1,1,0]=4 12383 B13R0.442 CC(=S)OCCCSCCC(C)(C)O 62a_100000702414_200135323944 [0,2,0,0,0,0|1,1,0]=4 12384 B13R0.442 CC(=S)OCCCSCCC(C)(C)O 62a_200135323944_100000702414 [0,2,0,0,0,0|1,1,0]=4 12385 B13R0.442 CC(C)(O)CCCOCCOC(=O)N 7a_100000766696_100009888830 [0,2,0,0,0,0|2,0,0]=4 12386 B13R0.442 CC(C)(O)CCCSCCOC(=O)N 62a_100009888830_200011214921 [0,2,0,0,0,0|2,0,0]=4 12387 B13R0.442 CC(C)(O)CCCSCCOC(=O)N 62a_200011214921_100009888830 [0,2,0,0,0,0|2,0,0]=4 12388 B13R0.442 CC(C)CCCCCCNS(=O)(=O)C 40a_100000211014_100000738038 [0,2,0,0,0,0|2,0,0]=4 12389 B13R0.442 CC(C)CCCNCCOS(=O)(=O)C 2230a_200000737386_200000036756 [0,2,0,0,0,0|2,0,0]=4 12390 B13R0.442 CC(C)CCCNCCOS(=O)(=O)C 34a_200000737386_200000036756 [0,2,0,0,0,0|2,0,0]=4 12391 B13R0.442 CC(C)CCCOCCOS(=O)(=O)C 34a_100000210774_200000036756 [0,2,0,0,0,0|2,0,0]=4 12392 B13R0.442 CC(C)CCCOCCOS(=O)(=O)C 7a_100000210774_200000036756 [0,2,0,0,0,0|2,0,0]=4 12393 B13R0.442 CC(C)CCCSCCOS(=O)(=O)C 62a_100011214892_200000036756 [0,2,0,0,0,0|2,0,0]=4 12394 B13R0.442 CC(C)CCCSCCOS(=O)(=O)C 62a_200000036756_100011214892 [0,2,0,0,0,0|2,0,0]=4 12395 B13R0.442 CC(O)CCCSCCOS(=O)(=O)C 62a_200000036756_200000718107 [0,2,0,0,0,0|2,0,0]=4 12396 B13R0.442 CC(O)CCCSCCOS(=O)(=O)C 62a_200000718107_200000036756 [0,2,0,0,0,0|2,0,0]=4 12397 B13R0.1215 C#CC(C)(C)OCCCCCCCC 34a_100000189450_100000210759 [0,2,0,0,0,0|1,0,1]=4 12398 B13R0.1215 C#CC(C)(C)OCCCCCCCC 34a_100000210232_100000038118 [0,2,0,0,0,0|1,0,1]=4 12399 B13R0.1215 C#CC(C)(C)OCCCCCCCC 7a_100000189450_100000210759 [0,2,0,0,0,0|1,0,1]=4 12400 B13R0.1215 C=CC(C)(C)OCCCCCCCC 34a_100011215311_100000210759 [0,2,0,0,0,0|1,0,1]=4 12401 B13R0.1215 C=CC(C)(C)OCCCCCCCC 7a_100011215311_100000210759 [0,2,0,0,0,0|1,0,1]=4 12402 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 270084a_100000229939_100000211323 [0,2,0,0,0,0|2,0,0]=4 12403 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 274078a_100000229939_100000211323 [0,2,0,0,0,0|2,0,0]=4 12404 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 40a_100000229939_100000053943 [0,2,0,0,0,0|2,0,0]=4 12405 B13R0.1215 CCCCCCCCNS(=O)(=O)CCl 270084a_100000229939_100000031410 [0,2,0,0,0,0|2,0,0]=4 12406 B13R0.1215 CCCCCCCCNS(=O)(=O)CCl 274078a_100000229939_100000031410 [0,2,0,0,0,0|2,0,0]=4 12407 B13R0.1215 CCCCCCCCOC(C)(C)C#N 34a_100000210232_100011162410 [0,2,0,0,0,0|1,0,1]=4 12408 B13R0.1215 CCCCCCCCOC(C)(C)C#N 34a_200015195151_100000210759 [0,2,0,0,0,0|1,0,1]=4 12409 B13R0.1215 CCCCCCCCOC(C)(C)C#N 7a_100000210232_100011162410 [0,2,0,0,0,0|1,0,1]=4 12410 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210230_100000210759 [0,2,0,0,0,0|1,0,1]=4 12411 B13R0.1215 CCCCCCCCOC(C)(C)CC 7a_100000210232_100000210677 [0,2,0,0,0,0|1,0,1]=4 12412 B13R0.1215 CCCCCCCCOC(C)(C)CCl 7a_100000764493_100000210759 [0,2,0,0,0,0|1,0,1]=4 12413 B13R0.88 C#CCC(=O)CCCCCOC(=O)C 1458a_100011220946_100000033007 [0,2,0,0,0,0|0,0,2]=4 12414 B13R0.88 C#CCC(C)OCCCCOC(=O)C 34a_100000685586_100000033659 [0,2,0,0,0,0|0,0,2]=4 12415 B13R0.88 C#CCC(C)OCCCCOC(=O)C 7a_100000685586_100000033659 [0,2,0,0,0,0|0,0,2]=4 12416 B13R0.88 C#CCN(C)CCCCCOC(=O)C 2230a_100000225692_100009813381 [0,2,0,0,0,0|0,0,2]=4 12417 B13R0.88 C#CCN(C)CCCCCOC(=O)C 34a_100000225692_100000033007 [0,2,0,0,0,0|0,0,2]=4 12418 B13R0.88 C/C=C/C(C)OCCCCOC(=O)C 34a_200102604097_100000033659 [0,2,0,0,0,0|0,0,2]=4 12419 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 12420 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 12421 B13R0.88 C=CCC(=O)CCCCCOC(=O)C 1458a_100000210193_100000033007 [0,2,0,0,0,0|0,0,2]=4 12422 B13R0.88 C=CCC(C)COCCCOC(=O)C 34a_100009832082_100000042594 [0,2,0,0,0,0|0,0,2]=4 12423 B13R0.88 C=CCC(C)COCCCOC(=O)C 7a_100009832082_100000042594 [0,2,0,0,0,0|0,0,2]=4 12424 B13R0.88 C=CCN(C)CCCCCOC(=O)C 2230a_100000225617_100009813381 [0,2,0,0,0,0|0,0,2]=4 12425 B13R0.88 C=CCN(C)CCCCCOC(=O)C 269982a_100000225617_100000033007 [0,2,0,0,0,0|0,0,2]=4 12426 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 34a_100000731007_100000033659 [0,2,0,0,0,0|0,0,2]=4 12427 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 7a_100000731007_100000033659 [0,2,0,0,0,0|0,0,2]=4 12428 B13R0.88 C=CC[C@@H](N)COCCCOC(=O)C 34a_100020615467_100000042594 [0,2,0,0,0,0|0,0,2]=4 12429 B13R0.88 CC#CC(=O)CCCCCOC(=O)C 1458a_100000763181_100000033007 [0,2,0,0,0,0|0,0,2]=4 12430 B13R0.88 CC#CC(C)OCCCCOC(=O)C 34a_100011216543_100000033659 [0,2,0,0,0,0|0,0,2]=4 12431 B13R0.88 CC(=O)CCCCOCC(C)CCN 34a_106354213184_100009817362 [0,2,0,0,0,0|2,0,0]=4 12432 B13R0.88 CC(=O)NCCCCCC(=O)CCF 1458a_100000183861_100011217306 [0,2,0,0,0,0|1,0,1]=4 12433 B13R0.88 CC(=O)NCCCCCC(=O)CCO 1458a_100000183861_100000211926 [0,2,0,0,0,0|1,0,1]=4 12434 B13R0.88 CC(=O)NCCCCNC(C)CCO 2230a_200011368371_100009893172 [0,2,0,0,0,0|2,0,0]=4 12435 B13R0.88 CC(=O)NCCCCNC(C)CCO 34a_200011368371_100009893172 [0,2,0,0,0,0|2,0,0]=4 12436 B13R0.88 CC(=O)OCCCCCC(=O)CC#N 1458a_100051588842_100000033007 [0,2,0,0,0,0|0,0,2]=4 12437 B13R0.88 CC(=O)OCCCCCC(=O)CCO 1458a_100011216618_100000033007 [0,2,0,0,0,0|0,0,1]=3 12438 B13R0.88 CC(=O)OCCCCCN(C)CC#N 2230a_100000748184_100009813381 [0,2,0,0,0,0|1,0,1]=4 12439 B13R0.88 CC(=O)OCCCCCN(C)CCO 2230a_100000210263_100009813381 [0,2,0,0,0,0|1,0,0]=3 12440 B13R0.88 CC(=O)OCCCCCN(C)CCO 269982a_100000210263_100000033007 [0,2,0,0,0,0|1,0,0]=3 12441 B13R0.88 CC(=O)OCCCCN[C@H](C)CCO 34a_100000706166_100000033659 [0,2,0,0,0,0|1,0,0]=3 12442 B13R0.88 CC(=O)OCCCCOC(C)CC#N 7a_100000073216_100009813641 [0,2,0,0,0,0|1,0,1]=4 12443 B13R0.88 CC(=O)OCCCCOC(C)CCBr 34a_100012276601_100000033659 [0,2,0,0,0,0|1,0,0]=3 12444 B13R0.88 CC(=O)OCCCCOC(C)CCO 34a_100000073216_100009893172 [0,2,0,0,0,0|1,0,0]=3 12445 B13R0.88 CC(=O)OCCCCOC(C)CCO 7a_100000073216_100009893172 [0,2,0,0,0,0|1,0,0]=3 12446 B13R0.88 CC(=O)OCCCCSC(C)CC#N 62a_100000033659_100009813641 [0,2,0,0,0,0|1,0,1]=4 12447 B13R0.88 CC(=O)OCCCCSC(C)CC#N 62a_100009813641_100000033659 [0,2,0,0,0,0|1,0,1]=4 12448 B13R0.88 CC(=O)OCCCCSC(C)CCO 62a_100000033659_100009893172 [0,2,0,0,0,0|1,0,0]=3 12449 B13R0.88 CC(=O)OCCCCSC(C)CCO 62a_100009893172_100000033659 [0,2,0,0,0,0|1,0,0]=3 12450 B13R0.88 CC(=O)OCCCOCC(C)CCN 34a_106354213184_100000042594 [0,2,0,0,0,0|1,0,0]=3 12451 B13R0.88 CC(=O)OCCCSC[C@@H](O)CC#N 62a_100000001066_100000042594 [0,2,0,0,0,0|1,0,1]=4 12452 B13R0.88 CC(=O)OCCCSC[C@@H](O)CC#N 62a_100000042594_100000001066 [0,2,0,0,0,0|1,0,1]=4 12453 B13R0.88 CC(=O)OCCOCCC(=O)CCO 1458a_100011216618_200000083610 [0,2,0,0,0,0|1,0,1]=4 12454 B13R0.88 CC(=O)OCCOCCN(C)CCO 2230a_100000210263_200000083610 [0,2,0,0,0,0|2,0,0]=4 12455 B13R0.88 CC(=O)OCCOCCN(C)CCO 269982a_100000210263_200000083610 [0,2,0,0,0,0|2,0,0]=4 12456 B13R0.88 CC(=O)OCCOCN[C@H](C)CCO 34a_100000706166_100000076355 [0,2,0,0,0,0|2,0,0]=4 12457 B13R0.88 CC(=O)OCCOCOC(C)CCBr 34a_100012276601_100000076355 [0,2,0,0,0,0|2,0,0]=4 12458 B13R0.88 CC(=O)OCCOCSC(C)CCO 62a_100000076355_100009893172 [0,2,0,0,0,0|2,0,0]=4 12459 B13R0.88 CC(=O)OCCOCSC(C)CCO 62a_100009893172_100000076355 [0,2,0,0,0,0|2,0,0]=4 12460 B13R0.88 CC(=O)SCCCCN[C@H](C)CCO 2230a_100000706166_200010402107 [0,2,0,0,0,0|1,1,0]=4 12461 B13R0.88 CC(=O)SCCCCN[C@H](C)CCO 34a_100000706166_200010402107 [0,2,0,0,0,0|1,1,0]=4 12462 B13R0.88 CC(=O)SCCCCOC(C)CCBr 34a_100012276601_200010402107 [0,2,0,0,0,0|1,1,0]=4 12463 B13R0.88 CC(=O)SCCCCSC(C)CCO 62a_100009893172_200010402107 [0,2,0,0,0,0|1,1,0]=4 12464 B13R0.88 CC(=O)SCCCCSC(C)CCO 62a_200010402107_100009893172 [0,2,0,0,0,0|1,1,0]=4 12465 B13R0.88 CC(=O)SCCCOCC(C)CCN 34a_106354213184_100000038929 [0,2,0,0,0,0|1,1,0]=4 12466 B13R0.88 CC(=S)OCCCOCC(C)CCN 34a_106354213184_200135323944 [0,2,0,0,0,0|1,1,0]=4 12467 B13R0.88 CC=CC(=O)CCCCCOC(=O)C 1458a_100000210699_100000033007 [0,2,0,0,0,0|0,0,2]=4 12468 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,2,0,0,0,0|1,0,0]=3 12469 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,2,0,0,0,0|0,0,0]=2 12470 B13R0.88 CCCC(=O)CCOCCOC(=O)C 1458a_100000211992_200000083610 [0,2,0,0,0,0|0,0,1]=3 12471 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,2,0,0,0,0|1,0,1]=4 12472 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,2,0,0,0,0|1,0,1]=4 12473 B13R0.88 CCCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747444 [0,2,0,0,0,0|0,0,1]=3 12474 B13R0.88 CCCC(=O)CSCCCOC(=O)C 62a_100000747444_100000042594 [0,2,0,0,0,0|0,0,1]=3 12475 B13R0.88 CCCC(=O)CSCCCOC(=S)C 62a_100000747444_200135323944 [0,2,0,0,0,0|0,1,1]=4 12476 B13R0.88 CCCC(=O)CSCCCOC(=S)C 62a_200135323944_100000747444 [0,2,0,0,0,0|0,1,1]=4 12477 B13R0.88 CCCC(=O)CSCCCSC(=O)C 62a_100000038929_100000747444 [0,2,0,0,0,0|0,1,1]=4 12478 B13R0.88 CCCC(=O)CSCCCSC(=O)C 62a_100000747444_100000038929 [0,2,0,0,0,0|0,1,1]=4 12479 B13R0.88 CCCC(=O)NCCCCNC(=O)C 11a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 12480 B13R0.88 CCCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 12481 B13R0.88 CCCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 12482 B13R0.88 CCCC(=O)NCCCCNC(=O)C 527a_200011368371_100000211992 [0,2,0,0,0,0|1,0,1]=4 12483 B13R0.88 CCCC(=O)OCSCCOC(=O)C 62a_100009814007_100000034017 [0,2,0,0,0,0|1,0,1]=4 12484 B13R0.88 CCCC(C)CCCOCC=C(C)C 34a_100011713154_100000761012 [0,2,0,0,0,0|2,0,0]=4 12485 B13R0.88 CCCC(C)CCCOCC=C(C)C 7a_100011713154_100000761012 [0,2,0,0,0,0|2,0,0]=4 12486 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [0,2,0,0,0,0|1,0,0]=3 12487 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [0,2,0,0,0,0|2,0,0]=4 12488 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [0,2,0,0,0,0|2,0,0]=4 12489 B13R0.88 CCCC(C)CCCOCOC(=O)C 34a_100011713154_100009813279 [0,2,0,0,0,0|0,0,0]=2 12490 B13R0.88 CCCC(C)CCCOCOC(C)C 34a_100011713154_100000709892 [0,2,0,0,0,0|1,0,1]=4 12491 B13R0.88 CCCC(C)CCOCCC=C(C)C 34a_100011217855_100011217483 [0,2,0,0,0,0|2,0,0]=4 12492 B13R0.88 CCCC(C)CCOCCC=C(C)C 7a_100011217855_100011217483 [0,2,0,0,0,0|2,0,0]=4 12493 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [0,2,0,0,0,0|1,0,0]=3 12494 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [0,2,0,0,0,0|1,0,0]=3 12495 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [0,2,0,0,0,0|2,0,0]=4 12496 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [0,2,0,0,0,0|2,0,0]=4 12497 B13R0.88 CCCC(C)CCOCCNC(=O)C 7a_100011217855_100000189650 [0,2,0,0,0,0|1,0,0]=3 12498 B13R0.88 CCCC(C)CCOCCNC(=O)N 7a_100011217855_200000034859 [0,2,0,0,0,0|2,0,0]=4 12499 B13R0.88 CCCC(C)CCOCCOC(=O)C 34a_100011217855_100009814007 [0,2,0,0,0,0|0,0,0]=2 12500 B13R0.88 CCCC(C)CCOCCOC(=O)C 7a_100011217855_100009814007 [0,2,0,0,0,0|0,0,0]=2 12501 B13R0.88 CCCC(C)CCOCCOC(=O)N 34a_100011217855_200011214921 [0,2,0,0,0,0|1,0,0]=3 12502 B13R0.88 CCCC(C)CCOCCOC(=O)N 7a_100011217855_200011214921 [0,2,0,0,0,0|1,0,0]=3 12503 B13R0.88 CCCC(C)CCOCCOC(C)C 34a_100011217855_100000211751 [0,2,0,0,0,0|1,0,1]=4 12504 B13R0.88 CCCC(C)CCOCCOC(C)C 7a_100011217855_100000211751 [0,2,0,0,0,0|1,0,1]=4 12505 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [0,2,0,0,0,0|2,0,0]=4 12506 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [0,2,0,0,0,0|2,0,0]=4 12507 B13R0.88 CCCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243154 [0,2,0,0,0,0|1,0,0]=3 12508 B13R0.88 CCCC(C)CNCCCNC(=O)C 34a_100000736810_100011216630 [0,2,0,0,0,0|1,0,0]=3 12509 B13R0.88 CCCC(C)CNCCCOC(C)C 2230a_100000737246_100011216630 [0,2,0,0,0,0|1,0,1]=4 12510 B13R0.88 CCCC(C)CNCCCOC(C)C 270004a_100000737246_100000243154 [0,2,0,0,0,0|1,0,1]=4 12511 B13R0.88 CCCC(C)CNCCCOC(C)C 34a_100000737246_100011216630 [0,2,0,0,0,0|1,0,1]=4 12512 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,2,0,0,0,0|2,0,0]=4 12513 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [0,2,0,0,0,0|1,0,0]=3 12514 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [0,2,0,0,0,0|1,0,0]=3 12515 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [0,2,0,0,0,0|2,0,0]=4 12516 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [0,2,0,0,0,0|2,0,0]=4 12517 B13R0.88 CCCC(C)COCCCNC(=O)C 34a_100000752032_100011216630 [0,2,0,0,0,0|1,0,0]=3 12518 B13R0.88 CCCC(C)COCCCOC(=O)C 34a_100000688023_100000042594 [0,2,0,0,0,0|0,0,0]=2 12519 B13R0.88 CCCC(C)COCCCOC(=O)C 7a_100000688023_100000042594 [0,2,0,0,0,0|0,0,0]=2 12520 B13R0.88 CCCC(C)COCCCOC(=S)C 34a_100000688023_200135323944 [0,2,0,0,0,0|0,1,0]=3 12521 B13R0.88 CCCC(C)COCCCOC(=S)C 7a_100000688023_200135323944 [0,2,0,0,0,0|0,1,0]=3 12522 B13R0.88 CCCC(C)COCCCSC(=O)C 34a_100000688023_100000038929 [0,2,0,0,0,0|0,1,0]=3 12523 B13R0.88 CCCC(C)COCCCSC(=O)C 7a_100000688023_100000038929 [0,2,0,0,0,0|0,1,0]=3 12524 B13R0.88 CCCC(C)COCCOCC(=O)N 34a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 12525 B13R0.88 CCCC(C)COCCOCC(=O)N 7a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 12526 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [0,2,0,0,0,0|1,0,0]=3 12527 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [0,2,0,0,0,0|1,0,0]=3 12528 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100000042594_100011216630 [0,2,0,0,0,0|0,0,0]=2 12529 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100011216630_100000042594 [0,2,0,0,0,0|0,0,0]=2 12530 B13R0.88 CCCC(C)CSCCCOC(=S)C 62a_100011216630_200135323944 [0,2,0,0,0,0|0,1,0]=3 12531 B13R0.88 CCCC(C)CSCCCOC(=S)C 62a_200135323944_100011216630 [0,2,0,0,0,0|0,1,0]=3 12532 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100000038929_100011216630 [0,2,0,0,0,0|0,1,0]=3 12533 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100011216630_100000038929 [0,2,0,0,0,0|0,1,0]=3 12534 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100000076697_100011216630 [0,2,0,0,0,0|2,0,0]=4 12535 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100011216630_100000076697 [0,2,0,0,0,0|2,0,0]=4 12536 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [0,2,0,0,0,0|2,0,0]=4 12537 B13R0.88 CCCC(C)NCCCCNC(=O)C 2230a_200011368371_100000766640 [0,2,0,0,0,0|1,0,0]=3 12538 B13R0.88 CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211909 [0,2,0,0,0,0|1,0,0]=3 12539 B13R0.88 CCCC(C)NCCCCNC(=O)C 34a_200011368371_100000766640 [0,2,0,0,0,0|1,0,0]=3 12540 B13R0.88 CCCC(C)NCCCCSC(=O)C 2230a_100000741246_200010402107 [0,2,0,0,0,0|0,1,0]=3 12541 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [0,2,0,0,0,0|2,0,0]=4 12542 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [0,2,0,0,0,0|2,0,0]=4 12543 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [0,2,0,0,0,0|2,0,0]=4 12544 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [0,2,0,0,0,0|2,0,0]=4 12545 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [0,2,0,0,0,0|2,0,0]=4 12546 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000073216_100000766640 [0,2,0,0,0,0|0,0,0]=2 12547 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000764384_100000033659 [0,2,0,0,0,0|0,0,0]=2 12548 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000073216_100000766640 [0,2,0,0,0,0|0,0,0]=2 12549 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000764384_100000033659 [0,2,0,0,0,0|0,0,0]=2 12550 B13R0.88 CCCC(C)OCCCCO[N+](=O)[O-] 34a_100000764384_100015694321 [0,2,0,0,0,0|2,0,0]=4 12551 B13R0.88 CCCC(C)OCCCCO[N+](=O)[O-] 7a_100000764384_100015694321 [0,2,0,0,0,0|2,0,0]=4 12552 B13R0.88 CCCC(C)OCCCCSC(=O)C 34a_100000764384_200010402107 [0,2,0,0,0,0|0,1,0]=3 12553 B13R0.88 CCCC(C)OCCCCSC(=O)C 7a_100000764384_200010402107 [0,2,0,0,0,0|0,1,0]=3 12554 B13R0.88 CCCC(C)OCOCCOC(=O)C 34a_100000764384_100000076355 [0,2,0,0,0,0|1,0,0]=3 12555 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [0,2,0,0,0,0|2,0,0]=4 12556 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [0,2,0,0,0,0|2,0,0]=4 12557 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000033659_100000766640 [0,2,0,0,0,0|0,0,0]=2 12558 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000766640_100000033659 [0,2,0,0,0,0|0,0,0]=2 12559 B13R0.88 CCCC(C)SCCCCO[N+](=O)[O-] 62a_100000766640_100015694321 [0,2,0,0,0,0|2,0,0]=4 12560 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_100000766640_200010402107 [0,2,0,0,0,0|0,1,0]=3 12561 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_200010402107_100000766640 [0,2,0,0,0,0|0,1,0]=3 12562 B13R0.88 CCCC(C)SCOCCOC(=O)C 62a_100000076355_100000766640 [0,2,0,0,0,0|1,0,0]=3 12563 B13R0.88 CCCC(C)SCOCCOC(=O)C 62a_100000766640_100000076355 [0,2,0,0,0,0|1,0,0]=3 12564 B13R0.88 CCCN(C)CCCCCOC(=O)C 2230a_100000747261_100009813381 [0,2,0,0,0,0|0,0,0]=2 12565 B13R0.88 CCCN(C)CCCCCOC(=O)C 269982a_100000747261_100000033007 [0,2,0,0,0,0|0,0,0]=2 12566 B13R0.88 CCCN(C)CCOCCOC(=O)C 2230a_100000747261_200000083610 [0,2,0,0,0,0|1,0,0]=3 12567 B13R0.88 CCCN(C)CCOCCOC(=O)C 269982a_100000747261_200000083610 [0,2,0,0,0,0|1,0,0]=3 12568 B13R0.88 CCC[C@H](N)CCOCCC=C(C)C 34a_100015193777_100011217483 [0,2,0,0,0,0|2,0,0]=4 12569 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [0,2,0,0,0,0|1,0,0]=3 12570 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [0,2,0,0,0,0|2,0,0]=4 12571 B13R0.88 CCC[C@H](N)CCOCCOC(=O)C 34a_100015193777_100009814007 [0,2,0,0,0,0|0,0,0]=2 12572 B13R0.88 CCC[C@H](N)CCOCCOC(=O)N 34a_100015193777_200011214921 [0,2,0,0,0,0|1,0,0]=3 12573 B13R0.88 CCC[C@H](N)CCOCCOC(C)C 34a_100015193777_100000211751 [0,2,0,0,0,0|1,0,1]=4 12574 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|1,0,0]=3 12575 B13R0.88 CCC[C@H](N)COCCCOC(=O)C 34a_100000732646_100000042594 [0,2,0,0,0,0|0,0,0]=2 12576 B13R0.88 CCC[C@H](N)COCCCOC(=S)C 34a_100000732646_200135323944 [0,2,0,0,0,0|0,1,0]=3 12577 B13R0.88 CCC[C@H](N)COCCCSC(=O)C 34a_100000732646_100000038929 [0,2,0,0,0,0|0,1,0]=3 12578 B13R0.88 CCC[C@H](N)COCCOCC(=O)N 34a_100000732646_100000076697 [0,2,0,0,0,0|2,0,0]=4 12579 B13R0.88 CCNC(=O)CCCCCNC(=O)C 11a_100015525214_100000183861 [0,2,0,0,0,0|1,0,1]=4 12580 B13R0.88 CCNC(=O)CCCCCNC(=O)C 240690a_100015525214_100000183861 [0,2,0,0,0,0|1,0,1]=4 12581 B13R0.88 CCNC(=O)CCNCCOC(=O)C 34a_100025743525_100009814007 [0,2,0,0,0,0|1,0,1]=4 12582 B13R0.88 CCNC(=O)CCSCCOC(=O)C 62a_100000737597_100009814007 [0,2,0,0,0,0|1,0,1]=4 12583 B13R0.88 CCNC(=O)CCSCCOC(=O)C 62a_100009814007_100000737597 [0,2,0,0,0,0|1,0,1]=4 12584 B13R0.88 CCNC(=O)CSCCCOC(=O)C 62a_100000042594_100000183381 [0,2,0,0,0,0|1,0,1]=4 12585 B13R0.88 CCNC(=O)CSCCCOC(=O)C 62a_100000183381_100000042594 [0,2,0,0,0,0|1,0,1]=4 12586 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|1,0,1]=4 12587 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|1,0,1]=4 12588 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|1,0,1]=4 12589 B13R0.88 CCOC(=O)CCCCCNC(=O)C 188690a_100000062434_100015343762 [0,2,0,0,0,0|1,0,1]=4 12590 B13R0.88 CCOC(=O)CCCCOCC(=O)C 34a_100000211253_100000750268 [0,2,0,0,0,0|1,0,1]=4 12591 B13R0.88 CCOC(=O)CCCSCOC(=O)C 62a_100000076356_100009991533 [0,2,0,0,0,0|1,0,1]=4 12592 B13R0.88 CCOC(=O)CCCSCOC(=O)C 62a_100009991533_100000076356 [0,2,0,0,0,0|1,0,1]=4 12593 B13R0.88 CCOC(=O)CCSCCOC(=O)C 62a_100000765890_100009814007 [0,2,0,0,0,0|1,0,1]=4 12594 B13R0.88 CCOC(=O)CCSCCOC(=O)C 62a_100009814007_100000765890 [0,2,0,0,0,0|1,0,1]=4 12595 B13R0.88 CCOC(=O)CSCCCOC(=O)C 62a_100000042594_100000188475 [0,2,0,0,0,0|1,0,1]=4 12596 B13R0.88 CCOC(=O)CSCCCOC(=O)C 62a_100000188475_100000042594 [0,2,0,0,0,0|1,0,1]=4 12597 B13R0.88 COCC(=O)CCCCCOC(=O)C 1458a_100000210968_100000033007 [0,2,0,0,0,0|0,0,1]=3 12598 B13R0.88 COCC(=O)CCOCCOC(=O)C 1458a_100000210968_200000083610 [0,2,0,0,0,0|1,0,1]=4 12599 B13R0.88 COCC(C)NCCCCNC(=O)C 2230a_200011368371_100000765312 [0,2,0,0,0,0|2,0,0]=4 12600 B13R0.88 COCC(C)NCCCCNC(=O)C 270004a_200011368371_100000749346 [0,2,0,0,0,0|2,0,0]=4 12601 B13R0.88 COCC(C)NCCCCNC(=O)C 34a_200011368371_100000765312 [0,2,0,0,0,0|2,0,0]=4 12602 B13R0.88 COCC(C)OCCCCOC(=O)C 34a_100000073216_100000765312 [0,2,0,0,0,0|1,0,0]=3 12603 B13R0.88 COCC(C)OCCCCOC(=O)C 7a_100000073216_100000765312 [0,2,0,0,0,0|1,0,0]=3 12604 B13R0.88 COCC(C)SCCCCOC(=O)C 62a_100000033659_100000765312 [0,2,0,0,0,0|1,0,0]=3 12605 B13R0.88 COCC(C)SCCCCOC(=O)C 62a_100000765312_100000033659 [0,2,0,0,0,0|1,0,0]=3 12606 B13R0.88 COCC(C)SCCCCSC(=O)C 62a_100000765312_200010402107 [0,2,0,0,0,0|1,1,0]=4 12607 B13R0.88 COCC(C)SCCCCSC(=O)C 62a_200010402107_100000765312 [0,2,0,0,0,0|1,1,0]=4 12608 B13R0.88 COCC(C)SCOCCOC(=O)C 62a_100000076355_100000765312 [0,2,0,0,0,0|2,0,0]=4 12609 B13R0.88 COCC(C)SCOCCOC(=O)C 62a_100000765312_100000076355 [0,2,0,0,0,0|2,0,0]=4 12610 B13R0.88 COCC(N)COCCCCC(=O)C 34a_100000724102_100009817362 [0,2,0,0,0,0|2,0,0]=4 12611 B13R0.88 COCC(N)COCCCOC(=O)C 34a_100000724102_100000042594 [0,2,0,0,0,0|1,0,0]=3 12612 B13R0.88 COCC(N)COCCCOC(=S)C 34a_100000724102_200135323944 [0,2,0,0,0,0|1,1,0]=4 12613 B13R0.88 COCC(N)COCCCSC(=O)C 34a_100000724102_100000038929 [0,2,0,0,0,0|1,1,0]=4 12614 B13R0.88 COCC(O)CNCCCCC(=O)C 34a_100000756049_100009817362 [0,2,0,0,0,0|2,0,0]=4 12615 B13R0.88 COCC(O)CNCCCNC(=O)C 34a_100000736810_100011215053 [0,2,0,0,0,0|2,0,0]=4 12616 B13R0.88 COCC(O)CNCCCOC(=O)C 34a_100000756049_100000042594 [0,2,0,0,0,0|1,0,0]=3 12617 B13R0.88 COCC(O)CNCCCOC(=S)C 2230a_100000756049_200135323944 [0,2,0,0,0,0|1,1,0]=4 12618 B13R0.88 COCC(O)CNCCCOC(=S)C 34a_100000756049_200135323944 [0,2,0,0,0,0|1,1,0]=4 12619 B13R0.88 COCC(O)CNCCCSC(=O)C 2230a_100000756049_100000038929 [0,2,0,0,0,0|1,1,0]=4 12620 B13R0.88 COCC(O)CNCCCSC(=O)C 34a_100000756049_100000038929 [0,2,0,0,0,0|1,1,0]=4 12621 B13R0.88 COCC(O)COCCCNC(=O)C 34a_100000752032_100011215053 [0,2,0,0,0,0|2,0,0]=4 12622 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100000735457_100011215053 [0,2,0,0,0,0|2,0,0]=4 12623 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100011215053_100000735457 [0,2,0,0,0,0|2,0,0]=4 12624 B13R0.88 COCC(O)CSCCCOC(=O)C 62a_100000042594_100011215053 [0,2,0,0,0,0|1,0,0]=3 12625 B13R0.88 COCC(O)CSCCCOC(=O)C 62a_100011215053_100000042594 [0,2,0,0,0,0|1,0,0]=3 12626 B13R0.88 COCC(O)CSCCCOC(=S)C 62a_100011215053_200135323944 [0,2,0,0,0,0|1,1,0]=4 12627 B13R0.88 COCC(O)CSCCCOC(=S)C 62a_200135323944_100011215053 [0,2,0,0,0,0|1,1,0]=4 12628 B13R0.88 COCC(O)CSCCCSC(=O)C 62a_100000038929_100011215053 [0,2,0,0,0,0|1,1,0]=4 12629 B13R0.88 COCC(O)CSCCCSC(=O)C 62a_100011215053_100000038929 [0,2,0,0,0,0|1,1,0]=4 12630 B13R0.88 COC[C@@H](C)NCCCCSC(=O)C 2230a_100000764878_200010402107 [0,2,0,0,0,0|1,1,0]=4 12631 B13R0.88 COC[C@@H](C)OCCCCOC(=O)C 34a_100011934205_100000033659 [0,2,0,0,0,0|1,0,0]=3 12632 B13R0.88 COC[C@@H](C)OCCCCSC(=O)C 34a_100011934205_200010402107 [0,2,0,0,0,0|1,1,0]=4 12633 B13R0.88 COC[C@@H](C)OCOCCOC(=O)C 34a_100011934205_100000076355 [0,2,0,0,0,0|2,0,0]=4 12634 B13R0.88 CSCC(=O)CCCCCOC(=O)C 1458a_100000184570_100000033007 [0,2,0,0,0,0|0,0,1]=3 12635 B13R0.88 CSCC(=O)CCOCCOC(=O)C 1458a_100000184570_200000083610 [0,2,0,0,0,0|1,0,1]=4 12636 B13R0.88 CSCC(C)NCCCCNC(=O)C 270004a_200011368371_100011216314 [0,2,0,0,0,0|2,0,0]=4 12637 B13R0.101 CC(=O)OCCCCC(=O)C(O)CO 1458a_100011215603_100000033659 [0,2,0,0,0,0|1,0,1]=4 12638 B13R0.101 CC(=O)OCCCCN(C)C(C)CO 269982a_100000693034_100000033659 [0,2,0,0,0,0|2,0,0]=4 12639 B13R0.101 CCC(=O)C(C)SCCCOC(=O)C 62a_100000042594_100000742827 [0,2,0,0,0,0|1,0,1]=4 12640 B13R0.101 CCC(=O)C(C)SCCCOC(=O)C 62a_100000742827_100000042594 [0,2,0,0,0,0|1,0,1]=4 12641 B13R0.101 CCC(C)C(=O)CCCCOC(=O)C 1458a_100011192722_100000033659 [0,2,0,0,0,0|0,0,1]=3 12642 B13R0.101 CCC(C)C(=O)CCCCSC(=O)C 1458a_100011192722_200010402107 [0,2,0,0,0,0|0,1,1]=4 12643 B13R0.101 CCC(C)C(C)NCCCNC(=O)C 269862a_100000736810_100000210599 [0,2,0,0,0,0|2,0,0]=4 12644 B13R0.101 CCC(C)C(C)NCCCNC(=O)C 270004a_100000736810_100000210599 [0,2,0,0,0,0|2,0,0]=4 12645 B13R0.101 CCC(C)C(C)OCCCCC(=O)C 7a_100011215189_100000735457 [0,2,0,0,0,0|2,0,0]=4 12646 B13R0.101 CCC(C)C(C)OCCCOC(=O)C 7a_100011215189_100000042594 [0,2,0,0,0,0|1,0,0]=3 12647 B13R0.101 CCC(C)C(C)OCCCOC(=S)C 7a_100011215189_200135323944 [0,2,0,0,0,0|1,1,0]=4 12648 B13R0.101 CCC(C)C(C)OCCCSC(=O)C 7a_100011215189_100000038929 [0,2,0,0,0,0|1,1,0]=4 12649 B13R0.101 CCC(C)N(C)CCCCOC(=O)C 269982a_100000741768_100000033659 [0,2,0,0,0,0|1,0,0]=3 12650 B13R0.101 CCC(C)N(C)CCCCSC(=O)C 2230a_100000741768_200010402107 [0,2,0,0,0,0|1,1,0]=4 12651 B13R0.101 CCC(C)N(C)CCCCSC(=O)C 269982a_100000741768_200010402107 [0,2,0,0,0,0|1,1,0]=4 12652 B13R0.101 CCC(C)N(C)COCCOC(=O)C 269982a_100000741768_100000076355 [0,2,0,0,0,0|2,0,0]=4 12653 B13R0.101 CCC(O)C(=O)CCCCOC(=O)C 1458a_100011196387_100000033659 [0,2,0,0,0,0|0,0,1]=3 12654 B13R0.101 CCC(O)C(=O)CCCCSC(=O)C 1458a_100011196387_200010402107 [0,2,0,0,0,0|0,1,1]=4 12655 B13R0.101 CCN(C)C(C)COCCOC(=O)C 7a_100000732741_100009814007 [0,2,0,0,0,0|2,0,0]=4 12656 B13R0.101 COC(C)C(=O)CCCCOC(=O)C 1458a_100000743197_100000033659 [0,2,0,0,0,0|1,0,1]=4 12657 B13R0.101 CSC(C)C(=O)CCCCOC(=O)C 1458a_100000149566_100000033659 [0,2,0,0,0,0|1,0,1]=4 12658 B13R0.180 C=C(C)C(=O)CCCCCOC(=O)C 1458a_100000185857_100000033007 [0,2,0,0,0,0|0,0,2]=4 12659 B13R0.180 CC(=O)C(=O)COCCCCC(C)C 34a_100011214890_100011261029 [0,2,0,0,0,0|2,0,0]=4 12660 B13R0.180 CC(=O)C(=O)CSCCCCC(C)C 62a_100011216152_100011261029 [0,2,0,0,0,0|2,0,0]=4 12661 B13R0.180 CC(=O)C(=O)CSCCCCC(C)C 62a_100011261029_100011216152 [0,2,0,0,0,0|2,0,0]=4 12662 B13R0.180 CC(=O)C(C)COCCCCC(C)C 34a_100000032740_100011216152 [0,2,0,0,0,0|2,0,0]=4 12663 B13R0.180 CC(=O)C(C)COCCCCC(C)C 7a_100000032740_100011216152 [0,2,0,0,0,0|2,0,0]=4 12664 B13R0.180 CC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100009814033 [0,2,0,0,0,0|2,0,0]=4 12665 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 34a_100000212229_100000210682 [0,2,0,0,0,0|2,0,0]=4 12666 B13R0.180 CC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100000179758 [0,2,0,0,0,0|2,0,0]=4 12667 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100009814033 [0,2,0,0,0,0|2,0,0]=4 12668 B13R0.180 CC(=O)C(C)SCCCCCC(C)C 62a_100009814033_100000210682 [0,2,0,0,0,0|2,0,0]=4 12669 B13R0.180 CC(=O)CCCCNCC(O)C(C)C 34a_100000759067_100009817362 [0,2,0,0,0,0|2,0,0]=4 12670 B13R0.180 CC(=O)CCCCOC[C@H](N)C(C)C 34a_100011830312_100009817362 [0,2,0,0,0,0|2,0,0]=4 12671 B13R0.180 CC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100000685027 [0,2,0,0,0,0|2,0,0]=4 12672 B13R0.180 CC(=O)NCCCCCC(=O)C(C)C 1458a_100000183861_100000210206 [0,2,0,0,0,0|1,0,1]=4 12673 B13R0.180 CC(=O)OCCCCCC(=O)C(C)C 1458a_100000210198_100000033007 [0,2,0,0,0,0|0,0,1]=3 12674 B13R0.180 CC(=O)OCCCCCC(=O)C(C)F 1458a_100000062450_100000033007 [0,2,0,0,0,0|0,0,1]=3 12675 B13R0.180 CC(=O)OCCCCCC(=O)C(O)O 1458a_100000233687_100000033007 [0,2,0,0,0,0|1,0,1]=4 12676 B13R0.180 CC(=O)OCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033007 [0,2,0,0,0,0|0,0,1]=3 12677 B13R0.180 CC(=O)OCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033007 [0,2,0,0,0,0|0,0,1]=3 12678 B13R0.180 CC(=O)OCCCCCN(C)C(C)C 269982a_200000211004_100000033007 [0,2,0,0,0,0|1,0,0]=3 12679 B13R0.180 CC(=O)OCCCCOC(C)C(=O)C 34a_100000212229_100000033659 [0,2,0,0,0,0|1,0,1]=4 12680 B13R0.180 CC(=O)OCCCCOC(C)C(=O)C 7a_100000073216_100000179758 [0,2,0,0,0,0|1,0,1]=4 12681 B13R0.180 CC(=O)OCCCCOC(C)C(C)C 7a_100000748068_100000033659 [0,2,0,0,0,0|1,0,0]=3 12682 B13R0.180 CC(=O)OCCCCSC(C)C(=O)C 62a_100000033659_100009814033 [0,2,0,0,0,0|1,0,1]=4 12683 B13R0.180 CC(=O)OCCCCSC(C)C(=O)C 62a_100009814033_100000033659 [0,2,0,0,0,0|1,0,1]=4 12684 B13R0.180 CC(=O)OCCCNCC(O)C(C)C 34a_100000759067_100000042594 [0,2,0,0,0,0|1,0,0]=3 12685 B13R0.180 CC(=O)OCCCOCC(C)C(=O)C 34a_100000032740_100000042594 [0,2,0,0,0,0|1,0,1]=4 12686 B13R0.180 CC(=O)OCCCOCC(C)C(=O)C 7a_100000032740_100000042594 [0,2,0,0,0,0|1,0,1]=4 12687 B13R0.180 CC(=O)OCCCOC[C@H](N)C(C)C 34a_100011830312_100000042594 [0,2,0,0,0,0|1,0,0]=3 12688 B13R0.180 CC(=O)OCCCSCC(=O)C(C)C 62a_100000042594_100000753385 [0,2,0,0,0,0|1,0,1]=4 12689 B13R0.180 CC(=O)OCCCSCC(=O)C(C)C 62a_100000753385_100000042594 [0,2,0,0,0,0|1,0,1]=4 12690 B13R0.180 CC(=O)OCCOCCC(=O)C(C)C 1458a_100000210198_200000083610 [0,2,0,0,0,0|1,0,1]=4 12691 B13R0.180 CC(=O)OCCOCCC(=O)C(C)F 1458a_100000062450_200000083610 [0,2,0,0,0,0|1,0,1]=4 12692 B13R0.180 CC(=O)OCCOCCC(=O)[C@@H](C)O 1458a_100000717761_200000083610 [0,2,0,0,0,0|1,0,1]=4 12693 B13R0.180 CC(=O)OCCOCCC(=O)[C@H](C)O 1458a_217856618621_200000083610 [0,2,0,0,0,0|1,0,1]=4 12694 B13R0.180 CC(=O)OCCOCCC(N)C(C)C 34a_100161115045_100009814007 [0,2,0,0,0,0|1,0,0]=3 12695 B13R0.180 CC(=O)OCCOCCN(C)C(C)C 269982a_200000211004_200000083610 [0,2,0,0,0,0|2,0,0]=4 12696 B13R0.180 CC(=O)SCCCCNC(C)C(C)C 2230a_100000211541_200010402107 [0,2,0,0,0,0|1,1,0]=4 12697 B13R0.180 CC(=O)SCCCCOC(C)C(C)C 7a_100000748068_200010402107 [0,2,0,0,0,0|1,1,0]=4 12698 B13R0.180 CC(=O)SCCCNCC(O)C(C)C 2230a_100000759067_100000038929 [0,2,0,0,0,0|1,1,0]=4 12699 B13R0.180 CC(=O)SCCCNCC(O)C(C)C 34a_100000759067_100000038929 [0,2,0,0,0,0|1,1,0]=4 12700 B13R0.180 CC(=O)SCCCOC[C@H](N)C(C)C 34a_100011830312_100000038929 [0,2,0,0,0,0|1,1,0]=4 12701 B13R0.180 CC(=S)OCCCNCC(O)C(C)C 2230a_100000759067_200135323944 [0,2,0,0,0,0|1,1,0]=4 12702 B13R0.180 CC(=S)OCCCNCC(O)C(C)C 34a_100000759067_200135323944 [0,2,0,0,0,0|1,1,0]=4 12703 B13R0.180 CC(=S)OCCCOC[C@H](N)C(C)C 34a_100011830312_200135323944 [0,2,0,0,0,0|1,1,0]=4 12704 B13R0.180 CC(C)C(N)CCOCCOC(=O)N 34a_100161115045_200011214921 [0,2,0,0,0,0|2,0,0]=4 12705 B13R0.201 C=CC(=O)OCCNCCC(C)CC 2230a_100020591266_100009813456 [0,2,0,0,0,0|1,0,1]=4 12706 B13R0.201 C=CC(=O)OCCOCCC(C)CC 7a_100011215188_100009813456 [0,2,0,0,0,0|1,0,1]=4 12707 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [0,2,0,0,0,0|1,0,1]=4 12708 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [0,2,0,0,0,0|1,0,1]=4 12709 B13R0.201 CCC(C)CCCCCOC(C)C#N 7a_200000035636_100000703298 [0,2,0,0,0,0|1,0,1]=4 12710 B13R0.201 CCC(C)CCCCCOC(C)CC 7a_200000035636_100000758301 [0,2,0,0,0,0|1,0,1]=4 12711 B13R0.201 CCC(C)CCCCCOC(C)CO 7a_200000035636_100012180447 [0,2,0,0,0,0|0,0,2]=4 12712 B13R0.201 CCC(C)CCCOCCC(=O)NC 7a_100011216074_100000737683 [0,2,0,0,0,0|2,0,0]=4 12713 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [0,2,0,0,0,0|2,0,0]=4 12714 B13R0.201 CCC(C)CCNCCCC(=O)NC 2230a_100020591266_100000741757 [0,2,0,0,0,0|2,0,0]=4 12715 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [0,2,0,0,0,0|2,0,0]=4 12716 B13R0.201 CCC(C)CCOCCCC(=O)NC 7a_100011215188_100000741757 [0,2,0,0,0,0|2,0,0]=4 12717 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [0,2,0,0,0,0|2,0,0]=4 12718 B13R0.201 CCC(C)CCOCCOC(=O)NC 7a_100011215188_200011997002 [0,2,0,0,0,0|1,0,0]=3 12719 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [0,2,0,0,0,0|2,0,0]=4 12720 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [0,2,0,0,0,0|2,0,0]=4 12721 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [0,2,0,0,0,0|2,0,0]=4 12722 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [0,2,0,0,0,0|2,0,0]=4 12723 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [0,2,0,0,0,0|2,0,0]=4 12724 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [0,2,0,0,0,0|2,0,0]=4 12725 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [0,2,0,0,0,0|2,0,0]=4 12726 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [0,2,0,0,0,0|2,0,0]=4 12727 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [0,2,0,0,0,0|2,0,0]=4 12728 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [0,2,0,0,0,0|2,0,0]=4 12729 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [0,2,0,0,0,0|2,0,0]=4 12730 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [0,2,0,0,0,0|2,0,0]=4 12731 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [0,2,0,0,0,0|2,0,0]=4 12732 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [0,2,0,0,0,0|2,0,0]=4 12733 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [0,2,0,0,0,0|2,0,0]=4 12734 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [0,2,0,0,0,0|2,0,0]=4 12735 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [0,2,0,0,0,0|2,0,0]=4 12736 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [0,2,0,0,0,0|2,0,0]=4 12737 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [0,2,0,0,0,0|2,0,0]=4 12738 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [0,2,0,0,0,0|2,0,0]=4 12739 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [0,2,0,0,0,0|2,0,0]=4 12740 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [0,2,0,0,0,0|2,0,0]=4 12741 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [0,2,0,0,0,0|2,0,0]=4 12742 B13R0.201 CNC(=O)OCCNCCC(C)CO 34a_106354213184_200011997002 [0,2,0,0,0,0|2,0,0]=4 12743 B13R0.201 CNC(=O)OCCOCCC(C)OC 7a_100000764861_200011997002 [0,2,0,0,0,0|2,0,0]=4 12744 B13R0.208 CC(=O)OCC(C)NCCC(C)CO 270004a_106354213184_100000000629 [0,2,0,0,0,0|2,0,0]=4 12745 B13R0.208 CC(=O)OCC(O)CNCC(C)CO 34a_100000744482_200000139349 [0,2,0,0,0,0|2,0,0]=4 12746 B13R0.208 CC(=O)OCC(O)CNC[C@@H](F)CO 34a_100015665980_200000139349 [0,2,0,0,0,0|2,0,0]=4 12747 B13R0.208 CC(=O)OCC(O)COCC(C)CN 34a_100000744482_200000139349 [0,2,0,0,0,0|2,0,0]=4 12748 B13R0.208 CC(=O)OCC(O)COCC(Cl)CCl 34a_100000033668_200000139349 [0,2,0,0,0,0|2,0,0]=4 12749 B13R0.208 CC(=O)OCC(O)COC[C@H](F)CN 34a_100015665980_200000139349 [0,2,0,0,0,0|2,0,0]=4 12750 B13R0.208 CC(=O)OCC(O)CSCC(O)CO 62a_100011219619_200000139349 [0,2,0,0,0,0|2,0,0]=4 12751 B13R0.208 CC(=O)OCC(O)CSCC(O)CO 62a_200000139349_100011219619 [0,2,0,0,0,0|2,0,0]=4 12752 B13R0.208 CC(=O)OCC(O)CSC[C@@H](C)CO 62a_100000059175_200000139349 [0,2,0,0,0,0|2,0,0]=4 12753 B13R0.208 CC(=O)OCC(O)CSC[C@@H](C)CO 62a_200000139349_100000059175 [0,2,0,0,0,0|2,0,0]=4 12754 B13R0.208 CC(=O)OCC(O)CSC[C@@H](O)CF 62a_100015614560_200000139349 [0,2,0,0,0,0|2,0,0]=4 12755 B13R0.208 CC(=O)OCC(O)CSC[C@@H](O)CF 62a_200000139349_100015614560 [0,2,0,0,0,0|2,0,0]=4 12756 B13R0.208 CC(=O)OCC(O)CSC[C@@H](O)CO 62a_100009815848_200000139349 [0,2,0,0,0,0|2,0,0]=4 12757 B13R0.208 CC(=O)OCC(O)CSC[C@@H](O)CO 62a_200000139349_100009815848 [0,2,0,0,0,0|2,0,0]=4 12758 B13R0.208 CCC(=O)COCC(O)COC(=O)C 34a_100000725409_200000139349 [0,2,0,0,0,0|1,0,1]=4 12759 B13R0.208 CCC(=O)CSCC(O)COC(=O)C 62a_100000747405_200000139349 [0,2,0,0,0,0|1,0,1]=4 12760 B13R0.208 CCC(=O)CSCC(O)COC(=O)C 62a_200000139349_100000747405 [0,2,0,0,0,0|1,0,1]=4 12761 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 1626a_100020591266_100000183556 [0,2,0,0,0,0|1,0,1]=4 12762 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 240690a_100020591266_100000183556 [0,2,0,0,0,0|1,0,1]=4 12763 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 527a_100020591266_100000183556 [0,2,0,0,0,0|1,0,1]=4 12764 B13R0.208 CCC(C)CCNC(C)COC(=O)C 270004a_100020591266_100000000629 [0,2,0,0,0,0|1,0,0]=3 12765 B13R0.208 CCC(C)CNCC(C)CSC(=O)C 2230a_100020588543_200000116872 [0,2,0,0,0,0|1,1,0]=4 12766 B13R0.208 CCC(C)CSCC(=O)COC(=O)C 62a_100000036994_100000748023 [0,2,0,0,0,0|1,0,1]=4 12767 B13R0.208 CCC(C)CSCC(=O)COC(=O)C 62a_100000748023_100000036994 [0,2,0,0,0,0|1,0,1]=4 12768 B13R0.208 CCC(C)CSCC(C)CSC(=O)C 62a_100000748023_200000116872 [0,2,0,0,0,0|1,1,0]=4 12769 B13R0.208 CCC(C)CSCC(C)CSC(=O)C 62a_200000116872_100000748023 [0,2,0,0,0,0|1,1,0]=4 12770 B13R0.208 CCC(C)CSCC(O)COC(=O)C 62a_100000748023_200000139349 [0,2,0,0,0,0|1,0,0]=3 12771 B13R0.208 CCC(C)CSCC(O)COC(=O)C 62a_200000139349_100000748023 [0,2,0,0,0,0|1,0,0]=3 12772 B13R0.208 CCC(O)CNCC(C)CSC(=O)C 2230a_100011218483_200000116872 [0,2,0,0,0,0|1,1,0]=4 12773 B13R0.208 CCC(O)CSCC(=O)COC(=O)C 62a_100000036994_100011218378 [0,2,0,0,0,0|1,0,1]=4 12774 B13R0.208 CCC(O)CSCC(=O)COC(=O)C 62a_100011218378_100000036994 [0,2,0,0,0,0|1,0,1]=4 12775 B13R0.208 CCC(O)CSCC(C)CSC(=O)C 62a_100011218378_200000116872 [0,2,0,0,0,0|1,1,0]=4 12776 B13R0.208 CCC(O)CSCC(C)CSC(=O)C 62a_200000116872_100011218378 [0,2,0,0,0,0|1,1,0]=4 12777 B13R0.208 CCC(O)CSCC(O)COC(=O)C 62a_100011218378_200000139349 [0,2,0,0,0,0|1,0,0]=3 12778 B13R0.208 CCC(O)CSCC(O)COC(=O)C 62a_200000139349_100011218378 [0,2,0,0,0,0|1,0,0]=3 12779 B13R0.208 CCN(C)CCCC(=O)COC(=O)C 1458a_100000183556_100015186262 [0,2,0,0,0,0|1,0,1]=4 12780 B13R0.208 CC[C@H](C)COCC(C)CSC(=O)C 7a_100009816381_200000116872 [0,2,0,0,0,0|1,1,0]=4 12781 B13R0.208 CC[C@H](C)COCC(O)COC(=O)C 7a_100009816381_200000139349 [0,2,0,0,0,0|1,0,0]=3 12782 B13R0.208 CC[C@H](C)CSCC(=O)COC(=O)C 62a_100000036994_100009816398 [0,2,0,0,0,0|1,0,1]=4 12783 B13R0.208 CC[C@H](C)CSCC(=O)COC(=O)C 62a_100009816398_100000036994 [0,2,0,0,0,0|1,0,1]=4 12784 B13R0.208 CC[C@H](C)CSCC(C)CSC(=O)C 62a_100009816398_200000116872 [0,2,0,0,0,0|1,1,0]=4 12785 B13R0.208 CC[C@H](C)CSCC(C)CSC(=O)C 62a_200000116872_100009816398 [0,2,0,0,0,0|1,1,0]=4 12786 B13R0.208 CC[C@H](C)CSCC(O)COC(=O)C 62a_100009816398_200000139349 [0,2,0,0,0,0|1,0,0]=3 12787 B13R0.208 CC[C@H](C)CSCC(O)COC(=O)C 62a_200000139349_100009816398 [0,2,0,0,0,0|1,0,0]=3 12788 B13R0.208 COC(C)COCC(O)COC(=O)C 34a_100000690652_200000139349 [0,2,0,0,0,0|2,0,0]=4 12789 B13R0.291 CC(=O)OCCCCOC(C)(C)CCl 7a_100000764493_100000033659 [0,2,0,0,0,0|2,0,0]=4 12790 B13R0.291 CC(=O)OCCCCSC(F)(F)CO 62a_100000033659_100011217949 [0,2,0,0,0,0|2,0,0]=4 12791 B13R0.291 CC(=O)OCCCCSC(F)(F)CO 62a_100011217949_100000033659 [0,2,0,0,0,0|2,0,0]=4 12792 B13R0.291 CC(=O)OCCCOCC(C)(C)CCl 7a_100011217199_100000042594 [0,2,0,0,0,0|2,0,0]=4 12793 B13R0.291 CC(=O)OCCCOCC(F)(F)CN 34a_100000703232_100000042594 [0,2,0,0,0,0|2,0,0]=4 12794 B13R0.291 CC(=O)OCCCSCC(C)(C)CO 62a_100000042594_100009813988 [0,2,0,0,0,0|2,0,0]=4 12795 B13R0.291 CC(=O)OCCCSCC(C)(C)CO 62a_100009813988_100000042594 [0,2,0,0,0,0|2,0,0]=4 12796 B13R0.291 CCC(C)(C)COCCCCC(=O)C 7a_100000765029_100000735457 [0,2,0,0,0,0|2,0,0]=4 12797 B13R0.291 CCC(C)(C)COCCCOC(=O)C 7a_100000765029_100000042594 [0,2,0,0,0,0|1,0,0]=3 12798 B13R0.291 CCC(C)(C)COCCCOC(=S)C 7a_100000765029_200135323944 [0,2,0,0,0,0|1,1,0]=4 12799 B13R0.291 CCC(C)(C)COCCCSC(=O)C 7a_100000765029_100000038929 [0,2,0,0,0,0|1,1,0]=4 12800 B13R0.291 CCC(C)(C)NCCCCSC(=O)C 2230a_100000211385_200010402107 [0,2,0,0,0,0|1,1,0]=4 12801 B13R0.291 CCC(C)(C)OCCCCOC(=O)C 7a_100000073216_100000210677 [0,2,0,0,0,0|1,0,0]=3 12802 B13R0.291 CCC(C)(C)OCCCCOC(=O)C 7a_100000210230_100000033659 [0,2,0,0,0,0|1,0,0]=3 12803 B13R0.291 CCC(C)(C)OCCCCSC(=O)C 7a_100000210230_200010402107 [0,2,0,0,0,0|1,1,0]=4 12804 B13R0.291 CCC(C)(C)SCCCCOC(=O)C 62a_100000032637_100000033659 [0,2,0,0,0,0|1,0,0]=3 12805 B13R0.291 CCC(C)(C)SCCCCOC(=O)C 62a_100000033659_100000032637 [0,2,0,0,0,0|1,0,0]=3 12806 B13R0.291 CCC(C)(C)SCCCCSC(=O)C 62a_100000032637_200010402107 [0,2,0,0,0,0|1,1,0]=4 12807 B13R0.291 CCC(C)(C)SCCCCSC(=O)C 62a_200010402107_100000032637 [0,2,0,0,0,0|1,1,0]=4 12808 B13R0.291 CCC(C)(C)SCOCCOC(=O)C 62a_100000032637_100000076355 [0,2,0,0,0,0|2,0,0]=4 12809 B13R0.291 CCC(C)(C)SCOCCOC(=O)C 62a_100000076355_100000032637 [0,2,0,0,0,0|2,0,0]=4 12810 B13R0.291 CCS(=O)(=O)CCNCCOC(=O)C 34a_100000751051_100009814007 [0,2,0,0,0,0|2,0,0]=4 12811 B13R0.291 CCS(=O)(=O)CCOCCOC(=O)C 34a_200011216379_100009814007 [0,2,0,0,0,0|2,0,0]=4 12812 B13R0.291 CCS(=O)(=O)CCOCCOC(=O)C 7a_200011216379_100009814007 [0,2,0,0,0,0|2,0,0]=4 12813 B13R0.291 CCS(=O)(=O)CCSCCOC(=O)C 62a_100000756660_100009814007 [0,2,0,0,0,0|2,0,0]=4 12814 B13R0.291 CCS(=O)(=O)CCSCCOC(=O)C 62a_100009814007_100000756660 [0,2,0,0,0,0|2,0,0]=4 12815 B13R0.291 COC(C)(C)CCOCCOC(=O)C 7a_100000699976_100009814007 [0,2,0,0,0,0|2,0,0]=4 12816 B13R0.291 COC(C)(C)CSCCCOC(=O)C 62a_100000042594_100000701081 [0,2,0,0,0,0|2,0,0]=4 12817 B13R0.291 COC(C)(C)CSCCCOC(=O)C 62a_100000701081_100000042594 [0,2,0,0,0,0|2,0,0]=4 12818 B13R0.493 CCC(C)CCC(=O)CCCC(=O)C 1458a_100000701222_100011215641 [0,2,0,0,0,0|1,0,1]=4 12819 B13R0.493 CCC(C)CCC(=O)CCNC(=O)C 1458a_100000701222_100000189650 [0,2,0,0,0,0|1,0,1]=4 12820 B13R0.493 CCC(C)CCC(=O)CCOC(=O)C 1458a_100000701222_100009814007 [0,2,0,0,0,0|0,0,1]=3 12821 B13R0.493 CCC(C)CCC(=O)CCOC(=O)N 1458a_100000701222_200011214921 [0,2,0,0,0,0|1,0,1]=4 12822 B13R0.493 CCC(C)CCC(C)OCCC(=O)C 7a_200011216552_100000053229 [0,2,0,0,0,0|2,0,0]=4 12823 B13R0.493 CCN(C)CCC(=O)CCOC(=O)C 1458a_100000755305_100009814007 [0,2,0,0,0,0|1,0,1]=4 12824 B13R0.493 CCS(=O)CCC(=O)CCOC(=O)C 1458a_100011387550_100009814007 [0,2,0,0,0,0|1,0,1]=4 12825 B13R0.1120 C#CC(CC)OCCCCOC(=O)C 34a_100000758843_100000033659 [0,2,0,0,0,0|1,0,0]=3 12826 B13R0.1120 C#CC(CC)OCCCCOC(=O)C 7a_100000758843_100000033659 [0,2,0,0,0,0|1,0,0]=3 12827 B13R0.1120 C#CC(CC)OCCCCSC(=O)C 34a_100000758843_200010402107 [0,2,0,0,0,0|1,1,0]=4 12828 B13R0.1120 C#CC(CC)OCCCCSC(=O)C 7a_100000758843_200010402107 [0,2,0,0,0,0|1,1,0]=4 12829 B13R0.1120 C#CC(CC)OCOCCOC(=O)C 34a_100000758843_100000076355 [0,2,0,0,0,0|2,0,0]=4 12830 B13R0.1120 C=CC(CC)OCCCCOC(=O)C 34a_100000766422_100000033659 [0,2,0,0,0,0|1,0,0]=3 12831 B13R0.1120 C=CC(CC)OCCCCOC(=O)C 7a_100000766422_100000033659 [0,2,0,0,0,0|1,0,0]=3 12832 B13R0.1120 C=CC(CC)OCCCCSC(=O)C 34a_100000766422_200010402107 [0,2,0,0,0,0|1,1,0]=4 12833 B13R0.1120 C=CC(CC)OCCCCSC(=O)C 7a_100000766422_200010402107 [0,2,0,0,0,0|1,1,0]=4 12834 B13R0.1120 C=CC(CC)OCOCCOC(=O)C 34a_100000766422_100000076355 [0,2,0,0,0,0|2,0,0]=4 12835 B13R0.1120 C=C[C@@H](CO)NCCCCOC(=O)C 34a_100016989147_100000033659 [0,2,0,0,0,0|2,0,0]=4 12836 B13R0.1120 CC(=O)OCCCCOC(CCl)CCl 7a_100000737055_100000033659 [0,2,0,0,0,0|2,0,0]=4 12837 B13R0.1120 CC(=O)OCCCCOC(CF)CF 34a_100000032261_100000033659 [0,2,0,0,0,0|2,0,0]=4 12838 B13R0.1120 CC(=O)OCCCCOC(CF)CF 7a_100000032261_100000033659 [0,2,0,0,0,0|2,0,0]=4 12839 B13R0.1120 CC(=O)OCCCCOC(CN)CN 34a_100000031598_100000033659 [0,2,0,0,0,0|2,0,0]=4 12840 B13R0.1120 CC(=O)OCCCCO[C@@H](CF)CCl 34a_100015614560_100000033659 [0,2,0,0,0,0|2,0,0]=4 12841 B13R0.1120 CC(=O)OCCCCO[C@@H](CF)CCl 7a_100015614560_100000033659 [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.1120 CCC(CC)CNCCCNC(=O)C 269862a_100000736810_100000211137 [0,2,0,0,0,0|2,0,0]=4 12843 B13R0.1120 CCC(CC)CNCCCNC(=O)C 270004a_100000736810_100000211137 [0,2,0,0,0,0|2,0,0]=4 12844 B13R0.1120 CCC(CC)CNCCCNC(=O)C 34a_100000736810_100011215472 [0,2,0,0,0,0|2,0,0]=4 12845 B13R0.1120 CCC(CC)CNCCCOC(=S)C 2230a_100102946423_200135323944 [0,2,0,0,0,0|1,1,0]=4 12846 B13R0.1120 CCC(CC)CNCCCSC(=O)C 2230a_100102946423_100000038929 [0,2,0,0,0,0|1,1,0]=4 12847 B13R0.1120 CCC(CC)COCCCCC(=O)C 7a_100000703878_100000735457 [0,2,0,0,0,0|2,0,0]=4 12848 B13R0.1120 CCC(CC)COCCCNC(=O)C 34a_100000752032_100011215472 [0,2,0,0,0,0|2,0,0]=4 12849 B13R0.1120 CCC(CC)COCCCOC(=O)C 7a_100000703878_100000042594 [0,2,0,0,0,0|1,0,0]=3 12850 B13R0.1120 CCC(CC)COCCCOC(=S)C 7a_100000703878_200135323944 [0,2,0,0,0,0|1,1,0]=4 12851 B13R0.1120 CCC(CC)COCCCSC(=O)C 7a_100000703878_100000038929 [0,2,0,0,0,0|1,1,0]=4 12852 B13R0.1120 CCC(CC)CSCCCCC(=O)C 62a_100000735457_100011215472 [0,2,0,0,0,0|2,0,0]=4 12853 B13R0.1120 CCC(CC)CSCCCCC(=O)C 62a_100011215472_100000735457 [0,2,0,0,0,0|2,0,0]=4 12854 B13R0.1120 CCC(CC)CSCCCOC(=O)C 62a_100000042594_100011215472 [0,2,0,0,0,0|1,0,0]=3 12855 B13R0.1120 CCC(CC)CSCCCOC(=O)C 62a_100011215472_100000042594 [0,2,0,0,0,0|1,0,0]=3 12856 B13R0.1120 CCC(CC)CSCCCOC(=S)C 62a_100011215472_200135323944 [0,2,0,0,0,0|1,1,0]=4 12857 B13R0.1120 CCC(CC)CSCCCOC(=S)C 62a_200135323944_100011215472 [0,2,0,0,0,0|1,1,0]=4 12858 B13R0.1120 CCC(CC)CSCCCSC(=O)C 62a_100000038929_100011215472 [0,2,0,0,0,0|1,1,0]=4 12859 B13R0.1120 CCC(CC)CSCCCSC(=O)C 62a_100011215472_100000038929 [0,2,0,0,0,0|1,1,0]=4 12860 B13R0.1120 CCC(CC)NCCCCNC(=O)C 270004a_200011368371_100000210860 [0,2,0,0,0,0|2,0,0]=4 12861 B13R0.1120 CCC(CC)NCCCCSC(=O)C 2230a_100000199018_200010402107 [0,2,0,0,0,0|1,1,0]=4 12862 B13R0.1120 CCC(CC)OCCCCOC(=O)C 7a_100000073216_100000210505 [0,2,0,0,0,0|1,0,0]=3 12863 B13R0.1120 CCC(CC)OCCCCOC(=O)C 7a_100000688536_100000033659 [0,2,0,0,0,0|1,0,0]=3 12864 B13R0.1120 CCC(CC)OCCCCSC(=O)C 7a_100000688536_200010402107 [0,2,0,0,0,0|1,1,0]=4 12865 B13R0.1120 CCC(CC)SCCCCOC(=O)C 62a_100000033659_100000210505 [0,2,0,0,0,0|1,0,0]=3 12866 B13R0.1120 CCC(CC)SCCCCOC(=O)C 62a_100000210505_100000033659 [0,2,0,0,0,0|1,0,0]=3 12867 B13R0.1120 CCC(CC)SCCCCSC(=O)C 62a_100000210505_200010402107 [0,2,0,0,0,0|1,1,0]=4 12868 B13R0.1120 CCC(CC)SCCCCSC(=O)C 62a_200010402107_100000210505 [0,2,0,0,0,0|1,1,0]=4 12869 B13R0.1120 CCC(CC)SCOCCOC(=O)C 62a_100000076355_100000210505 [0,2,0,0,0,0|2,0,0]=4 12870 B13R0.1120 CCC(CC)SCOCCOC(=O)C 62a_100000210505_100000076355 [0,2,0,0,0,0|2,0,0]=4 12871 B13R0.1120 CCC(COCCCCC(=O)C)OC 34a_100011934954_100009817362 [0,2,0,0,0,0|2,0,0]=4 12872 B13R0.1120 CCC(COCCCCC(=O)C)OC 7a_100011934954_100000735457 [0,2,0,0,0,0|2,0,0]=4 12873 B13R0.1120 CCC(COCCCOC(=O)C)OC 34a_100011934954_100000042594 [0,2,0,0,0,0|1,0,0]=3 12874 B13R0.1120 CCC(COCCCOC(=O)C)OC 7a_100011934954_100000042594 [0,2,0,0,0,0|1,0,0]=3 12875 B13R0.1120 CCC(COCCCOC(=S)C)OC 34a_100011934954_200135323944 [0,2,0,0,0,0|1,1,0]=4 12876 B13R0.1120 CCC(COCCCOC(=S)C)OC 7a_100011934954_200135323944 [0,2,0,0,0,0|1,1,0]=4 12877 B13R0.1120 CCC(COCCCSC(=O)C)OC 34a_100011934954_100000038929 [0,2,0,0,0,0|1,1,0]=4 12878 B13R0.1120 CCC(COCCCSC(=O)C)OC 7a_100011934954_100000038929 [0,2,0,0,0,0|1,1,0]=4 12879 B13R0.1120 CCN(CC)CCCCCNC(=O)C 1626a_100011491781_100015343762 [0,2,0,0,0,0|2,0,0]=4 12880 B13R0.1120 CCN(CC)CCCCCNC(=O)C 240690a_100011491781_100015343762 [0,2,0,0,0,0|2,0,0]=4 12881 B13R0.1120 CCN(CC)CCCCCOC(=O)C 2230a_100000724800_100009813381 [0,2,0,0,0,0|1,0,0]=3 12882 B13R0.1120 CCN(CC)CCCCCOC(=O)C 269956a_100000042499_100000033007 [0,2,0,0,0,0|1,0,0]=3 12883 B13R0.1120 CCN(CC)CCCCCOC(=O)C 269982a_100000724800_100000033007 [0,2,0,0,0,0|1,0,0]=3 12884 B13R0.1120 CCN(CC)CCCSCOC(=O)C 62a_100000076356_100000709985 [0,2,0,0,0,0|2,0,0]=4 12885 B13R0.1120 CCN(CC)CCOCCOC(=O)C 2230a_100000724800_200000083610 [0,2,0,0,0,0|2,0,0]=4 12886 B13R0.1120 CCN(CC)CCOCCOC(=O)C 269956a_100000042499_200000083610 [0,2,0,0,0,0|2,0,0]=4 12887 B13R0.1120 CCN(CC)CCOCCOC(=O)C 269982a_100000724800_200000083610 [0,2,0,0,0,0|2,0,0]=4 12888 B13R0.1120 CCN(CC)CCOCCOC(=O)C 7a_100016990331_100009814007 [0,2,0,0,0,0|2,0,0]=4 12889 B13R0.1120 CCN(CC)CCSCCOC(=O)C 62a_100009814007_100000700428 [0,2,0,0,0,0|2,0,0]=4 12890 B13R0.1120 CCN(CC)COCCCOC(=O)C 7a_200015374951_100000042594 [0,2,0,0,0,0|2,0,0]=4 12891 B13R0.1120 CC[C@@H](CO)NCCCCSC(=O)C 2230a_100000709445_200010402107 [0,2,0,0,0,0|1,1,0]=4 12892 B13R0.1120 COC(CCCSCOC(=O)C)OC 62a_100000069011_100000076356 [0,2,0,0,0,0|2,0,0]=4 12893 B13R0.1120 COC(CCCSCOC(=O)C)OC 62a_100000076356_100000069011 [0,2,0,0,0,0|2,0,0]=4 12894 B13R0.1120 COC(CCSCCOC(=O)C)OC 62a_100000139399_100009814007 [0,2,0,0,0,0|2,0,0]=4 12895 B13R0.1120 COC(CCSCCOC(=O)C)OC 62a_100009814007_100000139399 [0,2,0,0,0,0|2,0,0]=4 12896 B13R0.1120 COC(COCCCOC(=O)C)OC 34a_100011216393_100000042594 [0,2,0,0,0,0|2,0,0]=4 12897 B13R0.1120 COC(CSCCCOC(=O)C)OC 62a_100000042594_100000751394 [0,2,0,0,0,0|2,0,0]=4 12898 B13R0.1120 COC(CSCCCOC(=O)C)OC 62a_100000751394_100000042594 [0,2,0,0,0,0|2,0,0]=4 12899 B13R0.1 C#CCCCCC(=O)CCOC(=O)C 1458a_100000696528_100009814007 [0,2,0,0,0,0|0,0,2]=4 12900 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 12901 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 12902 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 12903 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,2,0,0,0,0|2,0,0]=4 12904 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 12905 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100000730704_100011215978 [0,2,0,0,0,0|2,0,0]=4 12906 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100011215978_100000730704 [0,2,0,0,0,0|2,0,0]=4 12907 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [0,2,0,0,0,0|0,0,2]=4 12908 B13R0.1 C=CCCCCN(C)CCOC(=O)C 269982a_100012000471_100009814007 [0,2,0,0,0,0|0,0,2]=4 12909 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|1,0,1]=4 12910 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,2,0,0,0,0|2,0,0]=4 12911 B13R0.1 CC(=O)NCCC(=O)CCCCCF 1458a_100000183196_100000729378 [0,2,0,0,0,0|1,0,1]=4 12912 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100000183196_100000746330 [0,2,0,0,0,0|1,0,1]=4 12913 B13R0.1 CC(=O)NCCC(=O)CCCCCO 1458a_100102619762_100000189650 [0,2,0,0,0,0|1,0,1]=4 12914 B13R0.1 CC(=O)NCCN(C)CCCCCO 2230a_100000722520_100000189650 [0,2,0,0,0,0|2,0,0]=4 12915 B13R0.1 CC(=O)NCCN(C)CCCCCO 269982a_100000722520_100000189650 [0,2,0,0,0,0|2,0,0]=4 12916 B13R0.1 CC(=O)OCCC(=O)CCCCCO 1458a_100102619762_100009814007 [0,2,0,0,0,0|0,0,1]=3 12917 B13R0.1 CC(=O)OCCC(=O)CCOCCO 1458a_100011229844_100009814007 [0,2,0,0,0,0|1,0,1]=4 12918 B13R0.1 CC(=O)OCCN(C)CCCCCO 269982a_100000722520_100009814007 [0,2,0,0,0,0|1,0,0]=3 12919 B13R0.1 CC(=O)OCCN(C)CCOCCO 269982a_100000228057_100009814007 [0,2,0,0,0,0|2,0,0]=4 12920 B13R0.1 CC(=O)SCCC(=O)CCCCCF 1458a_100000048949_100000729378 [0,2,0,0,0,0|0,1,1]=4 12921 B13R0.1 CC(=O)SCCC(=O)CCCCCO 1458a_100000048949_100000746330 [0,2,0,0,0,0|0,1,1]=4 12922 B13R0.1 CCC/C=C/CC(=O)CCOC(=O)C 1458a_200016266809_100009814007 [0,2,0,0,0,0|0,0,2]=4 12923 B13R0.1 CCCCC=CC(=O)CCOC(=O)C 1458a_100016266645_100009814007 [0,2,0,0,0,0|0,0,2]=4 12924 B13R0.1 CCCCCCC(=O)CCC=C(C)C 1458a_100102632555_100011217483 [0,2,0,0,0,0|2,0,0]=4 12925 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|1,0,0]=3 12926 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,2,0,0,0,0|2,0,0]=4 12927 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,2,0,0,0,0|1,0,0]=3 12928 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,2,0,0,0,0|1,0,0]=3 12929 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,2,0,0,0,0|2,0,0]=4 12930 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,2,0,0,0,0|2,0,0]=4 12931 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,2,0,0,0,0|0,0,0]=2 12932 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,2,0,0,0,0|1,0,0]=3 12933 B13R0.1 CCCCCCC(=O)CCOC(C)C 1458a_100102632555_100000211751 [0,2,0,0,0,0|1,0,1]=4 12934 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,2,0,0,0,0|0,1,0]=3 12935 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,2,0,0,0,0|1,0,1]=4 12936 B13R0.1 CCCCCCC(C)CCOC(C)C 34a_200011024964_100000210206 [0,2,0,0,0,0|1,0,1]=4 12937 B13R0.1 CCCCCCC(C)CCOC(C)C 7a_200011024964_100000210206 [0,2,0,0,0,0|1,0,1]=4 12938 B13R0.1 CCCCCCC(C)NCC=C(C)C 2230a_100000210919_100000761012 [0,2,0,0,0,0|2,0,0]=4 12939 B13R0.1 CCCCCCC(C)NCC=C(C)C 270004a_100000718196_100000210826 [0,2,0,0,0,0|2,0,0]=4 12940 B13R0.1 CCCCCCC(C)NCC=C(C)C 34a_100000210919_100000761012 [0,2,0,0,0,0|2,0,0]=4 12941 B13R0.1 CCCCCCC(C)NCC=C(C)C 34a_100000718196_100011215978 [0,2,0,0,0,0|2,0,0]=4 12942 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [0,2,0,0,0,0|2,0,0]=4 12943 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [0,2,0,0,0,0|2,0,0]=4 12944 B13R0.1 CCCCCCC(C)NCOC(=O)C 34a_100000210919_100009813279 [0,2,0,0,0,0|0,0,0]=2 12945 B13R0.1 CCCCCCC(C)NCOC(C)C 2230a_100000210919_100000709892 [0,2,0,0,0,0|1,0,1]=4 12946 B13R0.1 CCCCCCC(C)NCOC(C)C 34a_100000210919_100000709892 [0,2,0,0,0,0|1,0,1]=4 12947 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,2,0,0,0,0|2,0,0]=4 12948 B13R0.1 CCCCCCC(C)OCC=C(C)C 34a_100000210265_100000761012 [0,2,0,0,0,0|2,0,0]=4 12949 B13R0.1 CCCCCCC(C)OCC=C(C)C 34a_100000753907_100011215978 [0,2,0,0,0,0|2,0,0]=4 12950 B13R0.1 CCCCCCC(C)OCC=C(C)C 7a_100000210265_100000761012 [0,2,0,0,0,0|2,0,0]=4 12951 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [0,2,0,0,0,0|1,0,0]=3 12952 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [0,2,0,0,0,0|1,0,0]=3 12953 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [0,2,0,0,0,0|1,0,0]=3 12954 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [0,2,0,0,0,0|2,0,0]=4 12955 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [0,2,0,0,0,0|2,0,0]=4 12956 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [0,2,0,0,0,0|2,0,0]=4 12957 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [0,2,0,0,0,0|2,0,0]=4 12958 B13R0.1 CCCCCCC(C)OCOC(=O)C 34a_100000210265_100009813279 [0,2,0,0,0,0|0,0,0]=2 12959 B13R0.1 CCCCCCC(C)OCOC(C)C 34a_100000210265_100000709892 [0,2,0,0,0,0|1,0,1]=4 12960 B13R0.1 CCCCCCC(C)SCC=C(C)C 62a_100000761012_100011215978 [0,2,0,0,0,0|2,0,0]=4 12961 B13R0.1 CCCCCCC(C)SCC=C(C)C 62a_100011215978_100000761012 [0,2,0,0,0,0|2,0,0]=4 12962 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [0,2,0,0,0,0|1,0,0]=3 12963 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [0,2,0,0,0,0|1,0,0]=3 12964 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [0,2,0,0,0,0|2,0,0]=4 12965 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [0,2,0,0,0,0|2,0,0]=4 12966 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100000076356_100011215978 [0,2,0,0,0,0|0,0,0]=2 12967 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100011215978_100000076356 [0,2,0,0,0,0|0,0,0]=2 12968 B13R0.1 CCCCCCC(C)SCOC(C)C 62a_100000709892_100011215978 [0,2,0,0,0,0|1,0,1]=4 12969 B13R0.1 CCCCCCC(C)SCOC(C)C 62a_100011215978_100000709892 [0,2,0,0,0,0|1,0,1]=4 12970 B13R0.1 CCCCCCN(C)CCC=C(C)C 2230a_106256046315_100011217483 [0,2,0,0,0,0|2,0,0]=4 12971 B13R0.1 CCCCCCN(C)CCC=C(C)C 269982a_106256046315_100011217483 [0,2,0,0,0,0|2,0,0]=4 12972 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,2,0,0,0,0|1,0,0]=3 12973 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,2,0,0,0,0|2,0,0]=4 12974 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|2,0,0]=4 12975 B13R0.1 CCCCCCN(C)CCNC(=O)C 2230a_106256046315_100000189650 [0,2,0,0,0,0|1,0,0]=3 12976 B13R0.1 CCCCCCN(C)CCNC(=O)C 269982a_106256046315_100000189650 [0,2,0,0,0,0|1,0,0]=3 12977 B13R0.1 CCCCCCN(C)CCNC(=O)N 2230a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 12978 B13R0.1 CCCCCCN(C)CCNC(=O)N 269982a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 12979 B13R0.1 CCCCCCN(C)CCOC(=O)C 269982a_106256046315_100009814007 [0,2,0,0,0,0|0,0,0]=2 12980 B13R0.1 CCCCCCN(C)CCOC(=O)N 269982a_106256046315_200011214921 [0,2,0,0,0,0|1,0,0]=3 12981 B13R0.1 CCCCCCN(C)CCOC(C)C 2230a_106256046315_100000211751 [0,2,0,0,0,0|1,0,1]=4 12982 B13R0.1 CCCCCCN(C)CCOC(C)C 269982a_106256046315_100000211751 [0,2,0,0,0,0|1,0,1]=4 12983 B13R0.1 CCCCCNC(=O)CCNC(=O)C 11a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 12984 B13R0.1 CCCCCNC(=O)CCNC(=O)C 1626a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 12985 B13R0.1 CCCCCNC(=O)CCNC(=O)C 240690a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 12986 B13R0.1 CCCCCNC(=O)CCNC(=O)C 527a_100000209983_100000183196 [0,2,0,0,0,0|1,0,1]=4 12987 B13R0.1 CCCCCNC(=O)CCSC(=O)C 1626a_100000209983_100000048949 [0,2,0,0,0,0|0,1,1]=4 12988 B13R0.1 CCCCCNC(=O)CCSC(=O)C 240690a_100000209983_100000048949 [0,2,0,0,0,0|0,1,1]=4 12989 B13R0.1 CCCCCNC(=O)COCC(=O)C 34a_100000211253_100000230301 [0,2,0,0,0,0|1,0,1]=4 12990 B13R0.1 CCCCCNC(C)CCC=C(C)C 270004a_100000209983_100000765506 [0,2,0,0,0,0|2,0,0]=4 12991 B13R0.1 CCCCCNC(C)CCOC(C)C 270004a_100000209983_200011219172 [0,2,0,0,0,0|1,0,1]=4 12992 B13R0.1 CCCCCOC(C)CCC=C(C)C 34a_100102619829_100000718602 [0,2,0,0,0,0|2,0,0]=4 12993 B13R0.1 CCCCCOC(C)CCC=C(C)C 7a_100102619829_100000210326 [0,2,0,0,0,0|2,0,0]=4 12994 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,2,0,0,0,0|2,0,0]=4 12995 B13R0.1 CCCCNCC(C)CCC=C(C)C 270004a_100000102301_100000033009 [0,2,0,0,0,0|2,0,0]=4 12996 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,2,0,0,0,0|1,0,1]=4 12997 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000183196_100011995733 [0,2,0,0,0,0|1,0,1]=4 12998 B13R0.1 CCCCOCC(=O)CCNC(=O)C 1458a_100000757543_100000189650 [0,2,0,0,0,0|1,0,1]=4 12999 B13R0.1 CCCCOCC(=O)CCOC(=O)C 1458a_100000757543_100009814007 [0,2,0,0,0,0|0,0,1]=3 13000 B13R0.1 CCCCOCC(=O)CCOC(=O)N 1458a_100000757543_200011214921 [0,2,0,0,0,0|1,0,1]=4 13001 B13R0.1 CCCCOCC(=O)CCSC(=O)C 1458a_100000048949_100011995733 [0,2,0,0,0,0|0,1,1]=4 13002 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,2,0,0,0,0|2,0,0]=4 13003 B13R0.1 CCCCOCC(C)OCOC(=O)C 34a_100011217071_100009813279 [0,2,0,0,0,0|1,0,0]=3 13004 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,2,0,0,0,0|1,0,1]=4 13005 B13R0.1 CCCCSCC(=O)CCNC(=O)C 1458a_100000191162_100000189650 [0,2,0,0,0,0|1,0,1]=4 13006 B13R0.1 CCCCSCC(=O)CCOC(=O)C 1458a_100000191162_100009814007 [0,2,0,0,0,0|0,0,1]=3 13007 B13R0.1 CCCCSCC(=O)CCOC(=O)N 1458a_100000191162_200011214921 [0,2,0,0,0,0|1,0,1]=4 13008 B13R0.1 CCCNCCC(C)CCC=C(C)C 269862a_100020643023_100000212096 [0,2,0,0,0,0|2,0,0]=4 13009 B13R0.1 CCCNCCC(C)CCC=C(C)C 270004a_100020643023_100000212096 [0,2,0,0,0,0|2,0,0]=4 13010 B13R0.1 CCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215938 [0,2,0,0,0,0|1,0,1]=4 13011 B13R0.1 CCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215938 [0,2,0,0,0,0|0,1,1]=4 13012 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210303 [0,2,0,0,0,0|2,0,0]=4 13013 B13R0.1 CCCOCCC(C)CCC=C(C)C 34a_100000210258_100009814015 [0,2,0,0,0,0|2,0,0]=4 13014 B13R0.1 CCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210303 [0,2,0,0,0,0|2,0,0]=4 13015 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100000210303_100009814015 [0,2,0,0,0,0|2,0,0]=4 13016 B13R0.1 CCCSCCC(C)CCC=C(C)C 62a_100009814015_100000210303 [0,2,0,0,0,0|2,0,0]=4 13017 B13R0.1 CCOCCCC(=O)CCNC(=O)C 1458a_100000183196_100012232248 [0,2,0,0,0,0|1,0,1]=4 13018 B13R0.1 CCOCCCC(=O)CCSC(=O)C 1458a_100000048949_100012232248 [0,2,0,0,0,0|0,1,1]=4 13019 B13R0.1 CN(CCCCCO)CCOC(=O)N 269982a_100000722520_200011214921 [0,2,0,0,0,0|2,0,0]=4 13020 B13R0.1 COCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000755781 [0,2,0,0,0,0|1,0,1]=4 13021 B13R0.1 COCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000755781 [0,2,0,0,0,0|0,1,1]=4 13022 B13R0.1 COCCOCC(=O)CCOC(=O)C 1458a_100000211095_100009814007 [0,2,0,0,0,0|1,0,1]=4 13023 B13R0.1 NC(=O)OCCC(=O)CCCCCO 1458a_100102619762_200011214921 [0,2,0,0,0,0|1,0,1]=4 13024 B13R0.139 CC(=O)OCC(C)N(C)CCCCO 270004a_100000717598_100000000629 [0,2,0,0,0,0|2,0,0]=4 13025 B13R0.139 CCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210326 [0,2,0,0,0,0|0,1,1]=4 13026 B13R0.139 CCCCCC(C)C(=O)CNC(=O)C 1458a_100000194580_200011218191 [0,2,0,0,0,0|1,0,1]=4 13027 B13R0.139 CCCCCC(C)C(=O)COC(=O)C 1458a_100000183556_200011218191 [0,2,0,0,0,0|0,0,1]=3 13028 B13R0.139 CCCCCC(C)C(=O)CSC(=O)C 1458a_100000049016_200011218191 [0,2,0,0,0,0|0,1,1]=4 13029 B13R0.139 CCCCCN(C)C(=O)COC(=O)C 1626a_100000223495_100000183556 [0,2,0,0,0,0|1,0,1]=4 13030 B13R0.139 CCCCCN(C)C(=O)COC(=O)C 240690a_100000223495_100000183556 [0,2,0,0,0,0|1,0,1]=4 13031 B13R0.139 CCCCCN(C)C(=O)COC(=O)C 527a_100000223495_100000183556 [0,2,0,0,0,0|1,0,1]=4 13032 B13R0.139 CCCCCN(C)C(C)COC(=O)C 270004a_100000223495_100000000629 [0,2,0,0,0,0|1,0,0]=3 13033 B13R0.139 COCCCN(C)C(C)COC(=O)C 270004a_100000224831_100000000629 [0,2,0,0,0,0|2,0,0]=4 13034 B13R0.153 C#CC(CCCCC)OCCC(=O)C 7a_100011216489_100000053229 [0,2,0,0,0,0|2,0,0]=4 13035 B13R0.153 C#CC(CCCCC)OCOC(=O)C 34a_100011216489_100009813279 [0,2,0,0,0,0|1,0,0]=3 13036 B13R0.153 C=CC(CCCCC)OCCC(=O)C 7a_100011216863_100000053229 [0,2,0,0,0,0|2,0,0]=4 13037 B13R0.153 C=CC(CCCCC)OCOC(=O)C 34a_100011216863_100009813279 [0,2,0,0,0,0|1,0,0]=3 13038 B13R0.153 CCCCCC(CC)OCCC(=O)C 7a_100011215405_100000053229 [0,2,0,0,0,0|2,0,0]=4 13039 B13R0.153 CCCCCC(CC)OCOC(=O)C 34a_100011215405_100009813279 [0,2,0,0,0,0|1,0,0]=3 13040 B13R0.153 CCCCCC(CCCC(=O)[O-])OC 7a_100020618878_200000210301 [0,2,0,0,0,0|2,0,0]=4 13041 B13R0.153 CCCCCC(CCCC(=O)[O-])O[13CH3] 7a_100020618878_200025704644 [0,2,0,0,0,0|2,0,0]=4 13042 B13R0.153 CCN(CCCCO)CCOC(=O)C 269982a_100011217355_100009814007 [0,2,0,0,0,0|2,0,0]=4 13043 B13R0.194 C=CC(=O)OCCC(=O)CCCCC 1458a_100000065099_100000210326 [0,2,0,0,0,0|0,0,2]=4 13044 B13R0.194 C=CC(=O)OCCC(=O)CCCCC 1458a_100000212188_100009813456 [0,2,0,0,0,0|0,0,2]=4 13045 B13R0.194 C=CC(=O)OCCN(C)CCCCC 2230a_100000223495_100009813456 [0,2,0,0,0,0|1,0,1]=4 13046 B13R0.194 C=CC(=O)OCCN(C)CCCCC 269982a_100000223495_100009813456 [0,2,0,0,0,0|1,0,1]=4 13047 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,2,0,0,0,0|1,0,1]=4 13048 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|1,0,1]=4 13049 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|1,0,1]=4 13050 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [0,2,0,0,0,0|0,0,1]=3 13051 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000211957_100000737683 [0,2,0,0,0,0|2,0,0]=4 13052 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218191 [0,2,0,0,0,0|2,0,0]=4 13053 B13R0.194 CCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000211708 [0,2,0,0,0,0|2,0,0]=4 13054 B13R0.194 CCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218191 [0,2,0,0,0,0|2,0,0]=4 13055 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,2,0,0,0,0|2,0,0]=4 13056 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218191 [0,2,0,0,0,0|2,0,0]=4 13057 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100011215632_100012179268 [0,2,0,0,0,0|2,0,0]=4 13058 B13R0.194 CCCCCC(C)OCCC(=O)NC 7a_100011215632_100000737683 [0,2,0,0,0,0|2,0,0]=4 13059 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,2,0,0,0,0|2,0,0]=4 13060 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,2,0,0,0,0|2,0,0]=4 13061 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218191 [0,2,0,0,0,0|2,0,0]=4 13062 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_200011218191_100000737683 [0,2,0,0,0,0|2,0,0]=4 13063 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,2,0,0,0,0|2,0,0]=4 13064 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,2,0,0,0,0|2,0,0]=4 13065 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [0,2,0,0,0,0|1,0,0]=3 13066 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 13067 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 13068 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 13069 B13R0.194 CCCCCN(C)CCCC(=O)NC 2230a_100000223495_100000741757 [0,2,0,0,0,0|2,0,0]=4 13070 B13R0.194 CCCCCN(C)CCCC(=O)NC 269982a_100000223495_100000741757 [0,2,0,0,0,0|2,0,0]=4 13071 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,2,0,0,0,0|2,0,0]=4 13072 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,2,0,0,0,0|2,0,0]=4 13073 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,2,0,0,0,0|2,0,0]=4 13074 B13R0.194 CCCCCN(C)CCOC(=O)NC 269982a_100000223495_200011997002 [0,2,0,0,0,0|1,0,0]=3 13075 B13R0.194 CCCOCC(=O)CCOC(=O)NC 1458a_100000745993_200011997002 [0,2,0,0,0,0|1,0,1]=4 13076 B13R0.194 CCCSCC(=O)CCOC(=O)NC 1458a_100000217233_200011997002 [0,2,0,0,0,0|1,0,1]=4 13077 B13R0.194 CCOCCC(=O)CCOC(=O)NC 1458a_100000749530_200011997002 [0,2,0,0,0,0|1,0,1]=4 13078 B13R0.194 CCSCCC(=O)CCOC(=O)NC 1458a_100000230768_200011997002 [0,2,0,0,0,0|1,0,1]=4 13079 B13R0.194 CNC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011997002 [0,2,0,0,0,0|1,0,1]=4 13080 B13R0.194 CNC(=O)OCCC(=O)CCCOC 1458a_100000741012_200011997002 [0,2,0,0,0,0|1,0,1]=4 13081 B13R0.194 CNC(=O)OCCC(=O)CCCSC 1458a_100000173376_200011997002 [0,2,0,0,0,0|1,0,1]=4 13082 B13R0.194 CNC(=O)OCCN(C)CCCCO 269982a_100000717598_200011997002 [0,2,0,0,0,0|2,0,0]=4 13083 B13R0.194 CNC(=O)OCCN(C)CCCOC 269982a_100000224831_200011997002 [0,2,0,0,0,0|2,0,0]=4 13084 B13R0.331 C=C(CCC)CC(=O)CCOC(=O)C 1458a_100000138376_100009814007 [0,2,0,0,0,0|0,0,2]=4 13085 B13R0.331 CCCC(C)CC(=O)CCCC(=O)C 1458a_100000748435_100011215641 [0,2,0,0,0,0|1,0,1]=4 13086 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100011216630 [0,2,0,0,0,0|1,0,1]=4 13087 B13R0.331 CCCC(C)CC(=O)CCNC(=O)C 1458a_100000748435_100000189650 [0,2,0,0,0,0|1,0,1]=4 13088 B13R0.331 CCCC(C)CC(=O)CCOC(=O)C 1458a_100000748435_100009814007 [0,2,0,0,0,0|0,0,1]=3 13089 B13R0.331 CCCC(C)CC(=O)CCOC(=O)N 1458a_100000748435_200011214921 [0,2,0,0,0,0|1,0,1]=4 13090 B13R0.331 CCCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100011216630 [0,2,0,0,0,0|0,1,1]=4 13091 B13R0.331 CCCS(=O)CC(=O)CCOC(=O)C 1458a_100011387404_100009814007 [0,2,0,0,0,0|1,0,1]=4 13092 B13R0.331 CCSC(C)CC(=O)CCOC(=O)C 1458a_200011311441_100009814007 [0,2,0,0,0,0|1,0,1]=4 13093 B13R0.331 COCC(O)CN(C)CCOC(=O)C 269982a_100000739405_100009814007 [0,2,0,0,0,0|2,0,0]=4 13094 B13R0.339 CCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210326 [0,2,0,0,0,0|1,0,1]=4 13095 B13R0.339 CCCCCC(C)OCC(=O)C(=O)C 34a_100011215632_100011261029 [0,2,0,0,0,0|2,0,0]=4 13096 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218191 [0,2,0,0,0,0|2,0,0]=4 13097 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218191 [0,2,0,0,0,0|2,0,0]=4 13098 B13R0.339 CCCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011218191 [0,2,0,0,0,0|2,0,0]=4 13099 B13R0.339 CCCCCC(C)SCC(=O)C(=O)C 62a_200011218191_100011261029 [0,2,0,0,0,0|2,0,0]=4 13100 B13R0.1259 CCCCNS(=O)(=O)CCOC(=O)C 270084a_100000102301_200000119425 [0,2,0,0,0,0|2,0,0]=4 13101 B13R0.1259 CCCCNS(=O)(=O)CCOC(=O)C 274078a_100000102301_200000119425 [0,2,0,0,0,0|2,0,0]=4 13102 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,2,0,0,0,0|1,0,1]=4 13103 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,2,0,0,0,0|2,0,0]=4 13104 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,2,0,0,0,0|1,0,1]=4 13105 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,2,0,0,0,0|1,0,1]=4 13106 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)O 1458a_100000183196_200000718107 [0,2,0,0,0,0|1,0,1]=4 13107 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,2,0,0,0,0|1,0,0]=3 13108 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,2,0,0,0,0|1,0,0]=3 13109 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,2,0,0,0,0|1,0,0]=3 13110 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,2,0,0,0,0|0,0,1]=3 13111 B13R0.1398 CC(=O)OCCC(=O)COCC(C)C 1458a_100011223364_100009814007 [0,2,0,0,0,0|1,0,1]=4 13112 B13R0.1398 CC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_100009814007 [0,2,0,0,0,0|2,0,0]=4 13113 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,2,0,0,0,0|1,0,0]=3 13114 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,2,0,0,0,0|0,1,1]=4 13115 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)O 1458a_100000048949_200000718107 [0,2,0,0,0,0|0,1,1]=4 13116 B13R0.1398 CC(C)CCCC(=O)CCOC(=O)N 1458a_100011216857_200011214921 [0,2,0,0,0,0|1,0,1]=4 13117 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000015991_100000210206 [0,2,0,0,0,0|1,0,1]=4 13118 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000212225_100009816328 [0,2,0,0,0,0|1,0,1]=4 13119 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 7a_100000015991_100000210206 [0,2,0,0,0,0|1,0,1]=4 13120 B13R0.54 C#CCCCCCCCCOC(C)C 34a_100000065265_100000210206 [0,2,0,0,0,0|1,0,1]=4 13121 B13R0.54 C#CCCCCCCCCOC(C)C 7a_100000065265_100000210206 [0,2,0,0,0,0|1,0,1]=4 13122 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 13123 B13R0.54 C#CCCCCCCCOCC(=C)C 34a_100000210245_100153394163 [0,2,0,0,0,0|1,0,1]=4 13124 B13R0.54 C#CCCCCCCCOCC(=C)C 7a_100000054614_100000748629 [0,2,0,0,0,0|1,0,1]=4 13125 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,2,0,0,0,0|0,0,1]=3 13126 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,2,0,0,0,0|1,0,1]=4 13127 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,2,0,0,0,0|1,0,1]=4 13128 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,2,0,0,0,0|1,0,1]=4 13129 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,2,0,0,0,0|0,0,2]=4 13130 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,2,0,0,0,0|0,0,2]=4 13131 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,2,0,0,0,0|0,0,2]=4 13132 B13R0.54 C#CCCCCCCOCOC(=O)C 34a_100011217361_100009813279 [0,2,0,0,0,0|0,0,1]=3 13133 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,2,0,0,0,0|1,0,1]=4 13134 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,2,0,0,0,0|1,0,1]=4 13135 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100000076356_100012276617 [0,2,0,0,0,0|0,0,1]=3 13136 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100012276617_100000076356 [0,2,0,0,0,0|0,0,1]=3 13137 B13R0.54 C#CCCCCCNCCNC(=O)C 2230a_100000209853_100012094781 [0,2,0,0,0,0|1,0,1]=4 13138 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,2,0,0,0,0|1,0,1]=4 13139 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,2,0,0,0,0|1,0,1]=4 13140 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,2,0,0,0,0|1,0,1]=4 13141 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,2,0,0,0,0|1,0,1]=4 13142 B13R0.54 C#CCCCCCOCCNC(=O)C 34a_100000158858_100012094781 [0,2,0,0,0,0|1,0,1]=4 13143 B13R0.54 C#CCCCCCOCCNC(=O)C 7a_100000766912_100000189650 [0,2,0,0,0,0|1,0,1]=4 13144 B13R0.54 C#CCCCCCOCCOC(=O)C 34a_100000766912_100009814007 [0,2,0,0,0,0|0,0,1]=3 13145 B13R0.54 C#CCCCCCOCCOC(=O)C 7a_100000766912_100009814007 [0,2,0,0,0,0|0,0,1]=3 13146 B13R0.54 C#CCCCCCOCCOC(=O)N 34a_100000766912_200011214921 [0,2,0,0,0,0|1,0,1]=4 13147 B13R0.54 C#CCCCCCOCCOC(=O)N 7a_100000766696_100012094781 [0,2,0,0,0,0|1,0,1]=4 13148 B13R0.54 C#CCCCCCOCCOC(=O)N 7a_100000766912_200011214921 [0,2,0,0,0,0|1,0,1]=4 13149 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,2,0,0,0,0|1,0,1]=4 13150 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,2,0,0,0,0|1,0,1]=4 13151 B13R0.54 C#CCCCCCSCCNC(=O)C 62a_100000189650_100012094781 [0,2,0,0,0,0|1,0,1]=4 13152 B13R0.54 C#CCCCCCSCCNC(=O)C 62a_100012094781_100000189650 [0,2,0,0,0,0|1,0,1]=4 13153 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100009814007_100012094781 [0,2,0,0,0,0|0,0,1]=3 13154 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100012094781_100009814007 [0,2,0,0,0,0|0,0,1]=3 13155 B13R0.54 C#CCCCCCSCCOC(=O)N 62a_100012094781_200011214921 [0,2,0,0,0,0|1,0,1]=4 13156 B13R0.54 C#CCCCCCSCCOC(=O)N 62a_200011214921_100012094781 [0,2,0,0,0,0|1,0,1]=4 13157 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,2,0,0,0,0|1,0,1]=4 13158 B13R0.54 C#CCCCCNCCCNC(=O)C 34a_100000736810_100010269958 [0,2,0,0,0,0|1,0,1]=4 13159 B13R0.54 C#CCCCCNCCCOC(=O)C 34a_100000706060_100000042594 [0,2,0,0,0,0|0,0,1]=3 13160 B13R0.54 C#CCCCCNCCCOC(=S)C 2230a_100000706060_200135323944 [0,2,0,0,0,0|0,1,1]=4 13161 B13R0.54 C#CCCCCNCCCOC(=S)C 34a_100000706060_200135323944 [0,2,0,0,0,0|0,1,1]=4 13162 B13R0.54 C#CCCCCNCCCSC(=O)C 2230a_100000706060_100000038929 [0,2,0,0,0,0|0,1,1]=4 13163 B13R0.54 C#CCCCCNCCCSC(=O)C 34a_100000706060_100000038929 [0,2,0,0,0,0|0,1,1]=4 13164 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,2,0,0,0,0|1,0,1]=4 13165 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,2,0,0,0,0|1,0,1]=4 13166 B13R0.54 C#CCCCCOCCCNC(=O)C 34a_100000752032_100010269958 [0,2,0,0,0,0|1,0,1]=4 13167 B13R0.54 C#CCCCCOCCCOC(=O)C 34a_100000766709_100000042594 [0,2,0,0,0,0|0,0,1]=3 13168 B13R0.54 C#CCCCCOCCCOC(=O)C 7a_100000766709_100000042594 [0,2,0,0,0,0|0,0,1]=3 13169 B13R0.54 C#CCCCCOCCCOC(=S)C 34a_100000766709_200135323944 [0,2,0,0,0,0|0,1,1]=4 13170 B13R0.54 C#CCCCCOCCCOC(=S)C 7a_100000766709_200135323944 [0,2,0,0,0,0|0,1,1]=4 13171 B13R0.54 C#CCCCCOCCCSC(=O)C 34a_100000766709_100000038929 [0,2,0,0,0,0|0,1,1]=4 13172 B13R0.54 C#CCCCCOCCCSC(=O)C 7a_100000766709_100000038929 [0,2,0,0,0,0|0,1,1]=4 13173 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,2,0,0,0,0|1,0,1]=4 13174 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,2,0,0,0,0|1,0,1]=4 13175 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100000042594_100010269958 [0,2,0,0,0,0|0,0,1]=3 13176 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100010269958_100000042594 [0,2,0,0,0,0|0,0,1]=3 13177 B13R0.54 C#CCCCCSCCCOC(=S)C 62a_100010269958_200135323944 [0,2,0,0,0,0|0,1,1]=4 13178 B13R0.54 C#CCCCCSCCCOC(=S)C 62a_200135323944_100010269958 [0,2,0,0,0,0|0,1,1]=4 13179 B13R0.54 C#CCCCCSCCCSC(=O)C 62a_100000038929_100010269958 [0,2,0,0,0,0|0,1,1]=4 13180 B13R0.54 C#CCCCCSCCCSC(=O)C 62a_100010269958_100000038929 [0,2,0,0,0,0|0,1,1]=4 13181 B13R0.54 C#CCCCNCCCCNC(=O)C 2230a_200011368371_100000731252 [0,2,0,0,0,0|1,0,1]=4 13182 B13R0.54 C#CCCCNCCCCNC(=O)C 34a_200011368371_100000695029 [0,2,0,0,0,0|1,0,1]=4 13183 B13R0.54 C#CCCCNCCCCOC(=O)C 34a_100000718082_100000033659 [0,2,0,0,0,0|0,0,1]=3 13184 B13R0.54 C#CCCCNCCCCSC(=O)C 34a_100000718082_200010402107 [0,2,0,0,0,0|0,1,1]=4 13185 B13R0.54 C#CCCCNCOCCOC(=O)C 34a_100000718082_100000076355 [0,2,0,0,0,0|0,0,2]=4 13186 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000073216_100000695029 [0,2,0,0,0,0|0,0,1]=3 13187 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000215630_100000033659 [0,2,0,0,0,0|0,0,1]=3 13188 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000073216_100011215417 [0,2,0,0,0,0|0,0,1]=3 13189 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000215630_100000033659 [0,2,0,0,0,0|0,0,1]=3 13190 B13R0.54 C#CCCCOCCCCSC(=O)C 34a_100000215630_200010402107 [0,2,0,0,0,0|0,1,1]=4 13191 B13R0.54 C#CCCCOCCCCSC(=O)C 7a_100000215630_200010402107 [0,2,0,0,0,0|0,1,1]=4 13192 B13R0.54 C#CCCCOCOCCOC(=O)C 34a_100000215630_100000076355 [0,2,0,0,0,0|0,0,2]=4 13193 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100000033659_100011215417 [0,2,0,0,0,0|0,0,1]=3 13194 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100011215417_100000033659 [0,2,0,0,0,0|0,0,1]=3 13195 B13R0.54 C#CCCCSCCCCSC(=O)C 62a_100011215417_200010402107 [0,2,0,0,0,0|0,1,1]=4 13196 B13R0.54 C#CCCCSCCCCSC(=O)C 62a_200010402107_100011215417 [0,2,0,0,0,0|0,1,1]=4 13197 B13R0.54 C#CCCCSCOCCOC(=O)C 62a_100000076355_100011215417 [0,2,0,0,0,0|0,0,2]=4 13198 B13R0.54 C#CCCCSCOCCOC(=O)C 62a_100011215417_100000076355 [0,2,0,0,0,0|0,0,2]=4 13199 B13R0.54 C#CCCNCCCCCNC(=O)C 2230a_200012022750_100000688953 [0,2,0,0,0,0|1,0,1]=4 13200 B13R0.54 C#CCCNCCCCCNC(=O)C 34a_200012022750_100000688953 [0,2,0,0,0,0|1,0,1]=4 13201 B13R0.54 C#CCCNCCCCCOC(=O)C 34a_100000755551_100000033007 [0,2,0,0,0,0|0,0,1]=3 13202 B13R0.54 C#CCCNCCOCCOC(=O)C 34a_100000755551_200000083610 [0,2,0,0,0,0|0,0,2]=4 13203 B13R0.54 C#CCCOCCCCCOC(=O)C 34a_100011215631_100000033007 [0,2,0,0,0,0|0,0,1]=3 13204 B13R0.54 C#CCCOCCOCCOC(=O)C 34a_100011215631_200000083610 [0,2,0,0,0,0|0,0,2]=4 13205 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000033007_100000688953 [0,2,0,0,0,0|0,0,1]=3 13206 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000688953_100000033007 [0,2,0,0,0,0|0,0,1]=3 13207 B13R0.54 C#CCCSCCOCCOC(=O)C 62a_100000688953_200000083610 [0,2,0,0,0,0|0,0,2]=4 13208 B13R0.54 C#CCCSCCOCCOC(=O)C 62a_200000083610_100000688953 [0,2,0,0,0,0|0,0,2]=4 13209 B13R0.54 C#CCNCCCCCCNC(=O)C 2230a_200011996284_100000038162 [0,2,0,0,0,0|1,0,1]=4 13210 B13R0.54 C#CCNCCCCCCNC(=O)C 34a_200011996284_100000184674 [0,2,0,0,0,0|1,0,1]=4 13211 B13R0.54 C#CCOCCNCCCOC(=O)C 34a_100000700922_100000042594 [0,2,0,0,0,0|0,0,2]=4 13212 B13R0.54 C#CCOCCOCCCOC(=O)C 34a_100000054580_100000042594 [0,2,0,0,0,0|0,0,2]=4 13213 B13R0.54 C#CCOCCOCCCOC(=O)C 7a_100000054580_100000042594 [0,2,0,0,0,0|0,0,2]=4 13214 B13R0.54 C#CCOCCSCCCOC(=O)C 62a_100000042594_100010402529 [0,2,0,0,0,0|0,0,2]=4 13215 B13R0.54 C#CCOCCSCCCOC(=O)C 62a_100010402529_100000042594 [0,2,0,0,0,0|0,0,2]=4 13216 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,2,0,0,0,0|0,0,1]=3 13217 B13R0.54 C/C=C/CCOCCCCSC(=O)C 34a_100016278192_200010402107 [0,2,0,0,0,0|0,1,1]=4 13218 B13R0.54 C/C=C/CCOCOCCOC(=O)C 34a_100016278192_100000076355 [0,2,0,0,0,0|0,0,2]=4 13219 B13R0.54 C/C=C/CNCCCCCNC(=O)C 34a_200012022750_100102629194 [0,2,0,0,0,0|1,0,1]=4 13220 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,2,0,0,0,0|0,0,1]=3 13221 B13R0.54 C/C=C/COCCOCCOC(=O)C 34a_100016270725_200000083610 [0,2,0,0,0,0|0,0,2]=4 13222 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,2,0,0,0,0|0,0,1]=3 13223 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,2,0,0,0,0|0,0,1]=3 13224 B13R0.54 C/C=C/CSCCOCCOC(=O)C 62a_100102629194_200000083610 [0,2,0,0,0,0|0,0,2]=4 13225 B13R0.54 C/C=C/CSCCOCCOC(=O)C 62a_200000083610_100102629194 [0,2,0,0,0,0|0,0,2]=4 13226 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|1,0,1]=4 13227 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|2,0,0]=4 13228 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|2,0,0]=4 13229 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 13230 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 13231 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 13232 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 13233 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 13234 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 13235 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 13236 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|1,0,0]=3 13237 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 13238 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 13239 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|2,0,0]=4 13240 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|2,0,0]=4 13241 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 13242 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 13243 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 13244 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 13245 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,2,0,0,0,0|2,0,0]=4 13246 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 13247 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 13248 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,2,0,0,0,0|1,1,0]=4 13249 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,2,0,0,0,0|1,1,0]=4 13250 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|2,0,0]=4 13251 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 13252 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|2,0,0]=4 13253 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|2,0,0]=4 13254 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|2,0,0]=4 13255 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|2,0,0]=4 13256 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 13257 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 13258 B13R0.54 C=C(C)COC/C=C/CCCCCC 34a_200016276170_100000748629 [0,2,0,0,0,0|1,0,1]=4 13259 B13R0.54 C=C(C)COC/C=C/CCCCCC 7a_200016276170_100000748629 [0,2,0,0,0,0|1,0,1]=4 13260 B13R0.54 C=C(C)COCC#CCCCCCC 34a_200000037284_100000748629 [0,2,0,0,0,0|1,0,1]=4 13261 B13R0.54 C=C(C)COCC#CCCCCCC 7a_200000037284_100000748629 [0,2,0,0,0,0|1,0,1]=4 13262 B13R0.54 C=C(C)COCC/C=C\CCCCC 34a_100016277358_100000748629 [0,2,0,0,0,0|1,0,1]=4 13263 B13R0.54 C=C(C)COCC/C=C\CCCCC 7a_100016277358_100000748629 [0,2,0,0,0,0|1,0,1]=4 13264 B13R0.54 C=C(C)COCCC#CCCCCC 34a_200000042877_100000748629 [0,2,0,0,0,0|1,0,1]=4 13265 B13R0.54 C=C(C)COCCC#CCCCCC 7a_200000042877_100000748629 [0,2,0,0,0,0|1,0,1]=4 13266 B13R0.54 C=C(C)COCCCC#CCCCC 34a_100000210245_200000047210 [0,2,0,0,0,0|1,0,1]=4 13267 B13R0.54 C=C(C)COCCCCC/C=C\CC 34a_100016268722_100000748629 [0,2,0,0,0,0|1,0,1]=4 13268 B13R0.54 C=C(C)COCCCCC/C=C\CC 7a_100016268722_100000748629 [0,2,0,0,0,0|1,0,1]=4 13269 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|1,0,0]=3 13270 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|1,0,0]=3 13271 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|1,0,0]=3 13272 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 13273 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 13274 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|1,0,0]=3 13275 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|1,0,0]=3 13276 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|1,0,0]=3 13277 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|1,0,0]=3 13278 B13R0.54 C=C(C)COCCCCCNCCN 34a_103619048469_100000748629 [0,2,0,0,0,0|2,0,0]=4 13279 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,2,0,0,0,0|1,0,0]=3 13280 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,2,0,0,0,0|1,0,0]=3 13281 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,2,0,0,0,0|1,0,0]=3 13282 B13R0.54 C=C(C)COCCCOCCCOC 34a_200011215475_100000748629 [0,2,0,0,0,0|2,0,0]=4 13283 B13R0.54 C=C(C)COCCCOCCCOC 7a_200011215475_100000748629 [0,2,0,0,0,0|2,0,0]=4 13284 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,2,0,0,0,0|1,0,0]=3 13285 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,2,0,0,0,0|1,0,0]=3 13286 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,2,0,0,0,0|1,1,0]=4 13287 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|1,1,0]=4 13288 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|1,1,0]=4 13289 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,2,0,0,0,0|1,0,1]=4 13290 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,2,0,0,0,0|1,0,1]=4 13291 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|1,0,1]=4 13292 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|1,0,1]=4 13293 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|1,0,1]=4 13294 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,2,0,0,0,0|1,0,1]=4 13295 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,2,0,0,0,0|1,0,1]=4 13296 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,2,0,0,0,0|1,0,1]=4 13297 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|1,0,1]=4 13298 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,2,0,0,0,0|1,0,1]=4 13299 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,2,0,0,0,0|1,0,1]=4 13300 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,2,0,0,0,0|1,0,1]=4 13301 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,2,0,0,0,0|1,0,1]=4 13302 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,2,0,0,0,0|1,0,1]=4 13303 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|1,0,0]=3 13304 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,2,0,0,0,0|1,0,1]=4 13305 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,2,0,0,0,0|1,0,1]=4 13306 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,2,0,0,0,0|1,0,1]=4 13307 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,2,0,0,0,0|1,0,1]=4 13308 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 13309 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 13310 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|0,0,1]=3 13311 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|1,0,1]=4 13312 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|1,0,1]=4 13313 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|1,0,1]=4 13314 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|0,0,2]=4 13315 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|0,0,2]=4 13316 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|0,0,2]=4 13317 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,2,0,0,0,0|0,0,1]=3 13318 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|1,0,1]=4 13319 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|1,0,1]=4 13320 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,2,0,0,0,0|0,0,1]=3 13321 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,2,0,0,0,0|0,0,1]=3 13322 B13R0.54 C=CCCCCCNCCNC(=O)C 2230a_100000209853_100000700193 [0,2,0,0,0,0|1,0,1]=4 13323 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|1,0,1]=4 13324 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|1,0,1]=4 13325 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|1,0,1]=4 13326 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|1,0,1]=4 13327 B13R0.54 C=CCCCCCOCCNC(=O)C 34a_100000158858_100000700193 [0,2,0,0,0,0|1,0,1]=4 13328 B13R0.54 C=CCCCCCOCCNC(=O)C 7a_100011216702_100000189650 [0,2,0,0,0,0|1,0,1]=4 13329 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,2,0,0,0,0|0,0,1]=3 13330 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,2,0,0,0,0|0,0,1]=3 13331 B13R0.54 C=CCCCCCOCCOC(=O)N 34a_100011216702_200011214921 [0,2,0,0,0,0|1,0,1]=4 13332 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100000766696_100000700193 [0,2,0,0,0,0|1,0,1]=4 13333 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100011216702_200011214921 [0,2,0,0,0,0|1,0,1]=4 13334 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|1,0,1]=4 13335 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|1,0,1]=4 13336 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000189650_100000700193 [0,2,0,0,0,0|1,0,1]=4 13337 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000700193_100000189650 [0,2,0,0,0,0|1,0,1]=4 13338 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,2,0,0,0,0|0,0,1]=3 13339 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,2,0,0,0,0|0,0,1]=3 13340 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_100000700193_200011214921 [0,2,0,0,0,0|1,0,1]=4 13341 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_200011214921_100000700193 [0,2,0,0,0,0|1,0,1]=4 13342 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|1,0,1]=4 13343 B13R0.54 C=CCCCCNCCCNC(=O)C 34a_100000736810_100011215482 [0,2,0,0,0,0|1,0,1]=4 13344 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,2,0,0,0,0|0,0,1]=3 13345 B13R0.54 C=CCCCCNCCCOC(=S)C 2230a_100000703577_200135323944 [0,2,0,0,0,0|0,1,1]=4 13346 B13R0.54 C=CCCCCNCCCOC(=S)C 34a_100000703577_200135323944 [0,2,0,0,0,0|0,1,1]=4 13347 B13R0.54 C=CCCCCNCCCSC(=O)C 2230a_100000703577_100000038929 [0,2,0,0,0,0|0,1,1]=4 13348 B13R0.54 C=CCCCCNCCCSC(=O)C 34a_100000703577_100000038929 [0,2,0,0,0,0|0,1,1]=4 13349 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|1,0,1]=4 13350 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|1,0,1]=4 13351 B13R0.54 C=CCCCCOCCCNC(=O)C 34a_100000752032_100011215482 [0,2,0,0,0,0|1,0,1]=4 13352 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,2,0,0,0,0|0,0,1]=3 13353 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,2,0,0,0,0|0,0,1]=3 13354 B13R0.54 C=CCCCCOCCCOC(=S)C 34a_100000766645_200135323944 [0,2,0,0,0,0|0,1,1]=4 13355 B13R0.54 C=CCCCCOCCCOC(=S)C 7a_100000766645_200135323944 [0,2,0,0,0,0|0,1,1]=4 13356 B13R0.54 C=CCCCCOCCCSC(=O)C 34a_100000766645_100000038929 [0,2,0,0,0,0|0,1,1]=4 13357 B13R0.54 C=CCCCCOCCCSC(=O)C 7a_100000766645_100000038929 [0,2,0,0,0,0|0,1,1]=4 13358 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|1,0,1]=4 13359 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|1,0,1]=4 13360 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,2,0,0,0,0|0,0,1]=3 13361 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,2,0,0,0,0|0,0,1]=3 13362 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_100011215482_200135323944 [0,2,0,0,0,0|0,1,1]=4 13363 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_200135323944_100011215482 [0,2,0,0,0,0|0,1,1]=4 13364 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100000038929_100011215482 [0,2,0,0,0,0|0,1,1]=4 13365 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100011215482_100000038929 [0,2,0,0,0,0|0,1,1]=4 13366 B13R0.54 C=CCCCNCCCCNC(=O)C 2230a_200011368371_100011713584 [0,2,0,0,0,0|1,0,1]=4 13367 B13R0.54 C=CCCCNCCCCNC(=O)C 34a_200011368371_100000757094 [0,2,0,0,0,0|1,0,1]=4 13368 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,2,0,0,0,0|0,0,1]=3 13369 B13R0.54 C=CCCCNCCCCSC(=O)C 2230a_100000700776_200010402107 [0,2,0,0,0,0|0,1,1]=4 13370 B13R0.54 C=CCCCNCCCCSC(=O)C 34a_100000700776_200010402107 [0,2,0,0,0,0|0,1,1]=4 13371 B13R0.54 C=CCCCNCOCCOC(=O)C 34a_100000700776_100000076355 [0,2,0,0,0,0|0,0,2]=4 13372 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,2,0,0,0,0|0,0,1]=3 13373 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,2,0,0,0,0|0,0,1]=3 13374 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,2,0,0,0,0|0,0,1]=3 13375 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,2,0,0,0,0|0,0,1]=3 13376 B13R0.54 C=CCCCOCCCCSC(=O)C 34a_100000758997_200010402107 [0,2,0,0,0,0|0,1,1]=4 13377 B13R0.54 C=CCCCOCCCCSC(=O)C 7a_100000758997_200010402107 [0,2,0,0,0,0|0,1,1]=4 13378 B13R0.54 C=CCCCOCOCCOC(=O)C 34a_100000758997_100000076355 [0,2,0,0,0,0|0,0,2]=4 13379 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,2,0,0,0,0|0,0,1]=3 13380 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,2,0,0,0,0|0,0,1]=3 13381 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_100011713584_200010402107 [0,2,0,0,0,0|0,1,1]=4 13382 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_200010402107_100000757094 [0,2,0,0,0,0|0,1,1]=4 13383 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100000076355_100000757094 [0,2,0,0,0,0|0,0,2]=4 13384 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100011713584_100000076355 [0,2,0,0,0,0|0,0,2]=4 13385 B13R0.54 C=CCCNCCCCCNC(=O)C 2230a_200012022750_100000754431 [0,2,0,0,0,0|1,0,1]=4 13386 B13R0.54 C=CCCNCCCCCNC(=O)C 34a_200012022750_100000754431 [0,2,0,0,0,0|1,0,1]=4 13387 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,2,0,0,0,0|0,0,1]=3 13388 B13R0.54 C=CCCNCCOCCOC(=O)C 2230a_100015191253_200000083610 [0,2,0,0,0,0|0,0,2]=4 13389 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,2,0,0,0,0|0,0,1]=3 13390 B13R0.54 C=CCCOCCOCCOC(=O)C 34a_100011205117_200000083610 [0,2,0,0,0,0|0,0,2]=4 13391 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,2,0,0,0,0|0,0,1]=3 13392 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,2,0,0,0,0|0,0,1]=3 13393 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_100000754431_200000083610 [0,2,0,0,0,0|0,0,2]=4 13394 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_200000083610_100000754431 [0,2,0,0,0,0|0,0,2]=4 13395 B13R0.54 C=CCNCCCCCCNC(=O)C 2230a_200011996284_100000210623 [0,2,0,0,0,0|1,0,1]=4 13396 B13R0.54 C=CCNCCCCCCNC(=O)C 34a_200011996284_100015514636 [0,2,0,0,0,0|1,0,1]=4 13397 B13R0.54 C=CCOCCOCCCOC(=O)C 34a_100000037705_100000042594 [0,2,0,0,0,0|0,0,2]=4 13398 B13R0.54 C=CCOCCOCCCOC(=O)C 7a_100000037705_100000042594 [0,2,0,0,0,0|0,0,2]=4 13399 B13R0.54 C=COCCCCOCCOC(=O)C 34a_100000031558_100009814007 [0,2,0,0,0,0|0,0,2]=4 13400 B13R0.54 C=COCCCCOCCOC(=O)C 7a_100000031558_100009814007 [0,2,0,0,0,0|0,0,2]=4 13401 B13R0.54 C=COCCCNCCCOC(=O)C 34a_100000210767_100000042594 [0,2,0,0,0,0|0,0,2]=4 13402 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000033082_100000033659 [0,2,0,0,0,0|0,0,2]=4 13403 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000073216_100000039644 [0,2,0,0,0,0|0,0,2]=4 13404 B13R0.54 C=COCCOCCCCOC(=O)C 7a_100000073216_100000039644 [0,2,0,0,0,0|0,0,2]=4 13405 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000033659_100000039644 [0,2,0,0,0,0|0,0,2]=4 13406 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000039644_100000033659 [0,2,0,0,0,0|0,0,2]=4 13407 B13R0.54 CC#CCCOCCCCOC(=O)C 34a_100000750427_100000033659 [0,2,0,0,0,0|0,0,1]=3 13408 B13R0.54 CC#CCCOCCCCSC(=O)C 34a_100000750427_200010402107 [0,2,0,0,0,0|0,1,1]=4 13409 B13R0.54 CC#CCCOCOCCOC(=O)C 34a_100000750427_100000076355 [0,2,0,0,0,0|0,0,2]=4 13410 B13R0.54 CC#CCNCCCCCNC(=O)C 2230a_200012022750_100000748600 [0,2,0,0,0,0|1,0,1]=4 13411 B13R0.54 CC#CCNCCCCCNC(=O)C 34a_200012022750_100000748600 [0,2,0,0,0,0|1,0,1]=4 13412 B13R0.54 CC#CCNCCCCCOC(=O)C 2230a_100000685387_100009813381 [0,2,0,0,0,0|0,0,1]=3 13413 B13R0.54 CC#CCNCCCCCOC(=O)C 34a_100000685387_100000033007 [0,2,0,0,0,0|0,0,1]=3 13414 B13R0.54 CC#CCNCCOCCOC(=O)C 2230a_100000685387_200000083610 [0,2,0,0,0,0|0,0,2]=4 13415 B13R0.54 CC#CCNCCOCCOC(=O)C 34a_100000685387_200000083610 [0,2,0,0,0,0|0,0,2]=4 13416 B13R0.54 CC#CCOCCCCCOC(=O)C 34a_100000761923_100000033007 [0,2,0,0,0,0|0,0,1]=3 13417 B13R0.54 CC#CCOCCOCCOC(=O)C 34a_100000761923_200000083610 [0,2,0,0,0,0|0,0,2]=4 13418 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000033007_100000748600 [0,2,0,0,0,0|0,0,1]=3 13419 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000748600_100000033007 [0,2,0,0,0,0|0,0,1]=3 13420 B13R0.54 CC#CCSCCOCCOC(=O)C 62a_100000748600_200000083610 [0,2,0,0,0,0|0,0,2]=4 13421 B13R0.54 CC#CCSCCOCCOC(=O)C 62a_200000083610_100000748600 [0,2,0,0,0,0|0,0,2]=4 13422 B13R0.54 CC(=CCCNCCCCCCO)C 2230a_100000686447_100011217483 [0,2,0,0,0,0|2,0,0]=4 13423 B13R0.54 CC(=CCCNCCCCCCO)C 34a_100000686447_100011217483 [0,2,0,0,0,0|2,0,0]=4 13424 B13R0.54 CC(=CCCOCCCCCCBr)C 34a_100011215345_100011217483 [0,2,0,0,0,0|2,0,0]=4 13425 B13R0.54 CC(=CCCOCCCCCCBr)C 7a_100011215345_100011217483 [0,2,0,0,0,0|2,0,0]=4 13426 B13R0.54 CC(=CCCOCCCCCCCl)C 34a_100000766143_100011217483 [0,2,0,0,0,0|2,0,0]=4 13427 B13R0.54 CC(=CCCOCCCCCCCl)C 7a_100000766143_100011217483 [0,2,0,0,0,0|2,0,0]=4 13428 B13R0.54 CC(=CCCOCCCCCCF)C 34a_100000732779_100011217483 [0,2,0,0,0,0|2,0,0]=4 13429 B13R0.54 CC(=CCCOCCCCCCF)C 7a_100000732779_100011217483 [0,2,0,0,0,0|2,0,0]=4 13430 B13R0.54 CC(=CCCOCCCCCCN)C 34a_100000686447_100011217483 [0,2,0,0,0,0|2,0,0]=4 13431 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100011217483_100015922095 [0,2,0,0,0,0|2,0,0]=4 13432 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100015922095_100011217483 [0,2,0,0,0,0|2,0,0]=4 13433 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100000766143_100011217483 [0,2,0,0,0,0|2,0,0]=4 13434 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100011217483_100000766143 [0,2,0,0,0,0|2,0,0]=4 13435 B13R0.54 CC(=CCNCCCCCCCO)C 2230a_100011996573_100000761012 [0,2,0,0,0,0|2,0,0]=4 13436 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100000718196_100000760002 [0,2,0,0,0,0|2,0,0]=4 13437 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100011996573_100000761012 [0,2,0,0,0,0|2,0,0]=4 13438 B13R0.54 CC(=CCOCCCCCCCBr)C 34a_100000760002_100000761012 [0,2,0,0,0,0|2,0,0]=4 13439 B13R0.54 CC(=CCOCCCCCCCBr)C 7a_100000760002_100000761012 [0,2,0,0,0,0|2,0,0]=4 13440 B13R0.54 CC(=CCOCCCCCCCN)C 34a_100011996573_100000761012 [0,2,0,0,0,0|2,0,0]=4 13441 B13R0.54 CC(=CCOCCCCCCCO)C 34a_100000753907_100000760002 [0,2,0,0,0,0|2,0,0]=4 13442 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000760002_100000761012 [0,2,0,0,0,0|2,0,0]=4 13443 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000761012_100000760002 [0,2,0,0,0,0|2,0,0]=4 13444 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|1,0,0]=3 13445 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,0]=3 13446 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,2,0,0,0,0|2,0,0]=4 13447 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|1,0,0]=3 13448 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|1,0,0]=3 13449 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|1,0,0]=3 13450 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|1,0,0]=3 13451 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|1,0,0]=3 13452 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|1,0,0]=3 13453 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,0]=3 13454 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,2,0,0,0,0|2,0,0]=4 13455 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,2,0,0,0,0|2,0,0]=4 13456 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,2,0,0,0,0|2,0,0]=4 13457 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,2,0,0,0,0|2,0,0]=4 13458 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,2,0,0,0,0|2,0,0]=4 13459 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,2,0,0,0,0|2,0,0]=4 13460 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,2,0,0,0,0|2,0,0]=4 13461 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,2,0,0,0,0|2,0,0]=4 13462 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,2,0,0,0,0|2,0,0]=4 13463 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,2,0,0,0,0|1,0,1]=4 13464 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,2,0,0,0,0|1,0,1]=4 13465 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,2,0,0,0,0|1,0,1]=4 13466 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,2,0,0,0,0|1,0,1]=4 13467 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|1,0,0]=3 13468 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|1,0,0]=3 13469 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|1,0,0]=3 13470 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|1,0,0]=3 13471 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,2,0,0,0,0|2,0,0]=4 13472 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,2,0,0,0,0|2,0,0]=4 13473 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,0]=3 13474 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,2,0,0,0,0|1,0,1]=4 13475 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,2,0,0,0,0|1,0,1]=4 13476 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|1,0,0]=3 13477 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|1,0,0]=3 13478 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|1,0,0]=3 13479 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|1,0,0]=3 13480 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|1,0,0]=3 13481 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|1,0,0]=3 13482 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|1,0,0]=3 13483 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|1,0,0]=3 13484 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,0]=3 13485 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|1,0,0]=3 13486 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|1,0,0]=3 13487 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,2,0,0,0,0|1,0,1]=4 13488 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,2,0,0,0,0|1,0,1]=4 13489 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,2,0,0,0,0|1,0,1]=4 13490 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,2,0,0,0,0|1,0,1]=4 13491 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|1,0,0]=3 13492 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|1,0,0]=3 13493 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|1,0,0]=3 13494 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|1,0,0]=3 13495 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,2,0,0,0,0|1,0,1]=4 13496 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|1,0,0]=3 13497 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|1,0,0]=3 13498 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|1,0,0]=3 13499 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,2,0,0,0,0|1,0,1]=4 13500 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,2,0,0,0,0|1,0,1]=4 13501 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|1,0,0]=3 13502 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|1,0,0]=3 13503 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|0,0,0]=2 13504 B13R0.54 CC(=O)COCCOCCOCCO 1458a_100010423381_200000210301 [0,2,0,0,0,0|2,0,0]=4 13505 B13R0.54 CC(=O)COCCOCCOCCO 34a_100000211253_100000032323 [0,2,0,0,0,0|2,0,0]=4 13506 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|1,0,0]=3 13507 B13R0.54 CC(=O)NCCCCCCNCC#N 2230a_200011996284_100011215382 [0,2,0,0,0,0|1,0,1]=4 13508 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,2,0,0,0,0|1,0,1]=4 13509 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,2,0,0,0,0|1,0,1]=4 13510 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,2,0,0,0,0|1,0,0]=3 13511 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,2,0,0,0,0|1,0,0]=3 13512 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,2,0,0,0,0|1,0,0]=3 13513 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,2,0,0,0,0|1,0,0]=3 13514 B13R0.54 CC(=O)NCCCCCNCCC#N 2230a_200012022750_100011215226 [0,2,0,0,0,0|1,0,1]=4 13515 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,2,0,0,0,0|1,0,0]=3 13516 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,2,0,0,0,0|1,0,0]=3 13517 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,2,0,0,0,0|1,0,0]=3 13518 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,2,0,0,0,0|1,0,0]=3 13519 B13R0.54 CC(=O)NCCCCNCCCC#N 2230a_200011368371_100000687738 [0,2,0,0,0,0|1,0,1]=4 13520 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,2,0,0,0,0|1,0,1]=4 13521 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,2,0,0,0,0|1,0,0]=3 13522 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,2,0,0,0,0|1,0,0]=3 13523 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,2,0,0,0,0|1,0,0]=3 13524 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,2,0,0,0,0|1,0,0]=3 13525 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,2,0,0,0,0|1,0,0]=3 13526 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,2,0,0,0,0|1,0,0]=3 13527 B13R0.54 CC(=O)NCCCNCCOCCO 34a_100000736810_100000692535 [0,2,0,0,0,0|2,0,0]=4 13528 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,2,0,0,0,0|1,0,0]=3 13529 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,2,0,0,0,0|1,0,0]=3 13530 B13R0.54 CC(=O)NCCCOCCOCCO 240690a_100011996194_100015343762 [0,2,0,0,0,0|2,0,0]=4 13531 B13R0.54 CC(=O)NCCCOCCOCCO 34a_100000752032_100000692535 [0,2,0,0,0,0|2,0,0]=4 13532 B13R0.54 CC(=O)NCCNCCCCCC#N 2230a_100000209853_100009813376 [0,2,0,0,0,0|1,0,1]=4 13533 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,2,0,0,0,0|1,0,1]=4 13534 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,2,0,0,0,0|1,0,0]=3 13535 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,2,0,0,0,0|1,0,0]=3 13536 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,2,0,0,0,0|1,0,0]=3 13537 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,2,0,0,0,0|1,0,0]=3 13538 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,2,0,0,0,0|1,0,0]=3 13539 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,2,0,0,0,0|1,0,0]=3 13540 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,2,0,0,0,0|1,0,0]=3 13541 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,2,0,0,0,0|1,0,0]=3 13542 B13R0.54 CC(=O)NCCSCCCCCC#N 62a_100000189650_100009813376 [0,2,0,0,0,0|1,0,1]=4 13543 B13R0.54 CC(=O)NCCSCCCCCC#N 62a_100009813376_100000189650 [0,2,0,0,0,0|1,0,1]=4 13544 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,2,0,0,0,0|1,0,1]=4 13545 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,2,0,0,0,0|1,0,1]=4 13546 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,2,0,0,0,0|1,0,0]=3 13547 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,2,0,0,0,0|1,0,0]=3 13548 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,2,0,0,0,0|1,0,0]=3 13549 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,2,0,0,0,0|1,0,0]=3 13550 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,2,0,0,0,0|0,0,0]=2 13551 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,2,0,0,0,0|0,0,0]=2 13552 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,2,0,0,0,0|0,0,0]=2 13553 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,2,0,0,0,0|0,0,0]=2 13554 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,2,0,0,0,0|0,0,0]=2 13555 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,2,0,0,0,0|0,0,0]=2 13556 B13R0.54 CC(=O)OCCCCCOCCON 34a_100000700252_100000033007 [0,2,0,0,0,0|1,0,0]=3 13557 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100000033007_100011215226 [0,2,0,0,0,0|0,0,1]=3 13558 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100011215226_100000033007 [0,2,0,0,0,0|0,0,1]=3 13559 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,2,0,0,0,0|0,0,0]=2 13560 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,2,0,0,0,0|0,0,0]=2 13561 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,2,0,0,0,0|0,0,0]=2 13562 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,2,0,0,0,0|0,0,0]=2 13563 B13R0.54 CC(=O)OCCCCCSCSC#N 62a_100000033007_100000211825 [0,2,0,0,0,0|1,0,1]=4 13564 B13R0.54 CC(=O)OCCCCCSCSC#N 62a_100000211825_100000033007 [0,2,0,0,0,0|1,0,1]=4 13565 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,2,0,0,0,0|0,0,0]=2 13566 B13R0.54 CC(=O)OCCCCOCC#CCCl 34a_200000047223_100000033659 [0,2,0,0,0,0|0,0,2]=4 13567 B13R0.54 CC(=O)OCCCCOCC#CCO 34a_100000073216_200000047223 [0,2,0,0,0,0|0,0,2]=4 13568 B13R0.54 CC(=O)OCCCCOCC#CCO 7a_100000073216_200000047223 [0,2,0,0,0,0|0,0,2]=4 13569 B13R0.54 CC(=O)OCCCCOCCCC#N 7a_100000073216_100000687738 [0,2,0,0,0,0|0,0,1]=3 13570 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,2,0,0,0,0|0,0,1]=3 13571 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,2,0,0,0,0|0,0,0]=2 13572 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,2,0,0,0,0|0,0,0]=2 13573 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,2,0,0,0,0|0,0,0]=2 13574 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,2,0,0,0,0|0,0,0]=2 13575 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,2,0,0,0,0|0,0,0]=2 13576 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,2,0,0,0,0|0,0,0]=2 13577 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,2,0,0,0,0|0,0,0]=2 13578 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,2,0,0,0,0|0,0,0]=2 13579 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,2,0,0,0,0|0,0,0]=2 13580 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,2,0,0,0,0|0,0,0]=2 13581 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,2,0,0,0,0|0,0,0]=2 13582 B13R0.54 CC(=O)OCCCCSCC#CCO 62a_100000033659_200000047223 [0,2,0,0,0,0|0,0,2]=4 13583 B13R0.54 CC(=O)OCCCCSCC#CCO 62a_200000047223_100000033659 [0,2,0,0,0,0|0,0,2]=4 13584 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000033659_100000687738 [0,2,0,0,0,0|0,0,1]=3 13585 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000687738_100000033659 [0,2,0,0,0,0|0,0,1]=3 13586 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,2,0,0,0,0|0,0,1]=3 13587 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,2,0,0,0,0|0,0,1]=3 13588 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,2,0,0,0,0|0,0,0]=2 13589 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,2,0,0,0,0|0,0,0]=2 13590 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,2,0,0,0,0|0,0,0]=2 13591 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,2,0,0,0,0|0,0,0]=2 13592 B13R0.54 CC(=O)OCCCCSCCSC#N 62a_100000033659_100000034367 [0,2,0,0,0,0|1,0,1]=4 13593 B13R0.54 CC(=O)OCCCCSCCSC#N 62a_100000034367_100000033659 [0,2,0,0,0,0|1,0,1]=4 13594 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,2,0,0,0,0|0,0,0]=2 13595 B13R0.54 CC(=O)OCCCNCCOCCO 34a_100000211614_100000042594 [0,2,0,0,0,0|1,0,0]=3 13596 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,2,0,0,0,0|0,0,0]=2 13597 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,2,0,0,0,0|0,0,0]=2 13598 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,2,0,0,0,0|0,0,0]=2 13599 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,2,0,0,0,0|0,0,0]=2 13600 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,2,0,0,0,0|0,0,0]=2 13601 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,2,0,0,0,0|0,0,0]=2 13602 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,2,0,0,0,0|0,0,0]=2 13603 B13R0.54 CC(=O)OCCCOCCOCCBr 34a_100000692535_100000042594 [0,2,0,0,0,0|1,0,0]=3 13604 B13R0.54 CC(=O)OCCCOCCOCCBr 7a_100000692535_100000042594 [0,2,0,0,0,0|1,0,0]=3 13605 B13R0.54 CC(=O)OCCCOCCOCCCl 34a_100011215305_100000042594 [0,2,0,0,0,0|1,0,0]=3 13606 B13R0.54 CC(=O)OCCCOCCOCCCl 7a_100011215305_100000042594 [0,2,0,0,0,0|1,0,0]=3 13607 B13R0.54 CC(=O)OCCCOCCOCCF 34a_200015357709_100000042594 [0,2,0,0,0,0|1,0,0]=3 13608 B13R0.54 CC(=O)OCCCOCCOCCF 7a_200015357709_100000042594 [0,2,0,0,0,0|1,0,0]=3 13609 B13R0.54 CC(=O)OCCCOCCOCCI 34a_100012149058_100000042594 [0,2,0,0,0,0|1,0,0]=3 13610 B13R0.54 CC(=O)OCCCOCCOCCI 7a_100012149058_100000042594 [0,2,0,0,0,0|1,0,0]=3 13611 B13R0.54 CC(=O)OCCCOCCOCCN 34a_100000211614_100000042594 [0,2,0,0,0,0|1,0,0]=3 13612 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100000042594_100000211819 [0,2,0,0,0,0|0,0,1]=3 13613 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100011219923_100000042594 [0,2,0,0,0,0|0,0,1]=3 13614 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,2,0,0,0,0|0,0,1]=3 13615 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,2,0,0,0,0|0,0,1]=3 13616 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,2,0,0,0,0|0,0,0]=2 13617 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,2,0,0,0,0|0,0,0]=2 13618 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,2,0,0,0,0|0,0,0]=2 13619 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,2,0,0,0,0|0,0,0]=2 13620 B13R0.54 CC(=O)OCCCSCCOCC#N 62a_100000042594_200000047693 [0,2,0,0,0,0|1,0,1]=4 13621 B13R0.54 CC(=O)OCCCSCCOCC#N 62a_200000047693_100000042594 [0,2,0,0,0,0|1,0,1]=4 13622 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100000042594_100011215305 [0,2,0,0,0,0|1,0,0]=3 13623 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100011215305_100000042594 [0,2,0,0,0,0|1,0,0]=3 13624 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,2,0,0,0,0|0,0,0]=2 13625 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,2,0,0,0,0|0,0,0]=2 13626 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,2,0,0,0,0|0,0,0]=2 13627 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,2,0,0,0,0|0,0,0]=2 13628 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,2,0,0,0,0|0,0,0]=2 13629 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,2,0,0,0,0|0,0,0]=2 13630 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,2,0,0,0,0|0,0,0]=2 13631 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,2,0,0,0,0|0,0,0]=2 13632 B13R0.54 CC(=O)OCCOCCNCCCF 2230a_100015189416_200000083610 [0,2,0,0,0,0|1,0,0]=3 13633 B13R0.54 CC(=O)OCCOCCNCCCF 34a_100015189416_200000083610 [0,2,0,0,0,0|1,0,0]=3 13634 B13R0.54 CC(=O)OCCOCCOCCCBr 34a_100011217188_200000083610 [0,2,0,0,0,0|1,0,0]=3 13635 B13R0.54 CC(=O)OCCOCCOCCCCl 34a_100000230001_200000083610 [0,2,0,0,0,0|1,0,0]=3 13636 B13R0.54 CC(=O)OCCOCCOCCCF 34a_100000759539_200000083610 [0,2,0,0,0,0|1,0,0]=3 13637 B13R0.54 CC(=O)OCCOCCOCCCN 34a_100000182051_200000083610 [0,2,0,0,0,0|1,0,0]=3 13638 B13R0.54 CC(=O)OCCOCCOCCON 34a_100000700252_200000083610 [0,2,0,0,0,0|2,0,0]=4 13639 B13R0.54 CC(=O)OCCOCCSCCC#N 62a_100011215226_200000083610 [0,2,0,0,0,0|1,0,1]=4 13640 B13R0.54 CC(=O)OCCOCCSCCC#N 62a_200000083610_100011215226 [0,2,0,0,0,0|1,0,1]=4 13641 B13R0.54 CC(=O)OCCOCCSCCCF 62a_100011934791_200000083610 [0,2,0,0,0,0|1,0,0]=3 13642 B13R0.54 CC(=O)OCCOCCSCCCF 62a_200000083610_100011934791 [0,2,0,0,0,0|1,0,0]=3 13643 B13R0.54 CC(=O)OCCOCCSCCCO 62a_100011215043_200000083610 [0,2,0,0,0,0|1,0,0]=3 13644 B13R0.54 CC(=O)OCCOCCSCCCO 62a_200000083610_100011215043 [0,2,0,0,0,0|1,0,0]=3 13645 B13R0.54 CC(=O)OCCOCNCCCCO 34a_100000750430_100000076355 [0,2,0,0,0,0|1,0,0]=3 13646 B13R0.54 CC(=O)OCCOCOCCCCBr 34a_100011216708_100000076355 [0,2,0,0,0,0|1,0,0]=3 13647 B13R0.54 CC(=O)OCCOCOCCCCCl 34a_100000210776_100000076355 [0,2,0,0,0,0|1,0,0]=3 13648 B13R0.54 CC(=O)OCCOCOCCCCF 34a_100011995726_100000076355 [0,2,0,0,0,0|1,0,0]=3 13649 B13R0.54 CC(=O)OCCOCOCCCCI 34a_200012148704_100000076355 [0,2,0,0,0,0|1,0,0]=3 13650 B13R0.54 CC(=O)OCCOCOCCCCN 34a_100000750430_100000076355 [0,2,0,0,0,0|1,0,0]=3 13651 B13R0.54 CC(=O)OCCOCSCCCC#N 62a_100000076355_100000687738 [0,2,0,0,0,0|1,0,1]=4 13652 B13R0.54 CC(=O)OCCOCSCCCC#N 62a_100000687738_100000076355 [0,2,0,0,0,0|1,0,1]=4 13653 B13R0.54 CC(=O)OCCOCSCCCC=O 62a_100000076355_200011292268 [0,2,0,0,0,0|1,0,1]=4 13654 B13R0.54 CC(=O)OCCOCSCCCC=O 62a_200011292268_100000076355 [0,2,0,0,0,0|1,0,1]=4 13655 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000076355_100000729493 [0,2,0,0,0,0|1,0,0]=3 13656 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000729493_100000076355 [0,2,0,0,0,0|1,0,0]=3 13657 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000076355_100000210776 [0,2,0,0,0,0|1,0,0]=3 13658 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000210776_100000076355 [0,2,0,0,0,0|1,0,0]=3 13659 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009813376_100009814007 [0,2,0,0,0,0|0,0,1]=3 13660 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009814007_100009813376 [0,2,0,0,0,0|0,0,1]=3 13661 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,2,0,0,0,0|0,0,1]=3 13662 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,2,0,0,0,0|0,0,1]=3 13663 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,2,0,0,0,0|0,0,0]=2 13664 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,2,0,0,0,0|0,0,0]=2 13665 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,2,0,0,0,0|0,0,0]=2 13666 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,2,0,0,0,0|0,0,0]=2 13667 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,2,0,0,0,0|0,0,0]=2 13668 B13R0.54 CC(=O)OCNCCCOCCCO 34a_100011310245_100009813279 [0,2,0,0,0,0|1,0,0]=3 13669 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,2,0,0,0,0|0,0,0]=2 13670 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,2,0,0,0,0|0,0,0]=2 13671 B13R0.54 CC(=O)OCOCCCOCCCN 34a_100011310245_100009813279 [0,2,0,0,0,0|1,0,0]=3 13672 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100000076356_100009813337 [0,2,0,0,0,0|0,0,1]=3 13673 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100009813337_100000076356 [0,2,0,0,0,0|0,0,1]=3 13674 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,2,0,0,0,0|0,0,0]=2 13675 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,2,0,0,0,0|0,0,0]=2 13676 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,2,0,0,0,0|0,1,0]=3 13677 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,2,0,0,0,0|0,1,0]=3 13678 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,2,0,0,0,0|0,1,0]=3 13679 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,2,0,0,0,0|0,1,0]=3 13680 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,2,0,0,0,0|0,1,0]=3 13681 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,2,0,0,0,0|0,1,0]=3 13682 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,2,0,0,0,0|0,1,0]=3 13683 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,2,0,0,0,0|0,1,0]=3 13684 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,2,0,0,0,0|0,1,0]=3 13685 B13R0.54 CC(=O)SCCCCSCCCC#N 62a_100000687738_200010402107 [0,2,0,0,0,0|0,1,1]=4 13686 B13R0.54 CC(=O)SCCCCSCCCC#N 62a_200010402107_100000687738 [0,2,0,0,0,0|0,1,1]=4 13687 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,2,0,0,0,0|0,1,1]=4 13688 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,2,0,0,0,0|0,1,1]=4 13689 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,2,0,0,0,0|0,1,0]=3 13690 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,2,0,0,0,0|0,1,0]=3 13691 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,2,0,0,0,0|0,1,0]=3 13692 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,2,0,0,0,0|0,1,0]=3 13693 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,2,0,0,0,0|0,1,0]=3 13694 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,2,0,0,0,0|0,1,0]=3 13695 B13R0.54 CC(=O)SCCCNCCOCCO 2230a_100000211614_100000038929 [0,2,0,0,0,0|1,1,0]=4 13696 B13R0.54 CC(=O)SCCCNCCOCCO 34a_100000211614_100000038929 [0,2,0,0,0,0|1,1,0]=4 13697 B13R0.54 CC(=O)SCCCNCCSCCO 2230a_100011219999_100000038929 [0,2,0,0,0,0|1,1,0]=4 13698 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,2,0,0,0,0|0,1,0]=3 13699 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,2,0,0,0,0|0,1,0]=3 13700 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,2,0,0,0,0|0,1,0]=3 13701 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,2,0,0,0,0|0,1,0]=3 13702 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,2,0,0,0,0|0,1,0]=3 13703 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,2,0,0,0,0|0,1,0]=3 13704 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,2,0,0,0,0|0,1,0]=3 13705 B13R0.54 CC(=O)SCCCOCCOCCBr 34a_100000692535_100000038929 [0,2,0,0,0,0|1,1,0]=4 13706 B13R0.54 CC(=O)SCCCOCCOCCBr 7a_100000692535_100000038929 [0,2,0,0,0,0|1,1,0]=4 13707 B13R0.54 CC(=O)SCCCOCCOCCCl 34a_100011215305_100000038929 [0,2,0,0,0,0|1,1,0]=4 13708 B13R0.54 CC(=O)SCCCOCCOCCCl 7a_100011215305_100000038929 [0,2,0,0,0,0|1,1,0]=4 13709 B13R0.54 CC(=O)SCCCOCCOCCF 34a_200015357709_100000038929 [0,2,0,0,0,0|1,1,0]=4 13710 B13R0.54 CC(=O)SCCCOCCOCCF 7a_200015357709_100000038929 [0,2,0,0,0,0|1,1,0]=4 13711 B13R0.54 CC(=O)SCCCOCCOCCI 34a_100012149058_100000038929 [0,2,0,0,0,0|1,1,0]=4 13712 B13R0.54 CC(=O)SCCCOCCOCCI 7a_100012149058_100000038929 [0,2,0,0,0,0|1,1,0]=4 13713 B13R0.54 CC(=O)SCCCOCCOCCN 34a_100000211614_100000038929 [0,2,0,0,0,0|1,1,0]=4 13714 B13R0.54 CC(=O)SCCCSCCCCC#N 62a_100000038929_100000211819 [0,2,0,0,0,0|0,1,1]=4 13715 B13R0.54 CC(=O)SCCCSCCCCC#N 62a_100011219923_100000038929 [0,2,0,0,0,0|0,1,1]=4 13716 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,2,0,0,0,0|0,1,1]=4 13717 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,2,0,0,0,0|0,1,1]=4 13718 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,2,0,0,0,0|0,1,0]=3 13719 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,2,0,0,0,0|0,1,0]=3 13720 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,2,0,0,0,0|0,1,0]=3 13721 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,2,0,0,0,0|0,1,0]=3 13722 B13R0.54 CC(=O)SCCCSCCOCCO 62a_100000038929_100011215305 [0,2,0,0,0,0|1,1,0]=4 13723 B13R0.54 CC(=O)SCCCSCCOCCO 62a_100011215305_100000038929 [0,2,0,0,0,0|1,1,0]=4 13724 B13R0.54 CC(=S)OCCCNCCCCCO 2230a_100000762737_200135323944 [0,2,0,0,0,0|0,1,0]=3 13725 B13R0.54 CC(=S)OCCCNCCCCCO 34a_100000762737_200135323944 [0,2,0,0,0,0|0,1,0]=3 13726 B13R0.54 CC(=S)OCCCNCCOCCO 2230a_100000211614_200135323944 [0,2,0,0,0,0|1,1,0]=4 13727 B13R0.54 CC(=S)OCCCNCCOCCO 34a_100000211614_200135323944 [0,2,0,0,0,0|1,1,0]=4 13728 B13R0.54 CC(=S)OCCCNCCSCCO 2230a_100011219999_200135323944 [0,2,0,0,0,0|1,1,0]=4 13729 B13R0.54 CC(=S)OCCCOCCCCCBr 34a_100000746331_200135323944 [0,2,0,0,0,0|0,1,0]=3 13730 B13R0.54 CC(=S)OCCCOCCCCCBr 7a_100000746331_200135323944 [0,2,0,0,0,0|0,1,0]=3 13731 B13R0.54 CC(=S)OCCCOCCCCCCl 34a_100000746330_200135323944 [0,2,0,0,0,0|0,1,0]=3 13732 B13R0.54 CC(=S)OCCCOCCCCCCl 7a_100000746330_200135323944 [0,2,0,0,0,0|0,1,0]=3 13733 B13R0.54 CC(=S)OCCCOCCCCCI 34a_200012148887_200135323944 [0,2,0,0,0,0|0,1,0]=3 13734 B13R0.54 CC(=S)OCCCOCCCCCI 7a_200012148887_200135323944 [0,2,0,0,0,0|0,1,0]=3 13735 B13R0.54 CC(=S)OCCCOCCCCCN 34a_100000762737_200135323944 [0,2,0,0,0,0|0,1,0]=3 13736 B13R0.54 CC(=S)OCCCOCCOCCBr 34a_100000692535_200135323944 [0,2,0,0,0,0|1,1,0]=4 13737 B13R0.54 CC(=S)OCCCOCCOCCBr 7a_100000692535_200135323944 [0,2,0,0,0,0|1,1,0]=4 13738 B13R0.54 CC(=S)OCCCOCCOCCCl 34a_100011215305_200135323944 [0,2,0,0,0,0|1,1,0]=4 13739 B13R0.54 CC(=S)OCCCOCCOCCCl 7a_100011215305_200135323944 [0,2,0,0,0,0|1,1,0]=4 13740 B13R0.54 CC(=S)OCCCOCCOCCF 34a_200015357709_200135323944 [0,2,0,0,0,0|1,1,0]=4 13741 B13R0.54 CC(=S)OCCCOCCOCCF 7a_200015357709_200135323944 [0,2,0,0,0,0|1,1,0]=4 13742 B13R0.54 CC(=S)OCCCOCCOCCI 34a_100012149058_200135323944 [0,2,0,0,0,0|1,1,0]=4 13743 B13R0.54 CC(=S)OCCCOCCOCCI 7a_100012149058_200135323944 [0,2,0,0,0,0|1,1,0]=4 13744 B13R0.54 CC(=S)OCCCOCCOCCN 34a_100000211614_200135323944 [0,2,0,0,0,0|1,1,0]=4 13745 B13R0.54 CC(=S)OCCCSCCCCC#N 62a_100011219923_200135323944 [0,2,0,0,0,0|0,1,1]=4 13746 B13R0.54 CC(=S)OCCCSCCCCC#N 62a_200135323944_100000211819 [0,2,0,0,0,0|0,1,1]=4 13747 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_100000139335_200135323944 [0,2,0,0,0,0|0,1,1]=4 13748 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_200135323944_100000139335 [0,2,0,0,0,0|0,1,1]=4 13749 B13R0.54 CC(=S)OCCCSCCCCCF 62a_100000729378_200135323944 [0,2,0,0,0,0|0,1,0]=3 13750 B13R0.54 CC(=S)OCCCSCCCCCF 62a_200135323944_100000729378 [0,2,0,0,0,0|0,1,0]=3 13751 B13R0.54 CC(=S)OCCCSCCCCCO 62a_100000746330_200135323944 [0,2,0,0,0,0|0,1,0]=3 13752 B13R0.54 CC(=S)OCCCSCCCCCO 62a_200135323944_100000746330 [0,2,0,0,0,0|0,1,0]=3 13753 B13R0.54 CC(=S)OCCCSCCOCCO 62a_100011215305_200135323944 [0,2,0,0,0,0|1,1,0]=4 13754 B13R0.54 CC(=S)OCCCSCCOCCO 62a_200135323944_100011215305 [0,2,0,0,0,0|1,1,0]=4 13755 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,2,0,0,0,0|1,0,1]=4 13756 B13R0.54 CC(C)COCCCCCCCCBr 34a_100009813846_100000210624 [0,2,0,0,0,0|1,0,1]=4 13757 B13R0.54 CC(C)COCCCCCCCCBr 7a_100009813846_100000210760 [0,2,0,0,0,0|1,0,1]=4 13758 B13R0.54 CC(C)COCCCCCCCCCl 34a_100000033203_100000210624 [0,2,0,0,0,0|1,0,1]=4 13759 B13R0.54 CC(C)COCCCCCCCCCl 7a_100000033203_100000210760 [0,2,0,0,0,0|1,0,1]=4 13760 B13R0.54 CC(C)COCCCCCCCCN 34a_102515433106_100000210624 [0,2,0,0,0,0|1,0,1]=4 13761 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,2,0,0,0,0|1,0,1]=4 13762 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 13763 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 13764 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,2,0,0,0,0|1,0,1]=4 13765 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,2,0,0,0,0|1,0,1]=4 13766 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,2,0,0,0,0|1,0,1]=4 13767 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,2,0,0,0,0|1,0,1]=4 13768 B13R0.54 CC(C)OCCCNCCCCCF 2230a_100000737246_100000729378 [0,2,0,0,0,0|1,0,1]=4 13769 B13R0.54 CC(C)OCCCNCCCCCF 34a_100000737246_100000729378 [0,2,0,0,0,0|1,0,1]=4 13770 B13R0.54 CC(C)OCCCNCCCCCO 2230a_100000737246_100000746330 [0,2,0,0,0,0|1,0,1]=4 13771 B13R0.54 CC(C)OCCCNCCCCCO 34a_100000737246_100000746330 [0,2,0,0,0,0|1,0,1]=4 13772 B13R0.54 CC(C)OCCNCCCCCCF 2230a_100000701111_100015922095 [0,2,0,0,0,0|1,0,1]=4 13773 B13R0.54 CC(C)OCCNCCCCCCF 34a_100000701111_100015922095 [0,2,0,0,0,0|1,0,1]=4 13774 B13R0.54 CC(C)OCCNCCCCCCO 2230a_100000686447_100000211751 [0,2,0,0,0,0|1,0,1]=4 13775 B13R0.54 CC(C)OCCNCCCCCCO 2230a_100000701111_100000766143 [0,2,0,0,0,0|1,0,1]=4 13776 B13R0.54 CC(C)OCCNCCCCCCO 34a_100000686447_100000211751 [0,2,0,0,0,0|1,0,1]=4 13777 B13R0.54 CC(C)OCCNCCCCCCO 34a_100000701111_100000766143 [0,2,0,0,0,0|1,0,1]=4 13778 B13R0.54 CC(C)OCCOCCCCCCBr 34a_100011215345_100000211751 [0,2,0,0,0,0|1,0,1]=4 13779 B13R0.54 CC(C)OCCOCCCCCCBr 7a_100011215345_100000211751 [0,2,0,0,0,0|1,0,1]=4 13780 B13R0.54 CC(C)OCCOCCCCCCCl 34a_100000766143_100000211751 [0,2,0,0,0,0|1,0,1]=4 13781 B13R0.54 CC(C)OCCOCCCCCCCl 7a_100000766143_100000211751 [0,2,0,0,0,0|1,0,1]=4 13782 B13R0.54 CC(C)OCCOCCCCCCF 34a_100000211219_100015922095 [0,2,0,0,0,0|1,0,1]=4 13783 B13R0.54 CC(C)OCCOCCCCCCF 34a_100000732779_100000211751 [0,2,0,0,0,0|1,0,1]=4 13784 B13R0.54 CC(C)OCCOCCCCCCF 7a_100000211219_100015922095 [0,2,0,0,0,0|1,0,1]=4 13785 B13R0.54 CC(C)OCCOCCCCCCF 7a_100000732779_100000211751 [0,2,0,0,0,0|1,0,1]=4 13786 B13R0.54 CC(C)OCCOCCCCCCN 34a_100000686447_100000211751 [0,2,0,0,0,0|1,0,1]=4 13787 B13R0.54 CC(C)OCCOCCCCCCO 34a_100000211219_100000766143 [0,2,0,0,0,0|1,0,1]=4 13788 B13R0.54 CC(C)OCCOCCCCCCO 7a_100000211219_100000766143 [0,2,0,0,0,0|1,0,1]=4 13789 B13R0.54 CC(C)OCCSCCCCCCF 62a_100000211751_100015922095 [0,2,0,0,0,0|1,0,1]=4 13790 B13R0.54 CC(C)OCCSCCCCCCF 62a_100015922095_100000211751 [0,2,0,0,0,0|1,0,1]=4 13791 B13R0.54 CC(C)OCCSCCCCCCO 62a_100000211751_100000766143 [0,2,0,0,0,0|1,0,1]=4 13792 B13R0.54 CC(C)OCCSCCCCCCO 62a_100000766143_100000211751 [0,2,0,0,0,0|1,0,1]=4 13793 B13R0.54 CC(C)OCNCCCCCCCO 2230a_100011996573_100000709892 [0,2,0,0,0,0|1,0,1]=4 13794 B13R0.54 CC(C)OCNCCCCCCCO 34a_100011996573_100000709892 [0,2,0,0,0,0|1,0,1]=4 13795 B13R0.54 CC(C)OCOCCCCCCCBr 34a_100000760002_100000709892 [0,2,0,0,0,0|1,0,1]=4 13796 B13R0.54 CC(C)OCOCCCCCCCN 34a_100011996573_100000709892 [0,2,0,0,0,0|1,0,1]=4 13797 B13R0.54 CC(C)OCSCCCCCCCO 62a_100000709892_100000760002 [0,2,0,0,0,0|1,0,1]=4 13798 B13R0.54 CC(C)OCSCCCCCCCO 62a_100000760002_100000709892 [0,2,0,0,0,0|1,0,1]=4 13799 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,2,0,0,0,0|1,0,1]=4 13800 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|0,0,2]=4 13801 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|0,0,2]=4 13802 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 13803 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 13804 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 13805 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,0,0,0,0|1,0,1]=4 13806 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,0,0,0,0|1,0,1]=4 13807 B13R0.54 CC/C=C/CCCOCCNC(=O)C 7a_100016287902_100000189650 [0,2,0,0,0,0|1,0,1]=4 13808 B13R0.54 CC/C=C/CCCOCCOC(=O)C 34a_100016287902_100009814007 [0,2,0,0,0,0|0,0,1]=3 13809 B13R0.54 CC/C=C/CCCOCCOC(=O)C 7a_100016287902_100009814007 [0,2,0,0,0,0|0,0,1]=3 13810 B13R0.54 CC/C=C/CCCOCCOC(=O)N 34a_100016287902_200011214921 [0,2,0,0,0,0|1,0,1]=4 13811 B13R0.54 CC/C=C/CCCOCCOC(=O)N 7a_100016287902_200011214921 [0,2,0,0,0,0|1,0,1]=4 13812 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,2,0,0,0,0|1,0,1]=4 13813 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,2,0,0,0,0|1,0,1]=4 13814 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,2,0,0,0,0|1,0,1]=4 13815 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,0,0,0,0|0,0,2]=4 13816 B13R0.54 CC/C=C\CCCCOCOC(=O)C 34a_100016287862_100009813279 [0,2,0,0,0,0|0,0,1]=3 13817 B13R0.54 CC/C=C\CCNCCCNC(=O)C 34a_100000736810_100015370543 [0,2,0,0,0,0|1,0,1]=4 13818 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,0,0,0,0|1,0,1]=4 13819 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,0,0,0,0|1,0,1]=4 13820 B13R0.54 CC/C=C\CCOCCCNC(=O)C 34a_100000752032_100015370543 [0,2,0,0,0,0|1,0,1]=4 13821 B13R0.54 CC/C=C\CCOCCCOC(=O)C 34a_100016288707_100000042594 [0,2,0,0,0,0|0,0,1]=3 13822 B13R0.54 CC/C=C\CCOCCCOC(=O)C 7a_100016288707_100000042594 [0,2,0,0,0,0|0,0,1]=3 13823 B13R0.54 CC/C=C\CCOCCCOC(=S)C 34a_100016288707_200135323944 [0,2,0,0,0,0|0,1,1]=4 13824 B13R0.54 CC/C=C\CCOCCCOC(=S)C 7a_100016288707_200135323944 [0,2,0,0,0,0|0,1,1]=4 13825 B13R0.54 CC/C=C\CCOCCCSC(=O)C 34a_100016288707_100000038929 [0,2,0,0,0,0|0,1,1]=4 13826 B13R0.54 CC/C=C\CCOCCCSC(=O)C 7a_100016288707_100000038929 [0,2,0,0,0,0|0,1,1]=4 13827 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,0,0,0,0|1,0,1]=4 13828 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,0,0,0,0|1,0,1]=4 13829 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100000042594_100015370543 [0,2,0,0,0,0|0,0,1]=3 13830 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100015370543_100000042594 [0,2,0,0,0,0|0,0,1]=3 13831 B13R0.54 CC/C=C\CCSCCCOC(=S)C 62a_100015370543_200135323944 [0,2,0,0,0,0|0,1,1]=4 13832 B13R0.54 CC/C=C\CCSCCCOC(=S)C 62a_200135323944_100015370543 [0,2,0,0,0,0|0,1,1]=4 13833 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100000038929_100015370543 [0,2,0,0,0,0|0,1,1]=4 13834 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100015370543_100000038929 [0,2,0,0,0,0|0,1,1]=4 13835 B13R0.54 CC/C=C\CNCCCCNC(=O)C 2230a_200011368371_100103147603 [0,2,0,0,0,0|1,0,1]=4 13836 B13R0.54 CC/C=C\CNCCCCNC(=O)C 34a_200011368371_100103147603 [0,2,0,0,0,0|1,0,1]=4 13837 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100000073216_100103147603 [0,2,0,0,0,0|0,0,1]=3 13838 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100016268518_100000033659 [0,2,0,0,0,0|0,0,1]=3 13839 B13R0.54 CC/C=C\COCCCCOC(=O)C 7a_100000073216_100103147603 [0,2,0,0,0,0|0,0,1]=3 13840 B13R0.54 CC/C=C\COCCCCSC(=O)C 34a_100016268518_200010402107 [0,2,0,0,0,0|0,1,1]=4 13841 B13R0.54 CC/C=C\COCOCCOC(=O)C 34a_100016268518_100000076355 [0,2,0,0,0,0|0,0,2]=4 13842 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100000033659_100103147603 [0,2,0,0,0,0|0,0,1]=3 13843 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100103147603_100000033659 [0,2,0,0,0,0|0,0,1]=3 13844 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_100103147603_200010402107 [0,2,0,0,0,0|0,1,1]=4 13845 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_200010402107_100103147603 [0,2,0,0,0,0|0,1,1]=4 13846 B13R0.54 CC/C=C\CSCOCCOC(=O)C 62a_100000076355_100103147603 [0,2,0,0,0,0|0,0,2]=4 13847 B13R0.54 CC/C=C\CSCOCCOC(=O)C 62a_100103147603_100000076355 [0,2,0,0,0,0|0,0,2]=4 13848 B13R0.54 CC=C=CCCOCCCOC(=O)C 34a_100011020354_100000042594 [0,2,0,0,0,0|0,0,2]=4 13849 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,2,0,0,0,0|1,0,1]=4 13850 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,2,0,0,0,0|0,0,1]=3 13851 B13R0.54 CC=CCCCOCCCOC(=S)C 34a_100020645299_200135323944 [0,2,0,0,0,0|0,1,1]=4 13852 B13R0.54 CC=CCCCOCCCSC(=O)C 34a_100020645299_100000038929 [0,2,0,0,0,0|0,1,1]=4 13853 B13R0.54 CC=CCNCCCCCNC(=O)C 2230a_200012022750_100000070051 [0,2,0,0,0,0|1,0,1]=4 13854 B13R0.54 CC=CCNCCCCCNC(=O)C 34a_200012022750_100000070051 [0,2,0,0,0,0|1,0,1]=4 13855 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,2,0,0,0,0|0,0,1]=3 13856 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,2,0,0,0,0|0,0,1]=3 13857 B13R0.54 CC=CCSCCOCCOC(=O)C 62a_100000070051_200000083610 [0,2,0,0,0,0|0,0,2]=4 13858 B13R0.54 CC=CCSCCOCCOC(=O)C 62a_200000083610_100000070051 [0,2,0,0,0,0|0,0,2]=4 13859 B13R0.54 CCC#CCCCCCCOC(C)C 34a_100000212225_200000036426 [0,2,0,0,0,0|1,0,1]=4 13860 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,2,0,0,0,0|1,0,1]=4 13861 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,2,0,0,0,0|1,0,1]=4 13862 B13R0.54 CCC#CCCOCCCOC(=O)C 34a_100000036655_100000042594 [0,2,0,0,0,0|0,0,1]=3 13863 B13R0.54 CCC#CCCOCCCOC(=O)C 7a_100000036655_100000042594 [0,2,0,0,0,0|0,0,1]=3 13864 B13R0.54 CCC#CCCOCCCOC(=S)C 34a_100000036655_200135323944 [0,2,0,0,0,0|0,1,1]=4 13865 B13R0.54 CCC#CCCOCCCOC(=S)C 7a_100000036655_200135323944 [0,2,0,0,0,0|0,1,1]=4 13866 B13R0.54 CCC#CCCOCCCSC(=O)C 34a_100000036655_100000038929 [0,2,0,0,0,0|0,1,1]=4 13867 B13R0.54 CCC#CCCOCCCSC(=O)C 7a_100000036655_100000038929 [0,2,0,0,0,0|0,1,1]=4 13868 B13R0.54 CCC#CCNCCCCNC(=O)C 2230a_200011368371_100009813939 [0,2,0,0,0,0|1,0,1]=4 13869 B13R0.54 CCC#CCNCCCCNC(=O)C 34a_200011368371_100009813939 [0,2,0,0,0,0|1,0,1]=4 13870 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000032950_100000033659 [0,2,0,0,0,0|0,0,1]=3 13871 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000073216_100009813939 [0,2,0,0,0,0|0,0,1]=3 13872 B13R0.54 CCC#CCOCCCCOC(=O)C 7a_100000073216_100009813939 [0,2,0,0,0,0|0,0,1]=3 13873 B13R0.54 CCC#CCOCCCCSC(=O)C 34a_100000032950_200010402107 [0,2,0,0,0,0|0,1,1]=4 13874 B13R0.54 CCC#CCOCOCCOC(=O)C 34a_100000032950_100000076355 [0,2,0,0,0,0|0,0,2]=4 13875 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100000033659_100009813939 [0,2,0,0,0,0|0,0,1]=3 13876 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100009813939_100000033659 [0,2,0,0,0,0|0,0,1]=3 13877 B13R0.54 CCC#CCSCCCCSC(=O)C 62a_100009813939_200010402107 [0,2,0,0,0,0|0,1,1]=4 13878 B13R0.54 CCC#CCSCCCCSC(=O)C 62a_200010402107_100009813939 [0,2,0,0,0,0|0,1,1]=4 13879 B13R0.54 CCC#CCSCOCCOC(=O)C 62a_100000076355_100009813939 [0,2,0,0,0,0|0,0,2]=4 13880 B13R0.54 CCC#CCSCOCCOC(=O)C 62a_100009813939_100000076355 [0,2,0,0,0,0|0,0,2]=4 13881 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,2,0,0,0,0|1,0,1]=4 13882 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,2,0,0,0,0|1,0,1]=4 13883 B13R0.54 CCC/C=C/COCCCOC(=O)C 34a_100016278788_100000042594 [0,2,0,0,0,0|0,0,1]=3 13884 B13R0.54 CCC/C=C/COCCCOC(=O)C 7a_100016278788_100000042594 [0,2,0,0,0,0|0,0,1]=3 13885 B13R0.54 CCC/C=C/COCCCOC(=S)C 34a_100016278788_200135323944 [0,2,0,0,0,0|0,1,1]=4 13886 B13R0.54 CCC/C=C/COCCCOC(=S)C 7a_100016278788_200135323944 [0,2,0,0,0,0|0,1,1]=4 13887 B13R0.54 CCC/C=C/COCCCSC(=O)C 34a_100016278788_100000038929 [0,2,0,0,0,0|0,1,1]=4 13888 B13R0.54 CCC/C=C/COCCCSC(=O)C 7a_100016278788_100000038929 [0,2,0,0,0,0|0,1,1]=4 13889 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,2,0,0,0,0|1,0,1]=4 13890 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,2,0,0,0,0|1,0,1]=4 13891 B13R0.54 CCCC#CCCOCCNC(=O)C 7a_100000042726_100000189650 [0,2,0,0,0,0|1,0,1]=4 13892 B13R0.54 CCCC#CCCOCCOC(=O)C 34a_100000042726_100009814007 [0,2,0,0,0,0|0,0,1]=3 13893 B13R0.54 CCCC#CCCOCCOC(=O)C 7a_100000042726_100009814007 [0,2,0,0,0,0|0,0,1]=3 13894 B13R0.54 CCCC#CCCOCCOC(=O)N 34a_100000042726_200011214921 [0,2,0,0,0,0|1,0,1]=4 13895 B13R0.54 CCCC#CCCOCCOC(=O)N 7a_100000042726_200011214921 [0,2,0,0,0,0|1,0,1]=4 13896 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,2,0,0,0,0|1,0,1]=4 13897 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,2,0,0,0,0|1,0,1]=4 13898 B13R0.54 CCCC#CCOCCCOC(=O)C 34a_100000034806_100000042594 [0,2,0,0,0,0|0,0,1]=3 13899 B13R0.54 CCCC#CCOCCCOC(=O)C 7a_100000034806_100000042594 [0,2,0,0,0,0|0,0,1]=3 13900 B13R0.54 CCCC#CCOCCCOC(=S)C 34a_100000034806_200135323944 [0,2,0,0,0,0|0,1,1]=4 13901 B13R0.54 CCCC#CCOCCCOC(=S)C 7a_100000034806_200135323944 [0,2,0,0,0,0|0,1,1]=4 13902 B13R0.54 CCCC#CCOCCCSC(=O)C 34a_100000034806_100000038929 [0,2,0,0,0,0|0,1,1]=4 13903 B13R0.54 CCCC#CCOCCCSC(=O)C 7a_100000034806_100000038929 [0,2,0,0,0,0|0,1,1]=4 13904 B13R0.54 CCCC/C=C/CCCCOC(C)C 34a_200020645093_100000210206 [0,2,0,0,0,0|1,0,1]=4 13905 B13R0.54 CCCC/C=C/CCCCOC(C)C 7a_200020645093_100000210206 [0,2,0,0,0,0|1,0,1]=4 13906 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,2,0,0,0,0|1,0,1]=4 13907 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,2,0,0,0,0|1,0,1]=4 13908 B13R0.54 CCCC/C=C/COCCNC(=O)C 7a_200016272032_100000189650 [0,2,0,0,0,0|1,0,1]=4 13909 B13R0.54 CCCC/C=C/COCCOC(=O)C 34a_200016272032_100009814007 [0,2,0,0,0,0|0,0,1]=3 13910 B13R0.54 CCCC/C=C/COCCOC(=O)C 7a_200016272032_100009814007 [0,2,0,0,0,0|0,0,1]=3 13911 B13R0.54 CCCC/C=C/COCCOC(=O)N 34a_200016272032_200011214921 [0,2,0,0,0,0|1,0,1]=4 13912 B13R0.54 CCCC/C=C/COCCOC(=O)N 7a_200016272032_200011214921 [0,2,0,0,0,0|1,0,1]=4 13913 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,2,0,0,0,0|0,0,2]=4 13914 B13R0.54 CCCC/C=C\CCOCOC(=O)C 34a_200016286491_100009813279 [0,2,0,0,0,0|0,0,1]=3 13915 B13R0.54 CCCCC#CCCCCOC(C)C 34a_200000066234_100000210206 [0,2,0,0,0,0|1,0,1]=4 13916 B13R0.54 CCCCC#CCCCCOC(C)C 7a_200000066234_100000210206 [0,2,0,0,0,0|1,0,1]=4 13917 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,2,0,0,0,0|0,0,1]=3 13918 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,2,0,0,0,0|0,0,2]=4 13919 B13R0.54 CCCCC#CCCOCOC(=O)C 34a_100000037610_100009813279 [0,2,0,0,0,0|0,0,1]=3 13920 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,2,0,0,0,0|1,0,1]=4 13921 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,2,0,0,0,0|1,0,1]=4 13922 B13R0.54 CCCCC#CCOCCNC(=O)C 7a_200000034558_100000189650 [0,2,0,0,0,0|1,0,1]=4 13923 B13R0.54 CCCCC#CCOCCOC(=O)C 34a_200000034558_100009814007 [0,2,0,0,0,0|0,0,1]=3 13924 B13R0.54 CCCCC#CCOCCOC(=O)C 7a_200000034558_100009814007 [0,2,0,0,0,0|0,0,1]=3 13925 B13R0.54 CCCCC#CCOCCOC(=O)N 34a_200000034558_200011214921 [0,2,0,0,0,0|1,0,1]=4 13926 B13R0.54 CCCCC#CCOCCOC(=O)N 7a_200000034558_200011214921 [0,2,0,0,0,0|1,0,1]=4 13927 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,2,0,0,0,0|0,0,2]=4 13928 B13R0.54 CCCCC/C=C/COCOC(=O)C 34a_100016258190_100009813279 [0,2,0,0,0,0|0,0,1]=3 13929 B13R0.54 CCCCC/C=C\CCCOC(C)C 34a_100020655193_100000210206 [0,2,0,0,0,0|1,0,1]=4 13930 B13R0.54 CCCCC/C=C\CCCOC(C)C 7a_100020655193_100000210206 [0,2,0,0,0,0|1,0,1]=4 13931 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,2,0,0,0,0|1,0,1]=4 13932 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,2,0,0,0,0|1,0,1]=4 13933 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,2,0,0,0,0|1,0,1]=4 13934 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,2,0,0,0,0|1,0,1]=4 13935 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,2,0,0,0,0|1,0,1]=4 13936 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,2,0,0,0,0|1,0,1]=4 13937 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,2,0,0,0,0|0,0,2]=4 13938 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,2,0,0,0,0|0,0,2]=4 13939 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,2,0,0,0,0|0,0,2]=4 13940 B13R0.54 CCCCCC#CCOCOC(=O)C 34a_200000033628_100009813279 [0,2,0,0,0,0|0,0,1]=3 13941 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,2,0,0,0,0|1,0,1]=4 13942 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,2,0,0,0,0|1,0,1]=4 13943 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100000076356_100009816472 [0,2,0,0,0,0|0,0,1]=3 13944 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100009816472_100000076356 [0,2,0,0,0,0|0,0,1]=3 13945 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,2,0,0,0,0|1,0,1]=4 13946 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,2,0,0,0,0|1,0,1]=4 13947 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,2,0,0,0,0|1,0,1]=4 13948 B13R0.54 CCCCCCC#CCCOC(C)C 34a_200000033163_100000210206 [0,2,0,0,0,0|1,0,1]=4 13949 B13R0.54 CCCCCCC#CCCOC(C)C 7a_200000033163_100000210206 [0,2,0,0,0,0|1,0,1]=4 13950 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,2,0,0,0,0|1,0,1]=4 13951 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,2,0,0,0,0|1,0,1]=4 13952 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,2,0,0,0,0|1,0,1]=4 13953 B13R0.54 CCCCCCCC#CCOC(C)C 34a_200000061759_100000210206 [0,2,0,0,0,0|1,0,1]=4 13954 B13R0.54 CCCCCCCC#CCOC(C)C 7a_200000061759_100000210206 [0,2,0,0,0,0|1,0,1]=4 13955 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,2,0,0,0,0|1,0,0]=3 13956 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|1,0,0]=3 13957 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|1,0,0]=3 13958 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|1,0,0]=3 13959 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|1,0,0]=3 13960 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|1,0,0]=3 13961 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|1,0,0]=3 13962 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|1,0,0]=3 13963 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|1,0,0]=3 13964 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|1,0,0]=3 13965 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,2,0,0,0,0|1,0,1]=4 13966 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,2,0,0,0,0|1,0,1]=4 13967 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,2,0,0,0,0|1,0,1]=4 13968 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|2,0,0]=4 13969 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|2,0,0]=4 13970 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|2,0,0]=4 13971 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|2,0,0]=4 13972 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|2,0,0]=4 13973 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|0,0,0]=2 13974 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|1,0,0]=3 13975 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|1,0,0]=3 13976 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|1,0,0]=3 13977 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,2,0,0,0,0|1,0,1]=4 13978 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,2,0,0,0,0|1,0,1]=4 13979 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,2,0,0,0,0|1,0,1]=4 13980 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,2,0,0,0,0|1,0,1]=4 13981 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,2,0,0,0,0|1,0,1]=4 13982 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 13983 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 13984 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,2,0,0,0,0|1,0,1]=4 13985 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,2,0,0,0,0|1,0,1]=4 13986 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 13987 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 13988 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,2,0,0,0,0|2,0,0]=4 13989 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|1,1,0]=4 13990 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|1,1,0]=4 13991 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,2,0,0,0,0|2,0,0]=4 13992 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,2,0,0,0,0|2,0,0]=4 13993 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,2,0,0,0,0|2,0,0]=4 13994 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|2,0,0]=4 13995 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|2,0,0]=4 13996 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,2,0,0,0,0|0,0,0]=2 13997 B13R0.54 CCCCCCCCNCOC(C)C 2230a_100000229939_100000709892 [0,2,0,0,0,0|1,0,1]=4 13998 B13R0.54 CCCCCCCCNCOC(C)C 34a_100000229939_100000709892 [0,2,0,0,0,0|1,0,1]=4 13999 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|1,0,0]=3 14000 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,2,0,0,0,0|1,0,0]=3 14001 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,2,0,0,0,0|1,0,0]=3 14002 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,2,0,0,0,0|1,0,0]=3 14003 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|0,0,0]=2 14004 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|0,0,0]=2 14005 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|0,0,0]=2 14006 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|1,0,0]=3 14007 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|1,0,0]=3 14008 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|1,0,0]=3 14009 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|1,0,0]=3 14010 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,2,0,0,0,0|1,0,1]=4 14011 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,2,0,0,0,0|1,0,1]=4 14012 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,2,0,0,0,0|1,0,1]=4 14013 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,2,0,0,0,0|1,0,1]=4 14014 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,2,0,0,0,0|1,0,1]=4 14015 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 14016 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 14017 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,2,0,0,0,0|2,0,0]=4 14018 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,2,0,0,0,0|1,0,1]=4 14019 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,2,0,0,0,0|0,0,0]=2 14020 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [0,2,0,0,0,0|1,0,1]=4 14021 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,2,0,0,0,0|1,1,0]=4 14022 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,2,0,0,0,0|1,1,0]=4 14023 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|0,1,0]=3 14024 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|0,1,0]=3 14025 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|1,1,0]=4 14026 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|1,1,0]=4 14027 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,2,0,0,0,0|0,0,0]=2 14028 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,2,0,0,0,0|0,0,0]=2 14029 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000210759_100000709892 [0,2,0,0,0,0|1,0,1]=4 14030 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000709892_100000210317 [0,2,0,0,0,0|1,0,1]=4 14031 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,2,0,0,0,0|2,0,0]=4 14032 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|2,0,0]=4 14033 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,2,0,0,0,0|2,0,0]=4 14034 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,2,0,0,0,0|1,0,0]=3 14035 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,2,0,0,0,0|1,0,0]=3 14036 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,2,0,0,0,0|2,0,0]=4 14037 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,2,0,0,0,0|2,0,0]=4 14038 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000229938_100000211751 [0,2,0,0,0,0|1,0,1]=4 14039 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000701111_100000210681 [0,2,0,0,0,0|1,0,1]=4 14040 B13R0.54 CCCCCCCNCCOC(C)C 34a_100000701111_100000210614 [0,2,0,0,0,0|1,0,1]=4 14041 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,2,0,0,0,0|2,0,0]=4 14042 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,2,0,0,0,0|2,0,0]=4 14043 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|1,0,0]=3 14044 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|1,0,0]=3 14045 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|1,0,0]=3 14046 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|1,0,0]=3 14047 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|2,0,0]=4 14048 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|2,0,0]=4 14049 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,2,0,0,0,0|1,0,0]=3 14050 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,2,0,0,0,0|1,0,0]=3 14051 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,2,0,0,0,0|2,0,0]=4 14052 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,2,0,0,0,0|2,0,0]=4 14053 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,2,0,0,0,0|0,0,0]=2 14054 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,2,0,0,0,0|0,0,0]=2 14055 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 14056 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 14057 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,2,0,0,0,0|1,0,0]=3 14058 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [0,2,0,0,0,0|1,0,1]=4 14059 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [0,2,0,0,0,0|1,0,1]=4 14060 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [0,2,0,0,0,0|1,0,1]=4 14061 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [0,2,0,0,0,0|1,0,1]=4 14062 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,2,0,0,0,0|2,0,0]=4 14063 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,2,0,0,0,0|2,0,0]=4 14064 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|1,0,0]=3 14065 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|1,0,0]=3 14066 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|2,0,0]=4 14067 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|2,0,0]=4 14068 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,2,0,0,0,0|1,0,0]=3 14069 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,2,0,0,0,0|1,0,0]=3 14070 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,2,0,0,0,0|2,0,0]=4 14071 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,2,0,0,0,0|2,0,0]=4 14072 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,2,0,0,0,0|0,0,0]=2 14073 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,2,0,0,0,0|0,0,0]=2 14074 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,2,0,0,0,0|1,0,0]=3 14075 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,2,0,0,0,0|1,0,0]=3 14076 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000210614_100000211751 [0,2,0,0,0,0|1,0,1]=4 14077 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000211751_100000210316 [0,2,0,0,0,0|1,0,1]=4 14078 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|2,0,0]=4 14079 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,2,0,0,0,0|1,0,0]=3 14080 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,2,0,0,0,0|0,1,0]=3 14081 B13R0.54 CCCCCCNCCCOC(C)C 2230a_100000737246_100000210314 [0,2,0,0,0,0|1,0,1]=4 14082 B13R0.54 CCCCCCNCCCOC(C)C 34a_100000737246_100000210314 [0,2,0,0,0,0|1,0,1]=4 14083 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,2,0,0,0,0|0,1,0]=3 14084 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,2,0,0,0,0|1,0,0]=3 14085 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|1,0,0]=3 14086 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|1,0,0]=3 14087 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|1,0,0]=3 14088 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|2,0,0]=4 14089 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|2,0,0]=4 14090 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,2,0,0,0,0|1,0,0]=3 14091 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,2,0,0,0,0|0,0,0]=2 14092 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,2,0,0,0,0|0,0,0]=2 14093 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,2,0,0,0,0|0,1,0]=3 14094 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,2,0,0,0,0|0,1,0]=3 14095 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,2,0,0,0,0|0,1,0]=3 14096 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,2,0,0,0,0|0,1,0]=3 14097 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 14098 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 14099 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 14100 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 14101 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,2,0,0,0,0|1,0,0]=3 14102 B13R0.54 CCCCCCOCCOCC(C)C 34a_100000691444_100000210624 [0,2,0,0,0,0|1,0,1]=4 14103 B13R0.54 CCCCCCOCCOCC(C)C 34a_100000703358_100000210314 [0,2,0,0,0,0|1,0,1]=4 14104 B13R0.54 CCCCCCOCCOCC(C)C 7a_100000691444_100000210760 [0,2,0,0,0,0|1,0,1]=4 14105 B13R0.54 CCCCCCOCCOCC(C)C 7a_100000703358_100000210314 [0,2,0,0,0,0|1,0,1]=4 14106 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,2,0,0,0,0|0,0,2]=4 14107 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,2,0,0,0,0|0,0,2]=4 14108 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,2,0,0,0,0|0,0,2]=4 14109 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,2,0,0,0,0|0,0,2]=4 14110 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,2,0,0,0,0|2,0,0]=4 14111 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|1,0,0]=3 14112 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|1,0,0]=3 14113 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,2,0,0,0,0|0,0,0]=2 14114 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,2,0,0,0,0|0,0,0]=2 14115 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,2,0,0,0,0|0,1,0]=3 14116 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,2,0,0,0,0|0,1,0]=3 14117 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,2,0,0,0,0|0,1,0]=3 14118 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,2,0,0,0,0|0,1,0]=3 14119 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,2,0,0,0,0|1,0,0]=3 14120 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,2,0,0,0,0|1,0,0]=3 14121 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|2,0,0]=4 14122 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,2,0,0,0,0|1,0,0]=3 14123 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,2,0,0,0,0|1,0,0]=3 14124 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,2,0,0,0,0|0,1,0]=3 14125 B13R0.54 CCCCCNCCCOCC(C)C 2230a_100000205972_100000210326 [0,2,0,0,0,0|1,0,1]=4 14126 B13R0.54 CCCCCNCCCOCC(C)C 34a_100000205972_100000718602 [0,2,0,0,0,0|1,0,1]=4 14127 B13R0.54 CCCCCNCCOCC=C(C)C 34a_100000224656_100000761012 [0,2,0,0,0,0|2,0,0]=4 14128 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,2,0,0,0,0|2,0,0]=4 14129 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,2,0,0,0,0|0,0,0]=2 14130 B13R0.54 CCCCCNCCOCOC(C)C 34a_100000224656_100000709892 [0,2,0,0,0,0|1,0,1]=4 14131 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|2,0,0]=4 14132 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|2,0,0]=4 14133 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|2,0,0]=4 14134 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|2,0,0]=4 14135 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|2,0,0]=4 14136 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,2,0,0,0,0|0,0,0]=2 14137 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,2,0,0,0,0|0,0,0]=2 14138 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,2,0,0,0,0|0,0,0]=2 14139 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,2,0,0,0,0|0,0,0]=2 14140 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,2,0,0,0,0|2,0,0]=4 14141 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,2,0,0,0,0|2,0,0]=4 14142 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,2,0,0,0,0|0,1,0]=3 14143 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,2,0,0,0,0|0,1,0]=3 14144 B13R0.54 CCCCCOCCOCC=C(C)C 34a_100011215259_100000761012 [0,2,0,0,0,0|2,0,0]=4 14145 B13R0.54 CCCCCOCCOCC=C(C)C 7a_100011215259_100000761012 [0,2,0,0,0,0|2,0,0]=4 14146 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,2,0,0,0,0|1,0,0]=3 14147 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,2,0,0,0,0|2,0,0]=4 14148 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,2,0,0,0,0|2,0,0]=4 14149 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,2,0,0,0,0|0,0,0]=2 14150 B13R0.54 CCCCCOCCOCOC(C)C 34a_100011215259_100000709892 [0,2,0,0,0,0|1,0,1]=4 14151 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,2,0,0,0,0|0,0,0]=2 14152 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|2,0,0]=4 14153 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|2,0,0]=4 14154 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,2,0,0,0,0|0,0,0]=2 14155 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,2,0,0,0,0|0,0,0]=2 14156 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,2,0,0,0,0|2,0,0]=4 14157 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,2,0,0,0,0|0,1,0]=3 14158 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,2,0,0,0,0|0,1,0]=3 14159 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,2,0,0,0,0|0,0,0]=2 14160 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,2,0,0,0,0|0,0,0]=2 14161 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,2,0,0,0,0|1,0,0]=3 14162 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,2,0,0,0,0|1,0,0]=3 14163 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,2,0,0,0,0|0,0,0]=2 14164 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,2,0,0,0,0|0,0,0]=2 14165 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,2,0,0,0,0|1,0,0]=3 14166 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,2,0,0,0,0|1,0,0]=3 14167 B13R0.54 CCCCNCCCCOCC(C)C 34a_200011216965_100000210624 [0,2,0,0,0,0|1,0,1]=4 14168 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,2,0,0,0,0|0,0,2]=4 14169 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,2,0,0,0,0|0,0,2]=4 14170 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,2,0,0,0,0|0,0,0]=2 14172 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,2,0,0,0,0|0,0,0]=2 14173 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,2,0,0,0,0|0,0,0]=2 14174 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,2,0,0,0,0|0,0,0]=2 14175 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 14176 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 14177 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,2,0,0,0,0|1,0,0]=3 14178 B13R0.54 CCCCOCCCCOCC(C)C 34a_200000760531_100000210624 [0,2,0,0,0,0|1,0,1]=4 14179 B13R0.54 CCCCOCCCCOCC(C)C 7a_200000760531_100000210760 [0,2,0,0,0,0|1,0,1]=4 14180 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,2,0,0,0,0|0,0,2]=4 14181 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,2,0,0,0,0|0,0,2]=4 14182 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,2,0,0,0,0|0,0,2]=4 14183 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,2,0,0,0,0|0,0,2]=4 14184 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,2,0,0,0,0|2,0,0]=4 14185 B13R0.54 CCCCOCCCNCC=C(C)C 2230a_200000211371_100000761012 [0,2,0,0,0,0|2,0,0]=4 14186 B13R0.54 CCCCOCCCNCC=C(C)C 34a_200000211371_100000761012 [0,2,0,0,0,0|2,0,0]=4 14187 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,2,0,0,0,0|2,0,0]=4 14188 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,2,0,0,0,0|2,0,0]=4 14189 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,2,0,0,0,0|0,0,0]=2 14190 B13R0.54 CCCCOCCCNCOC(C)C 2230a_200000211371_100000709892 [0,2,0,0,0,0|1,0,1]=4 14191 B13R0.54 CCCCOCCCNCOC(C)C 34a_200000211371_100000709892 [0,2,0,0,0,0|1,0,1]=4 14192 B13R0.54 CCCCOCCCOCC=C(C)C 34a_200011215613_100000761012 [0,2,0,0,0,0|2,0,0]=4 14193 B13R0.54 CCCCOCCCOCC=C(C)C 7a_200011215613_100000761012 [0,2,0,0,0,0|2,0,0]=4 14194 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,2,0,0,0,0|1,0,0]=3 14195 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,2,0,0,0,0|2,0,0]=4 14196 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,2,0,0,0,0|2,0,0]=4 14197 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,2,0,0,0,0|0,0,0]=2 14198 B13R0.54 CCCCOCCCOCOC(C)C 34a_200011215613_100000709892 [0,2,0,0,0,0|1,0,1]=4 14199 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,2,0,0,0,0|2,0,0]=4 14200 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,2,0,0,0,0|2,0,0]=4 14201 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,2,0,0,0,0|1,0,0]=3 14202 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,2,0,0,0,0|2,0,0]=4 14203 B13R0.54 CCCCOCCNCCOC(C)C 2230a_100000701111_100000743108 [0,2,0,0,0,0|1,0,1]=4 14204 B13R0.54 CCCCOCCNCCOC(C)C 34a_100000701111_100000743108 [0,2,0,0,0,0|1,0,1]=4 14205 B13R0.54 CCCCOCCOCCC=C(C)C 34a_100000210238_100011217483 [0,2,0,0,0,0|2,0,0]=4 14206 B13R0.54 CCCCOCCOCCC=C(C)C 7a_100000210238_100011217483 [0,2,0,0,0,0|2,0,0]=4 14207 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,2,0,0,0,0|1,0,0]=3 14208 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,2,0,0,0,0|1,0,0]=3 14209 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,2,0,0,0,0|1,0,0]=3 14210 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,2,0,0,0,0|1,0,0]=3 14211 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,2,0,0,0,0|2,0,0]=4 14212 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,2,0,0,0,0|2,0,0]=4 14213 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,2,0,0,0,0|1,0,0]=3 14214 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,2,0,0,0,0|1,0,0]=3 14215 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,2,0,0,0,0|2,0,0]=4 14216 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,2,0,0,0,0|2,0,0]=4 14217 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,2,0,0,0,0|0,0,0]=2 14218 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,2,0,0,0,0|0,0,0]=2 14219 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,2,0,0,0,0|0,0,0]=2 14220 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,2,0,0,0,0|0,0,0]=2 14221 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,2,0,0,0,0|1,0,0]=3 14222 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,2,0,0,0,0|1,0,0]=3 14223 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,2,0,0,0,0|1,0,0]=3 14224 B13R0.54 CCCCOCCOCCOC(C)C 34a_100000210238_100000211751 [0,2,0,0,0,0|1,0,1]=4 14225 B13R0.54 CCCCOCCOCCOC(C)C 34a_100000211219_100000743108 [0,2,0,0,0,0|1,0,1]=4 14226 B13R0.54 CCCCOCCOCCOC(C)C 34a_100011215186_100000210206 [0,2,0,0,0,0|1,0,1]=4 14227 B13R0.54 CCCCOCCOCCOC(C)C 7a_100000210238_100000211751 [0,2,0,0,0,0|1,0,1]=4 14228 B13R0.54 CCCCOCCOCCOC(C)C 7a_100000211219_100000743108 [0,2,0,0,0,0|1,0,1]=4 14229 B13R0.54 CCCCOCCOCCOC(C)C 7a_100011215186_100000210206 [0,2,0,0,0,0|1,0,1]=4 14230 B13R0.54 CCCCOCCSCCC=C(C)C 62a_100000743108_100011217483 [0,2,0,0,0,0|2,0,0]=4 14231 B13R0.54 CCCCOCCSCCC=C(C)C 62a_100011217483_100000743108 [0,2,0,0,0,0|2,0,0]=4 14232 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,2,0,0,0,0|1,0,0]=3 14233 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,2,0,0,0,0|1,0,0]=3 14234 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,2,0,0,0,0|2,0,0]=4 14235 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,2,0,0,0,0|2,0,0]=4 14236 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,2,0,0,0,0|1,0,0]=3 14237 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,2,0,0,0,0|1,0,0]=3 14238 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,2,0,0,0,0|2,0,0]=4 14239 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,2,0,0,0,0|2,0,0]=4 14240 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,2,0,0,0,0|0,0,0]=2 14241 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,2,0,0,0,0|0,0,0]=2 14242 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,2,0,0,0,0|1,0,0]=3 14243 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,2,0,0,0,0|1,0,0]=3 14244 B13R0.54 CCCCOCCSCCOC(C)C 62a_100000211751_100000743108 [0,2,0,0,0,0|1,0,1]=4 14245 B13R0.54 CCCCOCCSCCOC(C)C 62a_100000743108_100000211751 [0,2,0,0,0,0|1,0,1]=4 14246 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,2,0,0,0,0|1,0,0]=3 14248 B13R0.54 CCCCOCNCCCOC(C)C 2230a_100000737246_100011995733 [0,2,0,0,0,0|1,0,1]=4 14249 B13R0.54 CCCCOCNCCCOC(C)C 34a_100000737246_100011995733 [0,2,0,0,0,0|1,0,1]=4 14250 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,2,0,0,0,0|2,0,0]=4 14251 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,2,0,0,0,0|2,0,0]=4 14252 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,2,0,0,0,0|1,0,0]=3 14253 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,2,0,0,0,0|1,0,0]=3 14254 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,2,0,0,0,0|1,0,0]=3 14255 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,2,0,0,0,0|0,0,0]=2 14256 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,2,0,0,0,0|0,0,0]=2 14257 B13R0.54 CCCCOCSCCCOC(=S)C 62a_100011995733_200135323944 [0,2,0,0,0,0|0,1,0]=3 14258 B13R0.54 CCCCOCSCCCOC(=S)C 62a_200135323944_100011995733 [0,2,0,0,0,0|0,1,0]=3 14259 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,2,0,0,0,0|0,1,0]=3 14260 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,2,0,0,0,0|0,1,0]=3 14261 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,2,0,0,0,0|2,0,0]=4 14262 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,2,0,0,0,0|2,0,0]=4 14263 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,2,0,0,0,0|0,0,0]=2 14264 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,2,0,0,0,0|0,0,0]=2 14265 B13R0.54 CCCCSCCNCCC=C(C)C 2230a_100025743550_100011217483 [0,2,0,0,0,0|2,0,0]=4 14266 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,2,0,0,0,0|1,0,0]=3 14267 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,2,0,0,0,0|2,0,0]=4 14268 B13R0.54 CCCCSCCNCCOC(C)C 2230a_100025743550_100000211751 [0,2,0,0,0,0|1,0,1]=4 14269 B13R0.54 CCCCSCCOCCC=C(C)C 34a_200000230436_100011217483 [0,2,0,0,0,0|2,0,0]=4 14270 B13R0.54 CCCCSCCOCCC=C(C)C 7a_200000230436_100011217483 [0,2,0,0,0,0|2,0,0]=4 14271 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,2,0,0,0,0|1,0,0]=3 14272 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,2,0,0,0,0|1,0,0]=3 14273 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,2,0,0,0,0|2,0,0]=4 14274 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,2,0,0,0,0|2,0,0]=4 14275 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,2,0,0,0,0|1,0,0]=3 14276 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,2,0,0,0,0|2,0,0]=4 14277 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,2,0,0,0,0|0,0,0]=2 14278 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,2,0,0,0,0|0,0,0]=2 14279 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,2,0,0,0,0|0,0,0]=2 14280 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,2,0,0,0,0|0,0,0]=2 14281 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,2,0,0,0,0|1,0,0]=3 14282 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,2,0,0,0,0|1,0,0]=3 14283 B13R0.54 CCCCSCCOCCOC(C)C 34a_200000230436_100000211751 [0,2,0,0,0,0|1,0,1]=4 14284 B13R0.54 CCCCSCCOCCOC(C)C 7a_200000230436_100000211751 [0,2,0,0,0,0|1,0,1]=4 14285 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,2,0,0,0,0|1,0,0]=3 14286 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,2,0,0,0,0|1,0,0]=3 14287 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,2,0,0,0,0|2,0,0]=4 14288 B13R0.54 CCCOCCCNCCC=C(C)C 2230a_100011217757_100011217483 [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.54 CCCOCCCNCCC=C(C)C 34a_100011217757_100011217483 [0,2,0,0,0,0|2,0,0]=4 14290 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,2,0,0,0,0|1,0,0]=3 14291 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,2,0,0,0,0|2,0,0]=4 14292 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,2,0,0,0,0|1,0,0]=3 14293 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,2,0,0,0,0|2,0,0]=4 14294 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,2,0,0,0,0|0,0,0]=2 14295 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,2,0,0,0,0|1,0,0]=3 14296 B13R0.54 CCCOCCCNCCOC(C)C 2230a_100011217757_100000211751 [0,2,0,0,0,0|1,0,1]=4 14297 B13R0.54 CCCOCCCNCCOC(C)C 34a_100011217757_100000211751 [0,2,0,0,0,0|1,0,1]=4 14298 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,2,0,0,0,0|1,0,0]=3 14299 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,2,0,0,0,0|2,0,0]=4 14300 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,2,0,0,0,0|1,0,0]=3 14301 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,2,0,0,0,0|0,0,0]=2 14302 B13R0.54 CCCOCCNCCCOC(=S)C 2230a_100161115042_200135323944 [0,2,0,0,0,0|0,1,0]=3 14303 B13R0.54 CCCOCCNCCCOC(=S)C 34a_100161115042_200135323944 [0,2,0,0,0,0|0,1,0]=3 14304 B13R0.54 CCCOCCNCCCOC(C)C 2230a_100000737246_100011215938 [0,2,0,0,0,0|1,0,1]=4 14305 B13R0.54 CCCOCCNCCCOC(C)C 34a_100000737246_100011215938 [0,2,0,0,0,0|1,0,1]=4 14306 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,2,0,0,0,0|0,1,0]=3 14307 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,2,0,0,0,0|0,1,0]=3 14308 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 14309 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 14310 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,2,0,0,0,0|2,0,0]=4 14311 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,2,0,0,0,0|1,0,0]=3 14312 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,2,0,0,0,0|1,0,0]=3 14313 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,2,0,0,0,0|2,0,0]=4 14314 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,2,0,0,0,0|1,0,0]=3 14316 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,2,0,0,0,0|0,0,0]=2 14317 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,2,0,0,0,0|0,0,0]=2 14318 B13R0.54 CCCOCCOCCCOC(=S)C 34a_100000752267_200135323944 [0,2,0,0,0,0|0,1,0]=3 14319 B13R0.54 CCCOCCOCCCOC(=S)C 7a_100000752267_200135323944 [0,2,0,0,0,0|0,1,0]=3 14320 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,2,0,0,0,0|0,1,0]=3 14321 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,2,0,0,0,0|0,1,0]=3 14322 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 14323 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 14324 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,2,0,0,0,0|1,0,0]=3 14325 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,2,0,0,0,0|1,0,0]=3 14326 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,2,0,0,0,0|0,0,0]=2 14327 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,2,0,0,0,0|0,0,0]=2 14328 B13R0.54 CCCOCCSCCCOC(=S)C 62a_100011215938_200135323944 [0,2,0,0,0,0|0,1,0]=3 14329 B13R0.54 CCCOCCSCCCOC(=S)C 62a_200135323944_100011215938 [0,2,0,0,0,0|0,1,0]=3 14330 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,2,0,0,0,0|0,1,0]=3 14331 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,2,0,0,0,0|0,1,0]=3 14332 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,2,0,0,0,0|2,0,0]=4 14333 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,2,0,0,0,0|2,0,0]=4 14334 B13R0.54 CCCSCCNCCCOC(=S)C 2230a_100020603323_200135323944 [0,2,0,0,0,0|0,1,0]=3 14335 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,2,0,0,0,0|0,1,0]=3 14336 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,2,0,0,0,0|2,0,0]=4 14337 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,2,0,0,0,0|1,0,0]=3 14338 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,2,0,0,0,0|1,0,0]=3 14339 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,2,0,0,0,0|0,0,0]=2 14340 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,2,0,0,0,0|0,0,0]=2 14341 B13R0.54 CCCSCCOCCCOC(=S)C 34a_200000230433_200135323944 [0,2,0,0,0,0|0,1,0]=3 14342 B13R0.54 CCCSCCOCCCOC(=S)C 7a_200000230433_200135323944 [0,2,0,0,0,0|0,1,0]=3 14343 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,2,0,0,0,0|0,1,0]=3 14344 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,2,0,0,0,0|0,1,0]=3 14345 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 14346 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 14347 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,2,0,0,0,0|1,0,0]=3 14348 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,2,0,0,0,0|2,0,0]=4 14349 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,2,0,0,0,0|1,0,0]=3 14350 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,2,0,0,0,0|0,0,0]=2 14351 B13R0.54 CCOCCCNCCCOC(=S)C 2230a_100000210961_200135323944 [0,2,0,0,0,0|0,1,0]=3 14352 B13R0.54 CCOCCCNCCCOC(=S)C 34a_100000210961_200135323944 [0,2,0,0,0,0|0,1,0]=3 14353 B13R0.54 CCOCCCNCCCOC(C)C 2230a_100000737246_100012232248 [0,2,0,0,0,0|1,0,1]=4 14354 B13R0.54 CCOCCCNCCCOC(C)C 34a_100000737246_100012232248 [0,2,0,0,0,0|1,0,1]=4 14355 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,2,0,0,0,0|0,1,0]=3 14356 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,2,0,0,0,0|0,1,0]=3 14357 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 14358 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 14359 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,2,0,0,0,0|2,0,0]=4 14360 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,2,0,0,0,0|1,0,0]=3 14361 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,2,0,0,0,0|1,0,0]=3 14362 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,2,0,0,0,0|2,0,0]=4 14363 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,2,0,0,0,0|2,0,0]=4 14364 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,2,0,0,0,0|1,0,0]=3 14365 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,2,0,0,0,0|0,0,0]=2 14366 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,2,0,0,0,0|0,0,0]=2 14367 B13R0.54 CCOCCCOCCCOC(=S)C 34a_100000757476_200135323944 [0,2,0,0,0,0|0,1,0]=3 14368 B13R0.54 CCOCCCOCCCOC(=S)C 7a_100000757476_200135323944 [0,2,0,0,0,0|0,1,0]=3 14369 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,2,0,0,0,0|0,1,0]=3 14370 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,2,0,0,0,0|0,1,0]=3 14371 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 14372 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 14373 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,2,0,0,0,0|1,0,0]=3 14374 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,2,0,0,0,0|1,0,0]=3 14375 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,2,0,0,0,0|0,0,0]=2 14376 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,2,0,0,0,0|0,0,0]=2 14377 B13R0.54 CCOCCCSCCCOC(=S)C 62a_100012232248_200135323944 [0,2,0,0,0,0|0,1,0]=3 14378 B13R0.54 CCOCCCSCCCOC(=S)C 62a_200135323944_100012232248 [0,2,0,0,0,0|0,1,0]=3 14379 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,2,0,0,0,0|0,1,0]=3 14380 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,2,0,0,0,0|0,1,0]=3 14381 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,2,0,0,0,0|2,0,0]=4 14382 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,2,0,0,0,0|2,0,0]=4 14383 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,2,0,0,0,0|2,0,0]=4 14384 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,2,0,0,0,0|2,0,0]=4 14385 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,2,0,0,0,0|1,0,0]=3 14386 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,2,0,0,0,0|1,0,0]=3 14387 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,2,0,0,0,0|0,0,0]=2 14388 B13R0.54 CCOCCNCCCCO[N+](=O)[O-] 34a_102516460346_100015694321 [0,2,0,0,0,0|2,0,0]=4 14389 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,2,0,0,0,0|0,1,0]=3 14390 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,2,0,0,0,0|0,1,0]=3 14391 B13R0.54 CCOCCNCOCCOC(=O)C 34a_102516460346_100000076355 [0,2,0,0,0,0|1,0,0]=3 14392 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,2,0,0,0,0|2,0,0]=4 14394 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,2,0,0,0,0|2,0,0]=4 14395 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,2,0,0,0,0|2,0,0]=4 14396 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,2,0,0,0,0|2,0,0]=4 14397 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,2,0,0,0,0|0,0,0]=2 14398 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,2,0,0,0,0|0,0,0]=2 14399 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,2,0,0,0,0|0,0,0]=2 14400 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,2,0,0,0,0|0,0,0]=2 14401 B13R0.54 CCOCCOCCCCO[N+](=O)[O-] 34a_100000210136_100015694321 [0,2,0,0,0,0|2,0,0]=4 14402 B13R0.54 CCOCCOCCCCO[N+](=O)[O-] 7a_100000210136_100015694321 [0,2,0,0,0,0|2,0,0]=4 14403 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,2,0,0,0,0|0,1,0]=3 14404 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,2,0,0,0,0|0,1,0]=3 14405 B13R0.54 CCOCCOCCNCOC(=O)C 34a_100102712874_100009813279 [0,2,0,0,0,0|1,0,0]=3 14406 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,2,0,0,0,0|2,0,0]=4 14407 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,2,0,0,0,0|2,0,0]=4 14408 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,2,0,0,0,0|2,0,0]=4 14409 B13R0.54 CCOCCOCCOCOC(=O)C 34a_100000210240_100009813279 [0,2,0,0,0,0|1,0,0]=3 14410 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,2,0,0,0,0|2,0,0]=4 14411 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,2,0,0,0,0|2,0,0]=4 14412 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100000076356_100011211534 [0,2,0,0,0,0|1,0,0]=3 14413 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100011211534_100000076356 [0,2,0,0,0,0|1,0,0]=3 14414 B13R0.54 CCOCCOCOCCOC(=O)C 34a_100000210136_100000076355 [0,2,0,0,0,0|1,0,0]=3 14415 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,2,0,0,0,0|2,0,0]=4 14416 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,2,0,0,0,0|2,0,0]=4 14417 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,2,0,0,0,0|0,0,0]=2 14418 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,2,0,0,0,0|0,0,0]=2 14419 B13R0.54 CCOCCSCCCCO[N+](=O)[O-] 62a_100000210147_100015694321 [0,2,0,0,0,0|2,0,0]=4 14420 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,2,0,0,0,0|0,1,0]=3 14421 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,2,0,0,0,0|0,1,0]=3 14422 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000076355_100011215890 [0,2,0,0,0,0|1,0,0]=3 14423 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000210147_100000076355 [0,2,0,0,0,0|1,0,0]=3 14424 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,2,0,0,0,0|0,0,0]=2 14425 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,2,0,0,0,0|0,0,0]=2 14426 B13R0.54 CCOCSCCOCCOC(=O)C 62a_100000739092_200000083610 [0,2,0,0,0,0|1,0,0]=3 14427 B13R0.54 CCOCSCCOCCOC(=O)C 62a_200000083610_100000739092 [0,2,0,0,0,0|1,0,0]=3 14428 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,2,0,0,0,0|1,0,0]=3 14429 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,2,0,0,0,0|1,0,0]=3 14430 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,2,0,0,0,0|0,0,0]=2 14431 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,2,0,0,0,0|0,0,0]=2 14432 B13R0.54 CCSCCCOCCCOC(=S)C 34a_100011216438_200135323944 [0,2,0,0,0,0|0,1,0]=3 14433 B13R0.54 CCSCCCOCCCOC(=S)C 7a_100011216438_200135323944 [0,2,0,0,0,0|0,1,0]=3 14434 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,2,0,0,0,0|0,1,0]=3 14435 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,2,0,0,0,0|0,1,0]=3 14436 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 14437 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 14438 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,2,0,0,0,0|2,0,0]=4 14439 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,2,0,0,0,0|1,0,0]=3 14440 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,2,0,0,0,0|1,0,0]=3 14441 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,2,0,0,0,0|0,1,0]=3 14442 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,2,0,0,0,0|2,0,0]=4 14443 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,2,0,0,0,0|2,0,0]=4 14444 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,2,0,0,0,0|2,0,0]=4 14445 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,2,0,0,0,0|2,0,0]=4 14446 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,2,0,0,0,0|2,0,0]=4 14447 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,2,0,0,0,0|0,0,0]=2 14448 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,2,0,0,0,0|0,0,0]=2 14449 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,2,0,0,0,0|0,0,0]=2 14450 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,2,0,0,0,0|0,0,0]=2 14451 B13R0.54 CCSCCOCCCCO[N+](=O)[O-] 34a_100000212035_100015694321 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.54 CCSCCOCCCCO[N+](=O)[O-] 7a_100000212035_100015694321 [0,2,0,0,0,0|2,0,0]=4 14453 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,2,0,0,0,0|0,1,0]=3 14454 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,2,0,0,0,0|0,1,0]=3 14455 B13R0.54 CCSCCOCOCCOC(=O)C 34a_100000212035_100000076355 [0,2,0,0,0,0|1,0,0]=3 14456 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,2,0,0,0,0|2,0,0]=4 14457 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,2,0,0,0,0|2,0,0]=4 14458 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,2,0,0,0,0|0,0,0]=2 14459 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,2,0,0,0,0|0,0,0]=2 14460 B13R0.54 CCSCCSCCCCO[N+](=O)[O-] 62a_100000757381_100015694321 [0,2,0,0,0,0|2,0,0]=4 14461 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,2,0,0,0,0|0,1,0]=3 14462 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,2,0,0,0,0|0,1,0]=3 14463 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000076355_100000757381 [0,2,0,0,0,0|1,0,0]=3 14464 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000757381_100000076355 [0,2,0,0,0,0|1,0,0]=3 14465 B13R0.54 CNCCCCCOCCC=C(C)C 34a_100000722520_100011217483 [0,2,0,0,0,0|2,0,0]=4 14466 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,2,0,0,0,0|1,0,0]=3 14467 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,2,0,0,0,0|2,0,0]=4 14468 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,2,0,0,0,0|0,0,0]=2 14469 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,2,0,0,0,0|1,0,0]=3 14470 B13R0.54 CNCCCCCOCCOC(C)C 34a_100000722520_100000211751 [0,2,0,0,0,0|1,0,1]=4 14471 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,2,0,0,0,0|0,0,0]=2 14473 B13R0.54 CNCCCOCCCCO[N+](=O)[O-] 34a_100000213112_100015694321 [0,2,0,0,0,0|2,0,0]=4 14474 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,2,0,0,0,0|0,1,0]=3 14475 B13R0.54 CNCCCOCOCCOC(=O)C 34a_100000213112_100000076355 [0,2,0,0,0,0|1,0,0]=3 14476 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,2,0,0,0,0|2,0,0]=4 14477 B13R0.54 CNCCOCCOCCOC(=O)C 34a_100000228057_100009814007 [0,2,0,0,0,0|1,0,0]=3 14478 B13R0.54 CNCCOCCOCCOC(=O)N 34a_100000228057_200011214921 [0,2,0,0,0,0|2,0,0]=4 14479 B13R0.54 COCCCCCCNCC=C(C)C 34a_100000718196_100011998445 [0,2,0,0,0,0|2,0,0]=4 14480 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,2,0,0,0,0|2,0,0]=4 14481 B13R0.54 COCCCCCCOCC=C(C)C 34a_100000753907_100011998445 [0,2,0,0,0,0|2,0,0]=4 14482 B13R0.54 COCCCCCCOCC=C(C)C 34a_200012092642_100000761012 [0,2,0,0,0,0|2,0,0]=4 14483 B13R0.54 COCCCCCCOCC=C(C)C 7a_200012092642_100000761012 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|1,0,0]=3 14485 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|1,0,0]=3 14486 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|1,0,0]=3 14487 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,2,0,0,0,0|2,0,0]=4 14488 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,2,0,0,0,0|2,0,0]=4 14489 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,2,0,0,0,0|2,0,0]=4 14490 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,2,0,0,0,0|2,0,0]=4 14491 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,2,0,0,0,0|0,0,0]=2 14492 B13R0.54 COCCCCCCOCOC(C)C 34a_200012092642_100000709892 [0,2,0,0,0,0|1,0,1]=4 14493 B13R0.54 COCCCCCCSCC=C(C)C 62a_100000761012_100011998445 [0,2,0,0,0,0|2,0,0]=4 14494 B13R0.54 COCCCCCCSCC=C(C)C 62a_100011998445_100000761012 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|1,0,0]=3 14496 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|1,0,0]=3 14497 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,2,0,0,0,0|2,0,0]=4 14498 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,2,0,0,0,0|2,0,0]=4 14499 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,2,0,0,0,0|0,0,0]=2 14500 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,2,0,0,0,0|0,0,0]=2 14501 B13R0.54 COCCCCCCSCOC(C)C 62a_100000709892_100011998445 [0,2,0,0,0,0|1,0,1]=4 14502 B13R0.54 COCCCCCCSCOC(C)C 62a_100011998445_100000709892 [0,2,0,0,0,0|1,0,1]=4 14503 B13R0.54 COCCCCCNCCC=C(C)C 2230a_100000747528_100011217483 [0,2,0,0,0,0|2,0,0]=4 14504 B13R0.54 COCCCCCNCCC=C(C)C 34a_100000747528_100011217483 [0,2,0,0,0,0|2,0,0]=4 14505 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|1,0,0]=3 14506 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,2,0,0,0,0|2,0,0]=4 14507 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,2,0,0,0,0|1,0,0]=3 14508 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,2,0,0,0,0|2,0,0]=4 14509 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,2,0,0,0,0|0,0,0]=2 14510 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,2,0,0,0,0|1,0,0]=3 14511 B13R0.54 COCCCCCNCCOC(C)C 2230a_100000747528_100000211751 [0,2,0,0,0,0|1,0,1]=4 14512 B13R0.54 COCCCCCNCCOC(C)C 34a_100000747528_100000211751 [0,2,0,0,0,0|1,0,1]=4 14513 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,2,0,0,0,0|2,0,0]=4 14514 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,2,0,0,0,0|1,0,0]=3 14515 B13R0.54 COCCCCNCCCOC(C)C 2230a_100000737246_100000730899 [0,2,0,0,0,0|1,0,1]=4 14516 B13R0.54 COCCCCNCCCOC(C)C 34a_100000737246_100000755781 [0,2,0,0,0,0|1,0,1]=4 14517 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|2,0,0]=4 14518 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|1,0,0]=3 14519 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,2,0,0,0,0|2,0,0]=4 14520 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,2,0,0,0,0|2,0,0]=4 14521 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,2,0,0,0,0|1,0,0]=3 14522 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,2,0,0,0,0|0,0,0]=2 14523 B13R0.54 COCCCCOCCCOC(=S)C 34a_100000740925_200135323944 [0,2,0,0,0,0|0,1,0]=3 14524 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,2,0,0,0,0|0,1,0]=3 14525 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,2,0,0,0,0|2,0,0]=4 14526 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|1,0,0]=3 14527 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|1,0,0]=3 14528 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,2,0,0,0,0|0,0,0]=2 14529 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,2,0,0,0,0|0,0,0]=2 14530 B13R0.54 COCCCCSCCCOC(=S)C 62a_100000730899_200135323944 [0,2,0,0,0,0|0,1,0]=3 14531 B13R0.54 COCCCCSCCCOC(=S)C 62a_200135323944_100000730899 [0,2,0,0,0,0|0,1,0]=3 14532 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,2,0,0,0,0|0,1,0]=3 14533 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,2,0,0,0,0|0,1,0]=3 14534 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,2,0,0,0,0|2,0,0]=4 14535 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,2,0,0,0,0|2,0,0]=4 14536 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,2,0,0,0,0|2,0,0]=4 14537 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,2,0,0,0,0|1,0,0]=3 14538 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,2,0,0,0,0|1,0,0]=3 14539 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,2,0,0,0,0|0,0,0]=2 14540 B13R0.54 COCCCNCCCCO[N+](=O)[O-] 34a_100150723488_100015694321 [0,2,0,0,0,0|2,0,0]=4 14541 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,2,0,0,0,0|0,1,0]=3 14542 B13R0.54 COCCCNCOCCOC(=O)C 34a_100150723488_100000076355 [0,2,0,0,0,0|1,0,0]=3 14543 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,2,0,0,0,0|2,0,0]=4 14544 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,2,0,0,0,0|2,0,0]=4 14545 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,2,0,0,0,0|2,0,0]=4 14546 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,2,0,0,0,0|2,0,0]=4 14547 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,2,0,0,0,0|0,0,0]=2 14548 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,2,0,0,0,0|0,0,0]=2 14549 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,2,0,0,0,0|0,0,0]=2 14550 B13R0.54 COCCCOCCCCO[N+](=O)[O-] 34a_100000740835_100015694321 [0,2,0,0,0,0|2,0,0]=4 14551 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,2,0,0,0,0|0,1,0]=3 14552 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 14553 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 14554 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,2,0,0,0,0|2,0,0]=4 14555 B13R0.54 COCCCOCOCCOC(=O)C 34a_100000740835_100000076355 [0,2,0,0,0,0|1,0,0]=3 14556 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,2,0,0,0,0|2,0,0]=4 14557 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,2,0,0,0,0|2,0,0]=4 14558 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,2,0,0,0,0|0,0,0]=2 14559 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,2,0,0,0,0|0,0,0]=2 14560 B13R0.54 COCCCSCCCCO[N+](=O)[O-] 62a_100000709357_100015694321 [0,2,0,0,0,0|2,0,0]=4 14561 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,2,0,0,0,0|0,1,0]=3 14562 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,2,0,0,0,0|0,1,0]=3 14563 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000076355_100000709357 [0,2,0,0,0,0|1,0,0]=3 14564 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000709357_100000076355 [0,2,0,0,0,0|1,0,0]=3 14565 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,2,0,0,0,0|1,0,0]=3 14566 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,2,0,0,0,0|1,0,0]=3 14567 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,2,0,0,0,0|0,0,0]=2 14568 B13R0.54 COCCNCCOCCOC(=O)C 2230a_100000209980_200000083610 [0,2,0,0,0,0|1,0,0]=3 14569 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,2,0,0,0,0|0,0,0]=2 14570 B13R0.54 COCCOCCCNCOC(=O)C 34a_100000206027_100009813279 [0,2,0,0,0,0|1,0,0]=3 14571 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,2,0,0,0,0|2,0,0]=4 14572 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,2,0,0,0,0|2,0,0]=4 14573 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,2,0,0,0,0|2,0,0]=4 14574 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,2,0,0,0,0|2,0,0]=4 14575 B13R0.54 COCCOCCCSCOC(=O)C 62a_100000076356_100011216529 [0,2,0,0,0,0|1,0,0]=3 14576 B13R0.54 COCCOCCCSCOC(=O)C 62a_100011216529_100000076356 [0,2,0,0,0,0|1,0,0]=3 14577 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,2,0,0,0,0|2,0,0]=4 14578 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000209853_100000695917 [0,2,0,0,0,0|2,0,0]=4 14579 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000745349_100000189650 [0,2,0,0,0,0|2,0,0]=4 14580 B13R0.54 COCCOCCNCCOC(=O)C 34a_100000745349_100009814007 [0,2,0,0,0,0|1,0,0]=3 14581 B13R0.54 COCCOCCNCCOC(=O)N 34a_100000745349_200011214921 [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,2,0,0,0,0|2,0,0]=4 14583 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,2,0,0,0,0|2,0,0]=4 14584 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,2,0,0,0,0|2,0,0]=4 14585 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,2,0,0,0,0|2,0,0]=4 14586 B13R0.54 COCCOCCOCCNC(=O)C 1626a_100012028300_100015343762 [0,2,0,0,0,0|2,0,0]=4 14587 B13R0.54 COCCOCCOCCNC(=O)C 240690a_100012028300_100015343762 [0,2,0,0,0,0|2,0,0]=4 14588 B13R0.54 COCCOCCOCCNC(=O)C 34a_100000158858_100000695917 [0,2,0,0,0,0|2,0,0]=4 14589 B13R0.54 COCCOCCOCCNC(=O)C 7a_100011215163_100000189650 [0,2,0,0,0,0|2,0,0]=4 14590 B13R0.54 COCCOCCOCCOC(=O)C 34a_100000210237_200000083610 [0,2,0,0,0,0|1,0,0]=3 14591 B13R0.54 COCCOCCOCCOC(=O)C 34a_100011215163_100009814007 [0,2,0,0,0,0|1,0,0]=3 14592 B13R0.54 COCCOCCOCCOC(=O)C 7a_100011215163_100009814007 [0,2,0,0,0,0|1,0,0]=3 14593 B13R0.54 COCCOCCOCCOC(=O)N 34a_100011215163_200011214921 [0,2,0,0,0,0|2,0,0]=4 14594 B13R0.54 COCCOCCOCCOC(=O)N 7a_100000766696_100000695917 [0,2,0,0,0,0|2,0,0]=4 14595 B13R0.54 COCCOCCOCCOC(=O)N 7a_100011215163_200011214921 [0,2,0,0,0,0|2,0,0]=4 14596 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,2,0,0,0,0|2,0,0]=4 14597 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,2,0,0,0,0|2,0,0]=4 14598 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000189650_100000695917 [0,2,0,0,0,0|2,0,0]=4 14599 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000695917_100000189650 [0,2,0,0,0,0|2,0,0]=4 14600 B13R0.54 COCCOCCSCCOC(=O)C 62a_100000695917_100009814007 [0,2,0,0,0,0|1,0,0]=3 14601 B13R0.54 COCCOCCSCCOC(=O)C 62a_100009814007_100000695917 [0,2,0,0,0,0|1,0,0]=3 14602 B13R0.54 COCCOCCSCCOC(=O)N 62a_100000695917_200011214921 [0,2,0,0,0,0|2,0,0]=4 14603 B13R0.54 COCCOCCSCCOC(=O)N 62a_200011214921_100000695917 [0,2,0,0,0,0|2,0,0]=4 14604 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,2,0,0,0,0|2,0,0]=4 14605 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,2,0,0,0,0|2,0,0]=4 14606 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000042594_100000231047 [0,2,0,0,0,0|1,0,0]=3 14607 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000231047_100000042594 [0,2,0,0,0,0|1,0,0]=3 14608 B13R0.54 COCCOCSCCCOC(=S)C 62a_100000231047_200135323944 [0,2,0,0,0,0|1,1,0]=4 14609 B13R0.54 COCCOCSCCCOC(=S)C 62a_200135323944_100000231047 [0,2,0,0,0,0|1,1,0]=4 14610 B13R0.54 COCCOCSCCCSC(=O)C 62a_100000038929_100000231047 [0,2,0,0,0,0|1,1,0]=4 14611 B13R0.54 COCCOCSCCCSC(=O)C 62a_100000231047_100000038929 [0,2,0,0,0,0|1,1,0]=4 14612 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,2,0,0,0,0|0,0,0]=2 14613 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,2,0,0,0,0|0,0,0]=2 14614 B13R0.54 COCCSCCOCCOC(=O)C 62a_100000233755_200000083610 [0,2,0,0,0,0|1,0,0]=3 14615 B13R0.54 COCCSCCOCCOC(=O)C 62a_200000083610_100000233755 [0,2,0,0,0,0|1,0,0]=3 14616 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,2,0,0,0,0|1,0,0]=3 14617 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,2,0,0,0,0|2,0,0]=4 14618 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,2,0,0,0,0|2,0,0]=4 14619 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,2,0,0,0,0|1,0,0]=3 14620 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,2,0,0,0,0|1,0,0]=3 14621 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,2,0,0,0,0|0,0,0]=2 14622 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,2,0,0,0,0|0,0,0]=2 14623 B13R0.54 CSCCCCOCCCOC(=S)C 34a_100011217163_200135323944 [0,2,0,0,0,0|0,1,0]=3 14624 B13R0.54 CSCCCCOCCCOC(=S)C 7a_100011217163_200135323944 [0,2,0,0,0,0|0,1,0]=3 14625 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,2,0,0,0,0|0,1,0]=3 14626 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,2,0,0,0,0|0,1,0]=3 14627 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 14628 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 14629 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,2,0,0,0,0|2,0,0]=4 14630 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,2,0,0,0,0|0,1,0]=3 14631 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,2,0,0,0,0|2,0,0]=4 14632 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,2,0,0,0,0|2,0,0]=4 14633 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,2,0,0,0,0|0,0,0]=2 14634 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,2,0,0,0,0|0,0,0]=2 14635 B13R0.54 CSCCCOCCCCO[N+](=O)[O-] 34a_100000690336_100015694321 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.54 CSCCCOCCCCO[N+](=O)[O-] 7a_100000690336_100015694321 [0,2,0,0,0,0|2,0,0]=4 14637 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,2,0,0,0,0|0,1,0]=3 14638 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,2,0,0,0,0|0,1,0]=3 14639 B13R0.54 CSCCCOCOCCOC(=O)C 34a_100000690336_100000076355 [0,2,0,0,0,0|1,0,0]=3 14640 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,2,0,0,0,0|1,0,0]=3 14641 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,2,0,0,0,0|1,0,0]=3 14642 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,2,0,0,0,0|0,0,0]=2 14643 B13R0.54 CSCCNCCOCCOC(=O)C 2230a_100020590264_200000083610 [0,2,0,0,0,0|1,0,0]=3 14644 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,2,0,0,0,0|0,0,0]=2 14645 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,2,0,0,0,0|0,0,0]=2 14646 B13R0.54 CSCCOCCOCCOC(=O)C 34a_100000230434_200000083610 [0,2,0,0,0,0|1,0,0]=3 14647 B13R0.54 CSCCOCCOCCOC(=O)C 7a_100000230434_200000083610 [0,2,0,0,0,0|1,0,0]=3 14648 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,2,0,0,0,0|0,0,0]=2 14649 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,2,0,0,0,0|0,0,0]=2 14650 B13R0.54 CSCCSCCOCCOC(=O)C 62a_100000212216_200000083610 [0,2,0,0,0,0|1,0,0]=3 14651 B13R0.54 CSCCSCCOCCOC(=O)C 62a_200000083610_100000751147 [0,2,0,0,0,0|1,0,0]=3 14652 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,2,0,0,0,0|1,0,0]=3 14653 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,2,0,0,0,0|1,0,0]=3 14654 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,2,0,0,0,0|1,0,1]=4 14655 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,2,0,0,0,0|1,0,1]=4 14656 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|0,0,2]=4 14657 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|0,0,2]=4 14658 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 14659 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 14660 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 14661 B13R0.54 N#CCCCCCOCCOC(=O)N 7a_100000766696_100009813376 [0,2,0,0,0,0|1,0,1]=4 14662 B13R0.54 N#CCCCCCSCCOC(=O)N 62a_100009813376_200011214921 [0,2,0,0,0,0|1,0,1]=4 14663 B13R0.54 N#CCCCCCSCCOC(=O)N 62a_200011214921_100009813376 [0,2,0,0,0,0|1,0,1]=4 14664 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|2,0,0]=4 14665 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|2,0,0]=4 14666 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,2,0,0,0,0|2,0,0]=4 14668 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,2,0,0,0,0|2,0,0]=4 14669 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,2,0,0,0,0|2,0,0]=4 14670 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,2,0,0,0,0|2,0,0]=4 14671 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,2,0,0,0,0|2,0,0]=4 14673 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,2,0,0,0,0|2,0,0]=4 14674 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|2,0,0]=4 14675 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|2,0,0]=4 14676 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,2,0,0,0,0|2,0,0]=4 14677 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,2,0,0,0,0|2,0,0]=4 14678 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|2,0,0]=4 14679 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|2,0,0]=4 14680 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,2,0,0,0,0|2,0,0]=4 14681 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|2,0,0]=4 14682 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,2,0,0,0,0|2,0,0]=4 14683 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,2,0,0,0,0|2,0,0]=4 14684 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|2,0,0]=4 14685 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|2,0,0]=4 14686 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,2,0,0,0,0|2,0,0]=4 14687 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|2,0,0]=4 14688 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|2,0,0]=4 14689 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,2,0,0,0,0|2,0,0]=4 14690 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,2,0,0,0,0|2,0,0]=4 14691 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,2,0,0,0,0|2,0,0]=4 14692 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,2,0,0,0,0|2,0,0]=4 14693 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,2,0,0,0,0|2,0,0]=4 14694 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,2,0,0,0,0|2,0,0]=4 14695 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,2,0,0,0,0|2,0,0]=4 14696 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,2,0,0,0,0|2,0,0]=4 14697 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|2,0,0]=4 14698 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|2,0,0]=4 14699 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|2,0,0]=4 14700 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|2,0,0]=4 14701 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,2,0,0,0,0|2,0,0]=4 14702 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,2,0,0,0,0|2,0,0]=4 14703 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|2,0,0]=4 14704 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|2,0,0]=4 14705 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|2,0,0]=4 14706 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|2,0,0]=4 14707 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|2,0,0]=4 14708 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|2,0,0]=4 14709 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|2,0,0]=4 14710 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 14711 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 14712 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 14713 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 14714 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 14715 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 14716 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 14717 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 14721 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 14722 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,2,0,0,0,0|2,0,0]=4 14723 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,2,0,0,0,0|2,0,0]=4 14724 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,2,0,0,0,0|2,0,0]=4 14725 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 14726 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,1,0]=4 14727 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,1,0]=4 14728 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,2,0,0,0,0|2,0,0]=4 14729 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,2,0,0,0,0|2,0,0]=4 14732 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 14733 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,2,0,0,0,0|2,0,0]=4 14735 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,2,0,0,0,0|2,0,0]=4 14736 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,2,0,0,0,0|2,0,0]=4 14737 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,2,0,0,0,0|2,0,0]=4 14738 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 14739 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,2,0,0,0,0|2,0,0]=4 14740 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,2,0,0,0,0|1,0,0]=3 14741 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [0,2,0,0,0,0|1,0,1]=4 14742 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,2,0,0,0,0|1,0,0]=3 14743 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,2,0,0,0,0|1,0,0]=3 14744 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,2,0,0,0,0|1,0,0]=3 14745 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,2,0,0,0,0|1,0,0]=3 14746 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,2,0,0,0,0|1,0,0]=3 14747 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,2,0,0,0,0|1,0,0]=3 14748 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,2,0,0,0,0|1,0,0]=3 14749 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,2,0,0,0,0|1,0,0]=3 14750 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [0,2,0,0,0,0|1,0,1]=4 14751 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [0,2,0,0,0,0|1,0,1]=4 14752 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,2,0,0,0,0|1,0,0]=3 14753 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,2,0,0,0,0|1,0,0]=3 14754 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,2,0,0,0,0|1,0,0]=3 14755 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,2,0,0,0,0|1,0,0]=3 14756 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 14757 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,0]=3 14758 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 14759 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,2,0,0,0,0|2,0,0]=4 14760 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,2,0,0,0,0|2,0,0]=4 14761 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,2,0,0,0,0|1,0,0]=3 14762 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 14763 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,2,0,0,0,0|2,0,0]=4 14764 B13R0.54 NCCCCOCCCCO[N+](=O)[O-] 34a_100000750430_100015694321 [0,2,0,0,0,0|2,0,0]=4 14765 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,2,0,0,0,0|2,0,0]=4 14766 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,2,0,0,0,0|2,0,0]=4 14767 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|2,0,0]=4 14768 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|2,0,0]=4 14769 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|2,0,0]=4 14770 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|2,0,0]=4 14771 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,2,0,0,0,0|2,0,0]=4 14772 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|2,0,0]=4 14773 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|2,0,0]=4 14774 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,2,0,0,0,0|1,0,0]=3 14775 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,2,0,0,0,0|1,0,0]=3 14776 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|1,1,0]=4 14777 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|1,1,0]=4 14778 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,2,0,0,0,0|2,0,0]=4 14779 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 14780 B13R0.54 O=[N+]([O-])OCCCCNCCCCO 34a_100000750430_100015694321 [0,2,0,0,0,0|2,0,0]=4 14781 B13R0.54 O=[N+]([O-])OCCCCOCCCCBr 34a_100011216708_100015694321 [0,2,0,0,0,0|2,0,0]=4 14782 B13R0.54 O=[N+]([O-])OCCCCOCCCCCl 34a_100000210776_100015694321 [0,2,0,0,0,0|2,0,0]=4 14783 B13R0.54 O=[N+]([O-])OCCCCOCCCCCl 7a_100000210776_100015694321 [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.54 O=[N+]([O-])OCCCCOCCCCF 34a_100011995726_100015694321 [0,2,0,0,0,0|2,0,0]=4 14785 B13R0.54 O=[N+]([O-])OCCCCOCCCCF 7a_100011995726_100015694321 [0,2,0,0,0,0|2,0,0]=4 14786 B13R0.54 O=[N+]([O-])OCCCCOCCCCI 34a_200012148704_100015694321 [0,2,0,0,0,0|2,0,0]=4 14787 B13R0.54 O=[N+]([O-])OCCCCSCCCCF 62a_100000729493_100015694321 [0,2,0,0,0,0|2,0,0]=4 14788 B13R0.54 O=[N+]([O-])OCCCCSCCCCO 62a_100000210776_100015694321 [0,2,0,0,0,0|2,0,0]=4 14789 B13R0.54 [13CH3]C(=O)COCCOCCOCCO 1458a_100010423381_200025704644 [0,2,0,0,0,0|2,0,0]=4 14790 B13R0.119 C#CCCC(=O)CCCCOC(=O)C 1458a_100000692101_100000033659 [0,2,0,0,0,0|0,0,2]=4 14791 B13R0.119 C=CCCC(=O)CCCCOC(=O)C 1458a_100000749702_100000033659 [0,2,0,0,0,0|0,0,2]=4 14792 B13R0.119 C=CCCC(C)OCCCOC(=O)C 34a_100000765329_100000042594 [0,2,0,0,0,0|0,0,2]=4 14793 B13R0.119 C=CCCC(C)OCCCOC(=O)C 7a_100000765329_100000042594 [0,2,0,0,0,0|0,0,2]=4 14794 B13R0.119 C=CCCN(C)CCCCOC(=O)C 269982a_100020639649_100000033659 [0,2,0,0,0,0|0,0,2]=4 14795 B13R0.119 CC(=O)CCCCOC(C)CCCCl 34a_200000718107_100009817362 [0,2,0,0,0,0|2,0,0]=4 14796 B13R0.119 CC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000735457 [0,2,0,0,0,0|2,0,0]=4 14797 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,2,0,0,0,0|2,0,0]=4 14798 B13R0.119 CC(=O)NCCNC[C@H](C)CCCO 2230a_100160569302_100000189650 [0,2,0,0,0,0|2,0,0]=4 14799 B13R0.119 CC(=O)OCCCCC(=O)CCC#N 1458a_100011934036_100000033659 [0,2,0,0,0,0|0,0,2]=4 14800 B13R0.119 CC(=O)OCCCCN(C)CCCO 269982a_100000213112_100000033659 [0,2,0,0,0,0|1,0,0]=3 14801 B13R0.119 CC(=O)OCCCOC(C)CCCCl 34a_200000718107_100000042594 [0,2,0,0,0,0|1,0,0]=3 14802 B13R0.119 CC(=O)OCCCOC(C)CCCCl 7a_200000718107_100000042594 [0,2,0,0,0,0|1,0,0]=3 14803 B13R0.119 CC(=O)OCCNC[C@H](C)CCCO 34a_100160569302_100009814007 [0,2,0,0,0,0|1,0,0]=3 14804 B13R0.119 CC(=O)OCCOCN(C)CCCO 269982a_100000213112_100000076355 [0,2,0,0,0,0|2,0,0]=4 14805 B13R0.119 CC(=O)SCCCCN(C)CCCO 2230a_100000213112_200010402107 [0,2,0,0,0,0|1,1,0]=4 14806 B13R0.119 CC(=O)SCCCCN(C)CCCO 269982a_100000213112_200010402107 [0,2,0,0,0,0|1,1,0]=4 14807 B13R0.119 CC(=O)SCCCOC(C)CCCCl 34a_200000718107_100000038929 [0,2,0,0,0,0|1,1,0]=4 14808 B13R0.119 CC(=O)SCCCOC(C)CCCCl 7a_200000718107_100000038929 [0,2,0,0,0,0|1,1,0]=4 14809 B13R0.119 CC(=S)OCCCOC(C)CCCCl 34a_200000718107_200135323944 [0,2,0,0,0,0|1,1,0]=4 14810 B13R0.119 CC(=S)OCCCOC(C)CCCCl 7a_200000718107_200135323944 [0,2,0,0,0,0|1,1,0]=4 14811 B13R0.119 CC=CCC(=O)CCCCOC(=O)C 1458a_100121576822_100000033659 [0,2,0,0,0,0|0,0,2]=4 14812 B13R0.119 CCC#CC(=O)CCCCOC(=O)C 1458a_100011827653_100000033659 [0,2,0,0,0,0|0,0,2]=4 14813 B13R0.119 CCC#CC(C)OCCCOC(=O)C 34a_100000033903_100000042594 [0,2,0,0,0,0|0,0,2]=4 14814 B13R0.119 CCC#CC(C)OCCCOC(=O)C 7a_100000033903_100000042594 [0,2,0,0,0,0|0,0,2]=4 14815 B13R0.119 CCC=CC(=O)CCCCOC(=O)C 1458a_100000212282_100000033659 [0,2,0,0,0,0|0,0,2]=4 14816 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [0,2,0,0,0,0|2,0,0]=4 14817 B13R0.119 CCCCC(=O)CCCCOC(=O)C 1458a_100000210183_100000033659 [0,2,0,0,0,0|0,0,0]=2 14818 B13R0.119 CCCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000210183_100015694321 [0,2,0,0,0,0|2,0,0]=4 14819 B13R0.119 CCCCC(=O)CCCCSC(=O)C 1458a_100000210183_200010402107 [0,2,0,0,0,0|0,1,0]=3 14820 B13R0.119 CCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000210183 [0,2,0,0,0,0|1,0,1]=4 14821 B13R0.119 CCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210183 [0,2,0,0,0,0|1,0,1]=4 14822 B13R0.119 CCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000210183 [0,2,0,0,0,0|1,0,1]=4 14823 B13R0.119 CCCCC(C)CCCCOC(C)C 34a_200011021034_100000210206 [0,2,0,0,0,0|1,0,1]=4 14824 B13R0.119 CCCCC(C)CCCCOC(C)C 7a_200011021034_100000210206 [0,2,0,0,0,0|1,0,1]=4 14825 B13R0.119 CCCCC(C)COCCC=C(C)C 34a_100011995851_100011217483 [0,2,0,0,0,0|2,0,0]=4 14826 B13R0.119 CCCCC(C)COCCC=C(C)C 7a_100011995851_100011217483 [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [0,2,0,0,0,0|1,0,0]=3 14828 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [0,2,0,0,0,0|1,0,0]=3 14829 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [0,2,0,0,0,0|2,0,0]=4 14830 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [0,2,0,0,0,0|2,0,0]=4 14831 B13R0.119 CCCCC(C)COCCNC(=O)C 7a_100011995851_100000189650 [0,2,0,0,0,0|1,0,0]=3 14832 B13R0.119 CCCCC(C)COCCNC(=O)N 7a_100011995851_200000034859 [0,2,0,0,0,0|2,0,0]=4 14833 B13R0.119 CCCCC(C)COCCOC(=O)C 34a_100011995851_100009814007 [0,2,0,0,0,0|0,0,0]=2 14834 B13R0.119 CCCCC(C)COCCOC(=O)C 7a_100011995851_100009814007 [0,2,0,0,0,0|0,0,0]=2 14835 B13R0.119 CCCCC(C)COCCOC(=O)N 34a_100011995851_200011214921 [0,2,0,0,0,0|1,0,0]=3 14836 B13R0.119 CCCCC(C)COCCOC(=O)N 7a_100011995851_200011214921 [0,2,0,0,0,0|1,0,0]=3 14837 B13R0.119 CCCCC(C)COCCOC(C)C 34a_100011995851_100000211751 [0,2,0,0,0,0|1,0,1]=4 14838 B13R0.119 CCCCC(C)COCCOC(C)C 7a_100011995851_100000211751 [0,2,0,0,0,0|1,0,1]=4 14839 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [0,2,0,0,0,0|2,0,0]=4 14840 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [0,2,0,0,0,0|2,0,0]=4 14841 B13R0.119 CCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210087 [0,2,0,0,0,0|1,0,0]=3 14842 B13R0.119 CCCCC(C)NCCCNC(=O)C 34a_100000736810_200011215066 [0,2,0,0,0,0|1,0,0]=3 14843 B13R0.119 CCCCC(C)NCCCOC(=S)C 2230a_100000126638_200135323944 [0,2,0,0,0,0|0,1,0]=3 14844 B13R0.119 CCCCC(C)NCCCOC(C)C 2230a_100000737246_200011215066 [0,2,0,0,0,0|1,0,1]=4 14845 B13R0.119 CCCCC(C)NCCCOC(C)C 270004a_100000737246_100000210087 [0,2,0,0,0,0|1,0,1]=4 14846 B13R0.119 CCCCC(C)NCCCOC(C)C 34a_100000737246_200011215066 [0,2,0,0,0,0|1,0,1]=4 14847 B13R0.119 CCCCC(C)NCCCSC(=O)C 2230a_100000126638_100000038929 [0,2,0,0,0,0|0,1,0]=3 14848 B13R0.119 CCCCC(C)NCCOCC(=O)N 2230a_100000126638_100000076697 [0,2,0,0,0,0|2,0,0]=4 14849 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,2,0,0,0,0|2,0,0]=4 14850 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [0,2,0,0,0,0|1,0,0]=3 14851 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [0,2,0,0,0,0|1,0,0]=3 14852 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [0,2,0,0,0,0|2,0,0]=4 14853 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [0,2,0,0,0,0|2,0,0]=4 14854 B13R0.119 CCCCC(C)OCCCNC(=O)C 34a_100000752032_200011215066 [0,2,0,0,0,0|1,0,0]=3 14855 B13R0.119 CCCCC(C)OCCCOC(=O)C 34a_100000687866_100000042594 [0,2,0,0,0,0|0,0,0]=2 14856 B13R0.119 CCCCC(C)OCCCOC(=O)C 7a_100000687866_100000042594 [0,2,0,0,0,0|0,0,0]=2 14857 B13R0.119 CCCCC(C)OCCCOC(=S)C 34a_100000687866_200135323944 [0,2,0,0,0,0|0,1,0]=3 14858 B13R0.119 CCCCC(C)OCCCOC(=S)C 7a_100000687866_200135323944 [0,2,0,0,0,0|0,1,0]=3 14859 B13R0.119 CCCCC(C)OCCCSC(=O)C 34a_100000687866_100000038929 [0,2,0,0,0,0|0,1,0]=3 14860 B13R0.119 CCCCC(C)OCCCSC(=O)C 7a_100000687866_100000038929 [0,2,0,0,0,0|0,1,0]=3 14861 B13R0.119 CCCCC(C)OCCOCC(=O)N 34a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 14862 B13R0.119 CCCCC(C)OCCOCC(=O)N 7a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 14863 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [0,2,0,0,0,0|1,0,0]=3 14864 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [0,2,0,0,0,0|1,0,0]=3 14865 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_100000042594_200011215066 [0,2,0,0,0,0|0,0,0]=2 14866 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_200011215066_100000042594 [0,2,0,0,0,0|0,0,0]=2 14867 B13R0.119 CCCCC(C)SCCCOC(=S)C 62a_200011215066_200135323944 [0,2,0,0,0,0|0,1,0]=3 14868 B13R0.119 CCCCC(C)SCCCOC(=S)C 62a_200135323944_200011215066 [0,2,0,0,0,0|0,1,0]=3 14869 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_100000038929_200011215066 [0,2,0,0,0,0|0,1,0]=3 14870 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_200011215066_100000038929 [0,2,0,0,0,0|0,1,0]=3 14871 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_100000076697_200011215066 [0,2,0,0,0,0|2,0,0]=4 14872 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_200011215066_100000076697 [0,2,0,0,0,0|2,0,0]=4 14873 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [0,2,0,0,0,0|2,0,0]=4 14874 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [0,2,0,0,0,0|2,0,0]=4 14875 B13R0.119 CCCCN(C)CCCCOC(=O)C 269982a_100000207549_100000033659 [0,2,0,0,0,0|0,0,0]=2 14876 B13R0.119 CCCCN(C)CCCCO[N+](=O)[O-] 269982a_100000207549_100015694321 [0,2,0,0,0,0|2,0,0]=4 14877 B13R0.119 CCCCN(C)CCCCSC(=O)C 2230a_100000207549_200010402107 [0,2,0,0,0,0|0,1,0]=3 14878 B13R0.119 CCCCN(C)CCCCSC(=O)C 269982a_100000207549_200010402107 [0,2,0,0,0,0|0,1,0]=3 14879 B13R0.119 CCCCN(C)COCCOC(=O)C 269982a_100000207549_100000076355 [0,2,0,0,0,0|1,0,0]=3 14880 B13R0.119 CCCC[C@H](N)COCCC=C(C)C 34a_100011934283_100011217483 [0,2,0,0,0,0|2,0,0]=4 14881 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|1,0,0]=3 14882 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [0,2,0,0,0,0|2,0,0]=4 14883 B13R0.119 CCCC[C@H](N)COCCOC(=O)C 34a_100011934283_100009814007 [0,2,0,0,0,0|0,0,0]=2 14884 B13R0.119 CCCC[C@H](N)COCCOC(=O)N 34a_100011934283_200011214921 [0,2,0,0,0,0|1,0,0]=3 14885 B13R0.119 CCCC[C@H](N)COCCOC(C)C 34a_100011934283_100000211751 [0,2,0,0,0,0|1,0,1]=4 14886 B13R0.119 CCCNC(=O)CSCCOC(=O)C 62a_100000183358_100009814007 [0,2,0,0,0,0|1,0,1]=4 14887 B13R0.119 CCCNC(=O)CSCCOC(=O)C 62a_100009814007_100000183358 [0,2,0,0,0,0|1,0,1]=4 14888 B13R0.119 CCCOC(=O)CSCCOC(=O)C 62a_100009814007_200011215008 [0,2,0,0,0,0|1,0,1]=4 14889 B13R0.119 CCCOC(=O)CSCCOC(=O)C 62a_200011215008_100009814007 [0,2,0,0,0,0|1,0,1]=4 14890 B13R0.119 CCCOC(C)CNCCCC(=O)C 34a_100015185124_100000685027 [0,2,0,0,0,0|2,0,0]=4 14891 B13R0.119 CCCOC(C)CNCCNC(=O)C 2230a_100015185124_100000189650 [0,2,0,0,0,0|2,0,0]=4 14892 B13R0.119 CCCOC(C)CNCCOC(=O)C 34a_100015185124_100009814007 [0,2,0,0,0,0|1,0,0]=3 14893 B13R0.119 CCCOC(C)CNCCOC(=O)N 34a_100015185124_200011214921 [0,2,0,0,0,0|2,0,0]=4 14894 B13R0.119 CCOCC(=O)CCCCOC(=O)C 1458a_100000211967_100000033659 [0,2,0,0,0,0|0,0,1]=3 14895 B13R0.119 CCOCC(=O)CCCCSC(=O)C 1458a_100000211967_200010402107 [0,2,0,0,0,0|0,1,1]=4 14896 B13R0.119 CCOCC(C)OCCCCC(=O)C 34a_100000718985_100009817362 [0,2,0,0,0,0|2,0,0]=4 14897 B13R0.119 CCOCC(C)OCCCCC(=O)C 7a_100000718985_100000735457 [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.119 CCOCC(C)OCCCOC(=O)C 34a_100000718985_100000042594 [0,2,0,0,0,0|1,0,0]=3 14899 B13R0.119 CCOCC(C)OCCCOC(=O)C 7a_100000718985_100000042594 [0,2,0,0,0,0|1,0,0]=3 14900 B13R0.119 CCOCC(C)OCCCOC(=S)C 34a_100000718985_200135323944 [0,2,0,0,0,0|1,1,0]=4 14901 B13R0.119 CCOCC(C)OCCCOC(=S)C 7a_100000718985_200135323944 [0,2,0,0,0,0|1,1,0]=4 14902 B13R0.119 CCOCC(C)OCCCSC(=O)C 34a_100000718985_100000038929 [0,2,0,0,0,0|1,1,0]=4 14903 B13R0.119 CCOCC(C)OCCCSC(=O)C 7a_100000718985_100000038929 [0,2,0,0,0,0|1,1,0]=4 14904 B13R0.119 CCOCC(O)CNCCCC(=O)C 34a_102515437182_100000685027 [0,2,0,0,0,0|2,0,0]=4 14905 B13R0.119 CCOCC(O)CNCCNC(=O)C 2230a_102515437182_100000189650 [0,2,0,0,0,0|2,0,0]=4 14906 B13R0.119 CCOCC(O)CNCCOC(=O)C 34a_102515437182_100009814007 [0,2,0,0,0,0|1,0,0]=3 14907 B13R0.119 CCOCC(O)CNCCOC(=O)N 34a_102515437182_200011214921 [0,2,0,0,0,0|2,0,0]=4 14908 B13R0.119 CCSCC(=O)CCCCOC(=O)C 1458a_100000230394_100000033659 [0,2,0,0,0,0|0,0,1]=3 14909 B13R0.119 CCSCC(=O)CCCCSC(=O)C 1458a_100000230394_200010402107 [0,2,0,0,0,0|0,1,1]=4 14910 B13R0.119 CCSCC(C)NCCCNC(=O)C 270004a_100000736810_200011216171 [0,2,0,0,0,0|2,0,0]=4 14911 B13R0.119 COCCC(=O)CCCCOC(=O)C 1458a_100000749529_100000033659 [0,2,0,0,0,0|0,0,1]=3 14912 B13R0.119 COCCC(=O)CCCCSC(=O)C 1458a_100000749529_200010402107 [0,2,0,0,0,0|0,1,1]=4 14913 B13R0.119 COCCC(C)NCCCNC(=O)C 270004a_100000736810_100000742357 [0,2,0,0,0,0|2,0,0]=4 14914 B13R0.119 COCCN(C)CCCCOC(=O)C 269982a_100000743101_100000033659 [0,2,0,0,0,0|1,0,0]=3 14915 B13R0.119 COCCN(C)CCCCSC(=O)C 2230a_100000743101_200010402107 [0,2,0,0,0,0|1,1,0]=4 14916 B13R0.119 COCCN(C)CCCCSC(=O)C 269982a_100000743101_200010402107 [0,2,0,0,0,0|1,1,0]=4 14917 B13R0.119 COCCN(C)COCCOC(=O)C 269982a_100000743101_100000076355 [0,2,0,0,0,0|2,0,0]=4 14918 B13R0.119 COCO[C@H](C)COCCOC(=O)C 34a_100016172286_100009814007 [0,2,0,0,0,0|2,0,0]=4 14919 B13R0.119 COCO[C@H](C)COCCOC(=O)C 7a_100016172286_100009814007 [0,2,0,0,0,0|2,0,0]=4 14920 B13R0.119 CSCCC(=O)CCCCOC(=O)C 1458a_100000174002_100000033659 [0,2,0,0,0,0|0,0,1]=3 14921 B13R0.119 CSCCC(=O)CCCCSC(=O)C 1458a_100000174002_200010402107 [0,2,0,0,0,0|0,1,1]=4 14922 B13R0.119 CSCCC(C)NCCCNC(=O)C 270004a_100000736810_100011217047 [0,2,0,0,0,0|2,0,0]=4 14923 B13R0.119 CSCCN(C)CCCCOC(=O)C 269982a_100000686725_100000033659 [0,2,0,0,0,0|1,0,0]=3 14924 B13R0.119 CSCCN(C)CCCCSC(=O)C 2230a_100000686725_200010402107 [0,2,0,0,0,0|1,1,0]=4 14925 B13R0.119 CSCCN(C)CCCCSC(=O)C 269982a_100000686725_200010402107 [0,2,0,0,0,0|1,1,0]=4 14926 B13R0.119 CSCCN(C)COCCOC(=O)C 269982a_100000686725_100000076355 [0,2,0,0,0,0|2,0,0]=4 14927 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [0,2,0,0,0,0|2,0,0]=4 14928 B13R0.119 CSCC[C@H](N)COCCOC(=O)C 34a_100011827619_100009814007 [0,2,0,0,0,0|1,0,0]=3 14929 B13R0.119 CSCC[C@H](N)COCCOC(=O)N 34a_100011827619_200011214921 [0,2,0,0,0,0|2,0,0]=4 14930 B13R0.119 C[C@H](CCCO)CNCCOC(=O)N 34a_100160569302_200011214921 [0,2,0,0,0,0|2,0,0]=4 14931 B13R0.147 C#C/C(=C\COCCCCCCC)/C 34a_100016990848_100000210614 [0,2,0,0,0,0|2,0,0]=4 14932 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|1,0,1]=4 14933 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|1,0,1]=4 14934 B13R0.147 C#CC(C)OCCCCCCCCBr 34a_100009813846_200000035995 [0,2,0,0,0,0|1,0,1]=4 14935 B13R0.147 C#CC(C)OCCCCCCCCC 34a_100000210712_200000035995 [0,2,0,0,0,0|1,0,1]=4 14936 B13R0.147 C#CC(C)OCCCCCCCCCl 34a_100000033203_200000035995 [0,2,0,0,0,0|1,0,1]=4 14937 B13R0.147 C#CC(C)OCCCCCCCCN 34a_102515433106_200000035995 [0,2,0,0,0,0|1,0,1]=4 14938 B13R0.147 C#CC(C)OCCCCNCCCC 34a_200011216965_200000035995 [0,2,0,0,0,0|1,0,1]=4 14939 B13R0.147 C#CC(C)OCCCCOCCCC 34a_200000760531_200000035995 [0,2,0,0,0,0|1,0,1]=4 14940 B13R0.147 C#CC(C)OCCOCCCCCC 34a_100000691444_200000035995 [0,2,0,0,0,0|1,0,1]=4 14941 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|1,0,1]=4 14942 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,2,0,0,0,0|1,0,1]=4 14943 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,2,0,0,0,0|1,0,1]=4 14944 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,2,0,0,0,0|1,0,1]=4 14945 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,2,0,0,0,0|1,0,1]=4 14946 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,2,0,0,0,0|1,0,1]=4 14947 B13R0.147 C#CCCCCCCOCC(=O)CC 34a_100000725409_100012276617 [0,2,0,0,0,0|0,0,2]=4 14948 B13R0.147 C#CCCCCCCOCC(=O)CC 7a_100011217361_100000747405 [0,2,0,0,0,0|0,0,2]=4 14949 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100000750040_100012276617 [0,2,0,0,0,0|0,0,2]=4 14950 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100011217361_100000183359 [0,2,0,0,0,0|0,0,2]=4 14951 B13R0.147 C#CCCCCCCOCC(=O)NC 7a_100011217361_100000183359 [0,2,0,0,0,0|0,0,2]=4 14952 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 14953 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,2,0,0,0,0|0,0,2]=4 14954 B13R0.147 C#CCCCCCSCOC(=O)OC 62a_100012094781_100000139417 [0,2,0,0,0,0|0,0,2]=4 14955 B13R0.147 C#CCCCCNCCOC(=O)NC 34a_100000706060_200011997002 [0,2,0,0,0,0|0,0,2]=4 14956 B13R0.147 C#CCCCCOCCOC(=O)CC 7a_200000031056_100010269958 [0,2,0,0,0,0|0,0,2]=4 14957 B13R0.147 C#CCCCCOCCOC(=O)NC 34a_100000766709_200011997002 [0,2,0,0,0,0|0,0,2]=4 14958 B13R0.147 C#CCCCCOCCOC(=O)NC 7a_100000766709_200011997002 [0,2,0,0,0,0|0,0,2]=4 14959 B13R0.147 C#CCCCCOCCOC(=O)OC 34a_100010262106_100010269958 [0,2,0,0,0,0|0,0,2]=4 14960 B13R0.147 C#CCCCCSCCOC(=O)NC 62a_100010269958_200011997002 [0,2,0,0,0,0|0,0,2]=4 14961 B13R0.147 C#CCCCCSCCOC(=O)NC 62a_200011997002_100010269958 [0,2,0,0,0,0|0,0,2]=4 14962 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 34a_100009815206_100011214924 [0,2,0,0,0,0|1,0,1]=4 14963 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 7a_100009815206_100000210328 [0,2,0,0,0,0|1,0,1]=4 14964 B13R0.147 C#C[C@@H](C)OCCCCCCCCO 34a_100009815206_100000033203 [0,2,0,0,0,0|1,0,1]=4 14965 B13R0.147 C#C[C@@H](C)OCCCCCCCCO 7a_100009815206_100000033203 [0,2,0,0,0,0|1,0,1]=4 14966 B13R0.147 C=C(C#N)COCCCCCCCC 34a_100000210232_100000694840 [0,2,0,0,0,0|1,0,1]=4 14967 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|1,0,1]=4 14968 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|1,0,1]=4 14969 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,2,0,0,0,0|1,0,1]=4 14970 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,2,0,0,0,0|1,0,1]=4 14971 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,2,0,0,0,0|1,0,1]=4 14972 B13R0.147 C=CC(=O)NCCCCOCCCC 34a_100014118770_100000210210 [0,2,0,0,0,0|1,0,1]=4 14973 B13R0.147 C=CC(=O)NCCNCCCCCC 2230a_114873766552_100000210314 [0,2,0,0,0,0|1,0,1]=4 14974 B13R0.147 C=CC(=O)NCCOCCCCCC 34a_100011304386_100000210314 [0,2,0,0,0,0|1,0,1]=4 14975 B13R0.147 C=CC(=O)OCCCCCCNCC 2230a_100015525214_100009894100 [0,2,0,0,0,0|0,0,1]=3 14976 B13R0.147 C=CC(=O)OCCCCCCOCC 34a_100121572206_100009894100 [0,2,0,0,0,0|0,0,1]=3 14977 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100000210202_100009894100 [0,2,0,0,0,0|0,0,1]=3 14978 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100009894100_100000210202 [0,2,0,0,0,0|0,0,1]=3 14979 B13R0.147 C=CC(=O)OCCCCCCSCF 62a_100009894100_100015361967 [0,2,0,0,0,0|1,0,1]=4 14980 B13R0.147 C=CC(=O)OCCCCCCSCF 62a_100015361967_100009894100 [0,2,0,0,0,0|1,0,1]=4 14981 B13R0.147 C=CC(=O)OCCCCCOCCC 7a_200011023508_100000210303 [0,2,0,0,0,0|0,0,1]=3 14982 B13R0.147 C=CC(=O)OCCCCCOCCF 7a_200011023508_100011217306 [0,2,0,0,0,0|1,0,1]=4 14983 B13R0.147 C=CC(=O)OCCCCCOCCO 7a_200011023508_100000211926 [0,2,0,0,0,0|1,0,1]=4 14984 B13R0.147 C=CC(=O)OCCNCCCCCC 2230a_100000210581_100009813456 [0,2,0,0,0,0|0,0,1]=3 14985 B13R0.147 C=CC(=O)OCCNCCCCCO 2230a_100000762737_100009813456 [0,2,0,0,0,0|1,0,1]=4 14986 B13R0.147 C=CC(=O)OCCNCCCCCO 34a_100000762737_100009813456 [0,2,0,0,0,0|1,0,1]=4 14987 B13R0.147 C=CC(=O)OCCNCCCOCC 2230a_100000210961_100009813456 [0,2,0,0,0,0|1,0,1]=4 14988 B13R0.147 C=CC(=O)OCCNCCCOCC 34a_100000210961_100009813456 [0,2,0,0,0,0|1,0,1]=4 14989 B13R0.147 C=CC(=O)OCCNCCOCCC 2230a_100161115042_100009813456 [0,2,0,0,0,0|1,0,1]=4 14990 B13R0.147 C=CC(=O)OCCNCCOCCC 34a_100161115042_100009813456 [0,2,0,0,0,0|1,0,1]=4 14991 B13R0.147 C=CC(=O)OCCNCCSCCC 2230a_100020603323_100009813456 [0,2,0,0,0,0|1,0,1]=4 14992 B13R0.147 C=CC(=O)OCCOCCCCCBr 34a_100000746331_100009813456 [0,2,0,0,0,0|1,0,1]=4 14993 B13R0.147 C=CC(=O)OCCOCCCCCBr 7a_100000746331_100009813456 [0,2,0,0,0,0|1,0,1]=4 14994 B13R0.147 C=CC(=O)OCCOCCCCCC 34a_100000210259_100009813456 [0,2,0,0,0,0|0,0,1]=3 14995 B13R0.147 C=CC(=O)OCCOCCCCCC 7a_100000210259_100009813456 [0,2,0,0,0,0|0,0,1]=3 14996 B13R0.147 C=CC(=O)OCCOCCCCCCl 34a_100000746330_100009813456 [0,2,0,0,0,0|1,0,1]=4 14997 B13R0.147 C=CC(=O)OCCOCCCCCCl 7a_100000746330_100009813456 [0,2,0,0,0,0|1,0,1]=4 14998 B13R0.147 C=CC(=O)OCCOCCCCCI 34a_200012148887_100009813456 [0,2,0,0,0,0|1,0,1]=4 14999 B13R0.147 C=CC(=O)OCCOCCCCCI 7a_200012148887_100009813456 [0,2,0,0,0,0|1,0,1]=4 15000 B13R0.147 C=CC(=O)OCCOCCCCCN 34a_100000762737_100009813456 [0,2,0,0,0,0|1,0,1]=4 15001 B13R0.147 C=CC(=O)OCCOCCCCOC 34a_100000740925_100009813456 [0,2,0,0,0,0|1,0,1]=4 15002 B13R0.147 C=CC(=O)OCCOCCCCSC 34a_100011217163_100009813456 [0,2,0,0,0,0|1,0,1]=4 15003 B13R0.147 C=CC(=O)OCCOCCCCSC 7a_100011217163_100009813456 [0,2,0,0,0,0|1,0,1]=4 15004 B13R0.147 C=CC(=O)OCCOCCCOCC 34a_100000757476_100009813456 [0,2,0,0,0,0|1,0,1]=4 15005 B13R0.147 C=CC(=O)OCCOCCCOCC 7a_100000757476_100009813456 [0,2,0,0,0,0|1,0,1]=4 15006 B13R0.147 C=CC(=O)OCCOCCCSCC 34a_100011216438_100009813456 [0,2,0,0,0,0|1,0,1]=4 15007 B13R0.147 C=CC(=O)OCCOCCCSCC 7a_100011216438_100009813456 [0,2,0,0,0,0|1,0,1]=4 15008 B13R0.147 C=CC(=O)OCCOCCOCCC 34a_100000752267_100009813456 [0,2,0,0,0,0|1,0,1]=4 15009 B13R0.147 C=CC(=O)OCCOCCOCCC 7a_100000752267_100009813456 [0,2,0,0,0,0|1,0,1]=4 15010 B13R0.147 C=CC(=O)OCCOCCSCCC 34a_200000230433_100009813456 [0,2,0,0,0,0|1,0,1]=4 15011 B13R0.147 C=CC(=O)OCCOCCSCCC 7a_200000230433_100009813456 [0,2,0,0,0,0|1,0,1]=4 15012 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100000210314_100009813456 [0,2,0,0,0,0|0,0,1]=3 15013 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100009813456_100000210757 [0,2,0,0,0,0|0,0,1]=3 15014 B13R0.147 C=CC(=O)OCCSCCCCCF 62a_100000729378_100009813456 [0,2,0,0,0,0|1,0,1]=4 15015 B13R0.147 C=CC(=O)OCCSCCCCCF 62a_100009813456_100000729378 [0,2,0,0,0,0|1,0,1]=4 15016 B13R0.147 C=CC(=O)OCCSCCCCCO 62a_100000746330_100009813456 [0,2,0,0,0,0|1,0,1]=4 15017 B13R0.147 C=CC(=O)OCCSCCCCCO 62a_100009813456_100000746330 [0,2,0,0,0,0|1,0,1]=4 15018 B13R0.147 C=CC(=O)OCCSCCCCOC 62a_100000730899_100009813456 [0,2,0,0,0,0|1,0,1]=4 15019 B13R0.147 C=CC(=O)OCCSCCCCOC 62a_100009813456_100000730899 [0,2,0,0,0,0|1,0,1]=4 15020 B13R0.147 C=CC(=O)OCCSCCCOCC 62a_100009813456_100012232248 [0,2,0,0,0,0|1,0,1]=4 15021 B13R0.147 C=CC(=O)OCCSCCCOCC 62a_100012232248_100009813456 [0,2,0,0,0,0|1,0,1]=4 15022 B13R0.147 C=CC(=O)OCCSCCOCCC 62a_100009813456_100011215938 [0,2,0,0,0,0|1,0,1]=4 15023 B13R0.147 C=CC(=O)OCCSCCOCCC 62a_100011215938_100009813456 [0,2,0,0,0,0|1,0,1]=4 15024 B13R0.147 C=CC(=O)OCCSCOCCCC 62a_100009813456_100011995733 [0,2,0,0,0,0|1,0,1]=4 15025 B13R0.147 C=CC(=O)OCCSCOCCCC 62a_100011995733_100009813456 [0,2,0,0,0,0|1,0,1]=4 15026 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 15027 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,2,0,0,0,0|1,0,1]=4 15028 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,2,0,0,0,0|1,0,1]=4 15029 B13R0.147 C=CC(C)OCCCCCCCCO 34a_100000695699_100000033203 [0,2,0,0,0,0|1,0,1]=4 15030 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,1]=4 15031 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,1]=4 15032 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|1,0,1]=4 15033 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|1,0,1]=4 15034 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|1,0,1]=4 15035 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|1,0,1]=4 15036 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|1,0,1]=4 15037 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|1,0,1]=4 15038 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|0,0,2]=4 15039 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|0,0,2]=4 15040 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,2,0,0,0,0|0,0,2]=4 15041 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,2,0,0,0,0|0,0,2]=4 15042 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,2,0,0,0,0|0,0,2]=4 15043 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|0,0,2]=4 15044 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|0,0,2]=4 15045 B13R0.147 C=CCCCCCSCOC(=O)OC 62a_100000700193_100000139417 [0,2,0,0,0,0|0,0,2]=4 15046 B13R0.147 C=CCCCCNCCOC(=O)NC 34a_100000703577_200011997002 [0,2,0,0,0,0|0,0,2]=4 15047 B13R0.147 C=CCCCCOCCOC(=O)CC 7a_200000031056_100011215482 [0,2,0,0,0,0|0,0,2]=4 15048 B13R0.147 C=CCCCCOCCOC(=O)NC 34a_100000766645_200011997002 [0,2,0,0,0,0|0,0,2]=4 15049 B13R0.147 C=CCCCCOCCOC(=O)NC 7a_100000766645_200011997002 [0,2,0,0,0,0|0,0,2]=4 15050 B13R0.147 C=CCCCCOCCOC(=O)OC 34a_100010262106_100011215482 [0,2,0,0,0,0|0,0,2]=4 15051 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_100011215482_200011997002 [0,2,0,0,0,0|0,0,2]=4 15052 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_200011997002_100011215482 [0,2,0,0,0,0|0,0,2]=4 15053 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,2,0,0,0,0|1,0,1]=4 15054 B13R0.147 CC#CCCCCCCCC(=O)CF 1458a_100000066323_100015361967 [0,2,0,0,0,0|1,0,1]=4 15055 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,2,0,0,0,0|1,0,1]=4 15056 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,2,0,0,0,0|1,0,1]=4 15057 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,2,0,0,0,0|1,0,1]=4 15058 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,2,0,0,0,0|1,0,1]=4 15059 B13R0.147 CC(C#N)OCCCCCCCCBr 7a_100009813846_100000703298 [0,2,0,0,0,0|1,0,1]=4 15060 B13R0.147 CC(C#N)OCCCCCCCCCl 7a_100000033203_100000703298 [0,2,0,0,0,0|1,0,1]=4 15061 B13R0.147 CC(C#N)OCCCCCCCCO 34a_100011218135_100000033203 [0,2,0,0,0,0|1,0,1]=4 15062 B13R0.147 CC(CF)OCCCCCCCCO 34a_100016041109_100000033203 [0,2,0,0,0,0|1,0,1]=4 15063 B13R0.147 CC(CF)OCCCCCCCCO 7a_100016041109_100000033203 [0,2,0,0,0,0|1,0,1]=4 15064 B13R0.147 CC(CN)OCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|1,0,1]=4 15065 B13R0.147 CC(CO)OCCCCCCCCBr 34a_100009813846_100012180447 [0,2,0,0,0,0|0,0,2]=4 15066 B13R0.147 CC(CO)OCCCCCCCCBr 7a_100009813846_100012180447 [0,2,0,0,0,0|0,0,2]=4 15067 B13R0.147 CC(CO)OCCCCCCCCCl 34a_100000033203_100012180447 [0,2,0,0,0,0|0,0,2]=4 15068 B13R0.147 CC(CO)OCCCCCCCCCl 7a_100000033203_100012180447 [0,2,0,0,0,0|0,0,2]=4 15069 B13R0.147 CC(CO)OCCCCCCCCN 34a_102515433106_100012180447 [0,2,0,0,0,0|0,0,2]=4 15070 B13R0.147 CC/C=C\CCCCOCC(=O)CC 7a_100016287862_100000747405 [0,2,0,0,0,0|0,0,2]=4 15071 B13R0.147 CC/C=C\CCCCOCC(=O)NC 34a_100016287862_100000183359 [0,2,0,0,0,0|0,0,2]=4 15072 B13R0.147 CC/C=C\CCCCOCC(=O)NC 7a_100016287862_100000183359 [0,2,0,0,0,0|0,0,2]=4 15073 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,2,0,0,0,0|0,0,2]=4 15074 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,2,0,0,0,0|0,0,2]=4 15075 B13R0.147 CC/C=C\CCOCCOC(=O)CC 7a_200000031056_100015370543 [0,2,0,0,0,0|0,0,2]=4 15076 B13R0.147 CC/C=C\CCOCCOC(=O)NC 34a_100016288707_200011997002 [0,2,0,0,0,0|0,0,2]=4 15077 B13R0.147 CC/C=C\CCOCCOC(=O)NC 7a_100016288707_200011997002 [0,2,0,0,0,0|0,0,2]=4 15078 B13R0.147 CC/C=C\CCOCCOC(=O)OC 34a_100010262106_100015370543 [0,2,0,0,0,0|0,0,2]=4 15079 B13R0.147 CC/C=C\CCSCCOC(=O)NC 62a_100015370543_200011997002 [0,2,0,0,0,0|0,0,2]=4 15080 B13R0.147 CC/C=C\CCSCCOC(=O)NC 62a_200011997002_100015370543 [0,2,0,0,0,0|0,0,2]=4 15081 B13R0.147 CC=CCCCOCCOC(=O)NC 34a_100020645299_200011997002 [0,2,0,0,0,0|0,0,2]=4 15082 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [0,2,0,0,0,0|1,0,1]=4 15083 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|1,0,1]=4 15084 B13R0.147 CCC#CCCOCCOC(=O)NC 34a_100000036655_200011997002 [0,2,0,0,0,0|0,0,2]=4 15085 B13R0.147 CCC#CCCOCCOC(=O)NC 7a_100000036655_200011997002 [0,2,0,0,0,0|0,0,2]=4 15086 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,0]=3 15087 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|1,0,0]=3 15088 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,2,0,0,0,0|1,0,0]=3 15089 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|1,0,0]=3 15090 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,2,0,0,0,0|1,0,0]=3 15091 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,2,0,0,0,0|1,0,0]=3 15092 B13R0.147 CCC(=O)COCCCOCCOC 34a_100000725409_100011216529 [0,2,0,0,0,0|2,0,0]=4 15093 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|1,1,0]=4 15094 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|1,1,0]=4 15095 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,2,0,0,0,0|1,1,0]=4 15096 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,2,0,0,0,0|1,1,0]=4 15097 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|1,0,0]=3 15098 B13R0.147 CCC(=O)NCCNCCCCCF 34a_100132302217_100000729378 [0,2,0,0,0,0|2,0,0]=4 15099 B13R0.147 CCC(=O)NCCNCCCCCO 34a_100132302217_100000746330 [0,2,0,0,0,0|2,0,0]=4 15100 B13R0.147 CCC(=O)NCCNCCCCOC 34a_100132302217_100000755781 [0,2,0,0,0,0|2,0,0]=4 15101 B13R0.147 CCC(=O)NCCOCCCCCF 34a_200000158885_100000729378 [0,2,0,0,0,0|2,0,0]=4 15102 B13R0.147 CCC(=O)NCCOCCCCCF 7a_200000158885_100000729378 [0,2,0,0,0,0|2,0,0]=4 15103 B13R0.147 CCC(=O)NCCOCCCCCO 34a_200000158885_100000746330 [0,2,0,0,0,0|2,0,0]=4 15104 B13R0.147 CCC(=O)NCCOCCCCCO 7a_200000158885_100000746330 [0,2,0,0,0,0|2,0,0]=4 15105 B13R0.147 CCC(=O)NCCOCCCCOC 34a_200000158885_100000755781 [0,2,0,0,0,0|2,0,0]=4 15106 B13R0.147 CCC(=O)NCCOCCCCOC 7a_200000158885_100000730899 [0,2,0,0,0,0|2,0,0]=4 15107 B13R0.147 CCC(=O)OCCOCCCCC#N 7a_200000031056_100000211819 [0,2,0,0,0,0|1,0,1]=4 15108 B13R0.147 CCC(=O)OCCOCCCCC=O 7a_200000031056_100000139335 [0,2,0,0,0,0|1,0,1]=4 15109 B13R0.147 CCC(=O)OCCOCCCCCF 7a_200000031056_100000729378 [0,2,0,0,0,0|1,0,0]=3 15110 B13R0.147 CCC(=O)OCCOCCCCCO 7a_200000031056_100000746330 [0,2,0,0,0,0|1,0,0]=3 15111 B13R0.147 CCC(=O)OCCOCCCCOC 7a_200000031056_100000730899 [0,2,0,0,0,0|1,0,0]=3 15112 B13R0.147 CCC(=O)OCCOCCOCCO 7a_200000031056_100011215305 [0,2,0,0,0,0|2,0,0]=4 15113 B13R0.147 CCC(C)OCCCCCCCCBr 34a_100009813846_100011215416 [0,2,0,0,0,0|1,0,1]=4 15114 B13R0.147 CCC(C)OCCCCCCCCBr 7a_100009813846_100000758301 [0,2,0,0,0,0|1,0,1]=4 15115 B13R0.147 CCC(C)OCCCCCCCCCl 34a_100000033203_100011215416 [0,2,0,0,0,0|1,0,1]=4 15116 B13R0.147 CCC(C)OCCCCCCCCCl 7a_100000033203_100000758301 [0,2,0,0,0,0|1,0,1]=4 15117 B13R0.147 CCC(C)OCCCCCCCCN 34a_102515433106_100011215416 [0,2,0,0,0,0|1,0,1]=4 15118 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [0,2,0,0,0,0|1,0,1]=4 15119 B13R0.147 CCC/C=C/COCCOC(=O)NC 34a_100016278788_200011997002 [0,2,0,0,0,0|0,0,2]=4 15120 B13R0.147 CCC/C=C/COCCOC(=O)NC 7a_100016278788_200011997002 [0,2,0,0,0,0|0,0,2]=4 15121 B13R0.147 CCCC#CCOCCOC(=O)NC 34a_100000034806_200011997002 [0,2,0,0,0,0|0,0,2]=4 15122 B13R0.147 CCCC#CCOCCOC(=O)NC 7a_100000034806_200011997002 [0,2,0,0,0,0|0,0,2]=4 15123 B13R0.147 CCCC/C=C\CCOCC(=O)CC 7a_200016286491_100000747405 [0,2,0,0,0,0|0,0,2]=4 15124 B13R0.147 CCCC/C=C\CCOCC(=O)NC 34a_200016286491_100000183359 [0,2,0,0,0,0|0,0,2]=4 15125 B13R0.147 CCCC/C=C\CCOCC(=O)NC 7a_200016286491_100000183359 [0,2,0,0,0,0|0,0,2]=4 15126 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 15127 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,2,0,0,0,0|0,0,2]=4 15128 B13R0.147 CCCCC#CCCOCC(=O)CC 7a_100000037610_100000747405 [0,2,0,0,0,0|0,0,2]=4 15129 B13R0.147 CCCCC#CCCOCC(=O)NC 34a_100000037610_100000183359 [0,2,0,0,0,0|0,0,2]=4 15130 B13R0.147 CCCCC#CCCOCC(=O)NC 7a_100000037610_100000183359 [0,2,0,0,0,0|0,0,2]=4 15131 B13R0.147 CCCCC#CCCOCC(=O)OC 34a_100000037610_100000747449 [0,2,0,0,0,0|0,0,2]=4 15132 B13R0.147 CCCCC#CCCOCC(=O)OC 7a_100000037610_100000747449 [0,2,0,0,0,0|0,0,2]=4 15133 B13R0.147 CCCCC/C=C/COCC(=O)CC 7a_100016258190_100000747405 [0,2,0,0,0,0|0,0,2]=4 15134 B13R0.147 CCCCC/C=C/COCC(=O)NC 34a_100016258190_100000183359 [0,2,0,0,0,0|0,0,2]=4 15135 B13R0.147 CCCCC/C=C/COCC(=O)NC 7a_100016258190_100000183359 [0,2,0,0,0,0|0,0,2]=4 15136 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 15137 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 15138 B13R0.147 CCCCCC#CCOCC(=O)CC 34a_100000725409_100009816472 [0,2,0,0,0,0|0,0,2]=4 15139 B13R0.147 CCCCCC#CCOCC(=O)CC 7a_200000033628_100000747405 [0,2,0,0,0,0|0,0,2]=4 15140 B13R0.147 CCCCCC#CCOCC(=O)NC 34a_100000750040_100009816472 [0,2,0,0,0,0|0,0,2]=4 15141 B13R0.147 CCCCCC#CCOCC(=O)NC 34a_200000033628_100000183359 [0,2,0,0,0,0|0,0,2]=4 15142 B13R0.147 CCCCCC#CCOCC(=O)NC 7a_200000033628_100000183359 [0,2,0,0,0,0|0,0,2]=4 15143 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 15144 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,2,0,0,0,0|0,0,2]=4 15145 B13R0.147 CCCCCCCC=NNC(=O)CC 4a_100000183195_100000210592 [0,2,0,0,0,0|1,0,1]=4 15146 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|1,0,0]=3 15147 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|1,0,0]=3 15148 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|1,0,0]=3 15149 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 15150 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 15151 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|1,0,0]=3 15152 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|1,0,0]=3 15153 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|1,0,0]=3 15154 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|1,0,0]=3 15155 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|1,0,0]=3 15156 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|1,0,0]=3 15157 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|1,0,0]=3 15158 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15159 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15160 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15161 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15162 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|1,0,0]=3 15163 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|1,0,0]=3 15164 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,2,0,0,0,0|1,0,0]=3 15165 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 15166 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 15167 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 15168 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 15169 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,2,0,0,0,0|1,0,0]=3 15170 B13R0.147 CCCCCCCCCOC(C)C#N 34a_100011218135_100011214924 [0,2,0,0,0,0|1,0,1]=4 15171 B13R0.147 CCCCCCCCCOC(C)C#N 7a_100000210712_100000703298 [0,2,0,0,0,0|1,0,1]=4 15172 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [0,2,0,0,0,0|1,0,1]=4 15173 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [0,2,0,0,0,0|1,0,1]=4 15174 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [0,2,0,0,0,0|1,0,1]=4 15175 B13R0.147 CCCCCCCCCOC(C)CF 34a_100016041109_100011214924 [0,2,0,0,0,0|1,0,1]=4 15176 B13R0.147 CCCCCCCCCOC(C)CF 7a_100016041109_100000210328 [0,2,0,0,0,0|1,0,1]=4 15177 B13R0.147 CCCCCCCCCOC(C)CN 34a_100000210904_100011214924 [0,2,0,0,0,0|1,0,1]=4 15178 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 15179 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 15180 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 15181 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,2,0,0,0,0|1,0,0]=3 15182 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 15183 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|1,0,0]=3 15184 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|1,0,0]=3 15185 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|0,0,0]=2 15186 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|0,0,0]=2 15187 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|0,0,0]=2 15188 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|0,0,0]=2 15189 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,2,0,0,0,0|0,0,0]=2 15190 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,2,0,0,0,0|0,0,0]=2 15191 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,2,0,0,0,0|0,0,0]=2 15192 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,2,0,0,0,0|0,0,0]=2 15193 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,2,0,0,0,0|0,0,0]=2 15194 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,2,0,0,0,0|0,0,0]=2 15195 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,2,0,0,0,0|0,0,0]=2 15196 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 15197 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 15198 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [0,2,0,0,0,0|1,0,1]=4 15199 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [0,2,0,0,0,0|1,0,1]=4 15200 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [0,2,0,0,0,0|1,0,1]=4 15201 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|0,0,2]=4 15202 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [0,2,0,0,0,0|1,0,1]=4 15203 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,2,0,0,0,0|0,0,2]=4 15204 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,2,0,0,0,0|0,0,2]=4 15205 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 15206 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 15207 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [0,2,0,0,0,0|1,0,1]=4 15208 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [0,2,0,0,0,0|1,0,1]=4 15209 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [0,2,0,0,0,0|1,0,1]=4 15210 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 15211 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 15212 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,2,0,0,0,0|0,0,2]=4 15213 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,2,0,0,0,0|0,0,2]=4 15214 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 15215 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 15216 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [0,2,0,0,0,0|1,0,1]=4 15217 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|0,1,0]=3 15218 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|0,1,0]=3 15219 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,2,0,0,0,0|0,1,0]=3 15220 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,2,0,0,0,0|0,1,0]=3 15221 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,1,0]=3 15222 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,1,0]=3 15223 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,2,0,0,0,0|1,0,0]=3 15224 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,2,0,0,0,0|1,0,0]=3 15225 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,2,0,0,0,0|1,0,0]=3 15226 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|1,0,0]=3 15227 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,2,0,0,0,0|1,0,0]=3 15228 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,2,0,0,0,0|1,0,0]=3 15229 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,2,0,0,0,0|1,0,0]=3 15230 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|1,0,0]=3 15231 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|1,0,0]=3 15232 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,2,0,0,0,0|1,0,0]=3 15233 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,2,0,0,0,0|1,0,0]=3 15234 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|1,0,0]=3 15235 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|1,0,0]=3 15236 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|0,0,0]=2 15237 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|1,0,1]=4 15238 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,2,0,0,0,0|1,0,0]=3 15239 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 15240 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 15241 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|1,0,0]=3 15242 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,2,0,0,0,0|1,0,0]=3 15243 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [0,2,0,0,0,0|1,0,0]=3 15244 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|1,0,1]=4 15245 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|1,0,1]=4 15246 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 15247 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 15248 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,2,0,0,0,0|2,0,0]=4 15249 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|1,0,0]=3 15250 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|1,0,0]=3 15251 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,2,0,0,0,0|1,0,0]=3 15252 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,2,0,0,0,0|1,0,0]=3 15253 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|1,0,0]=3 15254 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,2,0,0,0,0|0,0,0]=2 15255 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [0,2,0,0,0,0|0,0,0]=2 15256 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [0,2,0,0,0,0|0,0,0]=2 15257 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|0,0,0]=2 15258 B13R0.147 CCCCCCOCCOC(C)C#N 7a_100000691444_100000703298 [0,2,0,0,0,0|1,0,1]=4 15259 B13R0.147 CCCCCCOCCOC(C)CC 34a_100000691444_100011215416 [0,2,0,0,0,0|1,0,1]=4 15260 B13R0.147 CCCCCCOCCOC(C)CC 7a_100000691444_100000758301 [0,2,0,0,0,0|1,0,1]=4 15261 B13R0.147 CCCCCCOCCOC(C)CO 34a_100000691444_100012180447 [0,2,0,0,0,0|0,0,2]=4 15262 B13R0.147 CCCCCCOCCOC(C)CO 7a_100000691444_100012180447 [0,2,0,0,0,0|0,0,2]=4 15263 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|1,0,1]=4 15264 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|1,0,1]=4 15265 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,2,0,0,0,0|1,0,0]=3 15266 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,2,0,0,0,0|1,0,0]=3 15267 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|1,0,0]=3 15268 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|1,0,0]=3 15269 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [0,2,0,0,0,0|0,0,0]=2 15270 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [0,2,0,0,0,0|0,0,0]=2 15271 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|1,0,0]=3 15272 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [0,2,0,0,0,0|1,0,0]=3 15273 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|1,0,0]=3 15274 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|1,0,0]=3 15275 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|1,0,0]=3 15276 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|1,0,0]=3 15277 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|1,0,0]=3 15278 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|1,0,0]=3 15279 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [0,2,0,0,0,0|1,0,0]=3 15280 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [0,2,0,0,0,0|1,0,0]=3 15281 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [0,2,0,0,0,0|1,0,0]=3 15282 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|1,0,0]=3 15283 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|1,0,0]=3 15284 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|1,0,0]=3 15285 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|1,0,0]=3 15286 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|1,0,0]=3 15287 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|1,0,0]=3 15288 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|1,0,0]=3 15289 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|1,0,0]=3 15290 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|1,0,0]=3 15291 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|1,0,0]=3 15292 B13R0.147 CCCCNCCCCOC(C)CC 34a_200011216965_100011215416 [0,2,0,0,0,0|1,0,1]=4 15293 B13R0.147 CCCCNCCCCOC(C)CO 34a_200011216965_100012180447 [0,2,0,0,0,0|0,0,2]=4 15294 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|1,0,0]=3 15295 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|1,0,0]=3 15296 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|1,0,0]=3 15297 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|1,0,0]=3 15298 B13R0.147 CCCCOCCCCOC(C)C#N 7a_200000760531_100000703298 [0,2,0,0,0,0|1,0,1]=4 15299 B13R0.147 CCCCOCCCCOC(C)CC 34a_200000760531_100011215416 [0,2,0,0,0,0|1,0,1]=4 15300 B13R0.147 CCCCOCCCCOC(C)CC 7a_200000760531_100000758301 [0,2,0,0,0,0|1,0,1]=4 15301 B13R0.147 CCCCOCCCCOC(C)CO 34a_200000760531_100012180447 [0,2,0,0,0,0|0,0,2]=4 15302 B13R0.147 CCCCOCCCCOC(C)CO 7a_200000760531_100012180447 [0,2,0,0,0,0|0,0,2]=4 15303 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [0,2,0,0,0,0|2,0,0]=4 15304 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [0,2,0,0,0,0|2,0,0]=4 15305 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|2,0,0]=4 15306 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|2,0,0]=4 15307 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [0,2,0,0,0,0|1,0,0]=3 15308 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [0,2,0,0,0,0|1,0,0]=3 15309 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [0,2,0,0,0,0|1,0,0]=3 15310 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|1,0,0]=3 15311 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|1,0,0]=3 15312 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [0,2,0,0,0,0|2,0,0]=4 15313 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [0,2,0,0,0,0|2,0,0]=4 15314 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,2,0,0,0,0|2,0,0]=4 15315 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,2,0,0,0,0|2,0,0]=4 15316 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,2,0,0,0,0|2,0,0]=4 15317 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|2,0,0]=4 15318 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|2,0,0]=4 15319 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [0,2,0,0,0,0|2,0,0]=4 15320 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [0,2,0,0,0,0|2,0,0]=4 15321 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|2,0,0]=4 15322 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|2,0,0]=4 15323 B13R0.147 CCCCOCCSCOC(=O)OC 62a_100000743108_100000139417 [0,2,0,0,0,0|1,0,0]=3 15324 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [0,2,0,0,0,0|2,0,0]=4 15325 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [0,2,0,0,0,0|2,0,0]=4 15326 B13R0.147 CCCCOCNCCNC(=O)CC 34a_100132302217_100011995733 [0,2,0,0,0,0|2,0,0]=4 15327 B13R0.147 CCCCOCNCCNC(=O)NC 34a_100015205895_100011995733 [0,2,0,0,0,0|2,0,0]=4 15328 B13R0.147 CCCCOCOCCNC(=O)CC 34a_200000158885_100011995733 [0,2,0,0,0,0|2,0,0]=4 15329 B13R0.147 CCCCOCOCCNC(=O)OC 34a_100000757965_100011995733 [0,2,0,0,0,0|2,0,0]=4 15330 B13R0.147 CCCCOCOCCOC(=O)OC 34a_100010262106_100011995733 [0,2,0,0,0,0|1,0,0]=3 15331 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [0,2,0,0,0,0|2,0,0]=4 15332 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [0,2,0,0,0,0|2,0,0]=4 15333 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|2,0,0]=4 15334 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|2,0,0]=4 15335 B13R0.147 CCCCOCSCCOC(=O)NC 62a_100011995733_200011997002 [0,2,0,0,0,0|1,0,0]=3 15336 B13R0.147 CCCCOCSCCOC(=O)NC 62a_200011997002_100011995733 [0,2,0,0,0,0|1,0,0]=3 15337 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|1,0,0]=3 15338 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|1,0,0]=3 15339 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [0,2,0,0,0,0|2,0,0]=4 15340 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|2,0,0]=4 15341 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [0,2,0,0,0,0|2,0,0]=4 15342 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [0,2,0,0,0,0|2,0,0]=4 15343 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|2,0,0]=4 15344 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|2,0,0]=4 15345 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|1,0,0]=3 15346 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|1,0,0]=3 15347 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|1,0,0]=3 15348 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [0,2,0,0,0,0|2,0,0]=4 15349 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [0,2,0,0,0,0|2,0,0]=4 15350 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|2,0,0]=4 15351 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|2,0,0]=4 15352 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [0,2,0,0,0,0|2,0,0]=4 15353 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [0,2,0,0,0,0|2,0,0]=4 15354 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [0,2,0,0,0,0|2,0,0]=4 15355 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [0,2,0,0,0,0|2,0,0]=4 15356 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|2,0,0]=4 15357 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|2,0,0]=4 15358 B13R0.147 CCCOCCNCCNC(=O)CC 34a_100132302217_100011215938 [0,2,0,0,0,0|2,0,0]=4 15359 B13R0.147 CCCOCCNCCNC(=O)NC 34a_100015205895_100011215938 [0,2,0,0,0,0|2,0,0]=4 15360 B13R0.147 CCCOCCNCCOC(=O)NC 34a_100161115042_200011997002 [0,2,0,0,0,0|1,0,0]=3 15361 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [0,2,0,0,0,0|2,0,0]=4 15362 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [0,2,0,0,0,0|2,0,0]=4 15363 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|2,0,0]=4 15364 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|2,0,0]=4 15365 B13R0.147 CCCOCCOCCNC(=O)CC 11a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 15366 B13R0.147 CCCOCCOCCNC(=O)CC 1626a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 15367 B13R0.147 CCCOCCOCCNC(=O)CC 240690a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 15368 B13R0.147 CCCOCCOCCNC(=O)CC 34a_200000158885_100011215938 [0,2,0,0,0,0|2,0,0]=4 15369 B13R0.147 CCCOCCOCCNC(=O)CC 7a_200000158885_100011215938 [0,2,0,0,0,0|2,0,0]=4 15370 B13R0.147 CCCOCCOCCNC(=O)CO 240690a_200011904461_100000210174 [0,2,0,0,0,0|2,0,0]=4 15371 B13R0.147 CCCOCCOCCNC(=O)NC 2708a_100102657272_200011904461 [0,2,0,0,0,0|2,0,0]=4 15372 B13R0.147 CCCOCCOCCNC(=O)NC 2708a_200011904461_106832991635 [0,2,0,0,0,0|2,0,0]=4 15373 B13R0.147 CCCOCCOCCNC(=O)NC 273464a_100102657272_200011904461 [0,2,0,0,0,0|2,0,0]=4 15374 B13R0.147 CCCOCCOCCNC(=O)NC 273464a_200011904461_100102657272 [0,2,0,0,0,0|2,0,0]=4 15375 B13R0.147 CCCOCCOCCNC(=O)NC 512a_200011904461_100102657272 [0,2,0,0,0,0|2,0,0]=4 15376 B13R0.147 CCCOCCOCCNC(=O)OC 34a_100000757965_100011215938 [0,2,0,0,0,0|2,0,0]=4 15377 B13R0.147 CCCOCCOCCOC(=O)CC 7a_200000031056_100011215938 [0,2,0,0,0,0|1,0,0]=3 15378 B13R0.147 CCCOCCOCCOC(=O)NC 34a_100000752267_200011997002 [0,2,0,0,0,0|1,0,0]=3 15379 B13R0.147 CCCOCCOCCOC(=O)NC 7a_100000752267_200011997002 [0,2,0,0,0,0|1,0,0]=3 15380 B13R0.147 CCCOCCOCCOC(=O)OC 34a_100010262106_100011215938 [0,2,0,0,0,0|1,0,0]=3 15381 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [0,2,0,0,0,0|2,0,0]=4 15382 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [0,2,0,0,0,0|2,0,0]=4 15383 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|2,0,0]=4 15384 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|2,0,0]=4 15385 B13R0.147 CCCOCCSCCOC(=O)NC 62a_100011215938_200011997002 [0,2,0,0,0,0|1,0,0]=3 15386 B13R0.147 CCCOCCSCCOC(=O)NC 62a_200011997002_100011215938 [0,2,0,0,0,0|1,0,0]=3 15387 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|1,0,0]=3 15388 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|1,0,0]=3 15389 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [0,2,0,0,0,0|2,0,0]=4 15390 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|2,0,0]=4 15391 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [0,2,0,0,0,0|2,0,0]=4 15392 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [0,2,0,0,0,0|2,0,0]=4 15393 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|2,0,0]=4 15394 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|2,0,0]=4 15395 B13R0.147 CCCSCCOCCOC(=O)NC 34a_200000230433_200011997002 [0,2,0,0,0,0|1,0,0]=3 15396 B13R0.147 CCCSCCOCCOC(=O)NC 7a_200000230433_200011997002 [0,2,0,0,0,0|1,0,0]=3 15397 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|1,0,0]=3 15398 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|1,0,0]=3 15399 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|1,0,0]=3 15400 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|1,0,0]=3 15401 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [0,2,0,0,0,0|2,0,0]=4 15402 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [0,2,0,0,0,0|2,0,0]=4 15403 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [0,2,0,0,0,0|2,0,0]=4 15404 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [0,2,0,0,0,0|2,0,0]=4 15405 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|2,0,0]=4 15406 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|2,0,0]=4 15407 B13R0.147 CCOCCCNCCNC(=O)CC 34a_100132302217_100012232248 [0,2,0,0,0,0|2,0,0]=4 15408 B13R0.147 CCOCCCNCCNC(=O)NC 34a_100015205895_100012232248 [0,2,0,0,0,0|2,0,0]=4 15409 B13R0.147 CCOCCCNCCOC(=O)NC 34a_100000210961_200011997002 [0,2,0,0,0,0|1,0,0]=3 15410 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [0,2,0,0,0,0|2,0,0]=4 15411 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [0,2,0,0,0,0|2,0,0]=4 15412 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|2,0,0]=4 15413 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|2,0,0]=4 15414 B13R0.147 CCOCCCOCCNC(=O)CC 34a_200000158885_100012232248 [0,2,0,0,0,0|2,0,0]=4 15415 B13R0.147 CCOCCCOCCNC(=O)CC 7a_200000158885_100012232248 [0,2,0,0,0,0|2,0,0]=4 15416 B13R0.147 CCOCCCOCCNC(=O)OC 34a_100000757965_100012232248 [0,2,0,0,0,0|2,0,0]=4 15417 B13R0.147 CCOCCCOCCOC(=O)CC 7a_200000031056_100012232248 [0,2,0,0,0,0|1,0,0]=3 15418 B13R0.147 CCOCCCOCCOC(=O)NC 34a_100000757476_200011997002 [0,2,0,0,0,0|1,0,0]=3 15419 B13R0.147 CCOCCCOCCOC(=O)NC 7a_100000757476_200011997002 [0,2,0,0,0,0|1,0,0]=3 15420 B13R0.147 CCOCCCOCCOC(=O)OC 34a_100010262106_100012232248 [0,2,0,0,0,0|1,0,0]=3 15421 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [0,2,0,0,0,0|2,0,0]=4 15422 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [0,2,0,0,0,0|2,0,0]=4 15423 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|2,0,0]=4 15424 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|2,0,0]=4 15425 B13R0.147 CCOCCCSCCOC(=O)NC 62a_100012232248_200011997002 [0,2,0,0,0,0|1,0,0]=3 15426 B13R0.147 CCOCCCSCCOC(=O)NC 62a_200011997002_100012232248 [0,2,0,0,0,0|1,0,0]=3 15427 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,2,0,0,0,0|2,0,0]=4 15428 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,2,0,0,0,0|2,0,0]=4 15429 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,2,0,0,0,0|2,0,0]=4 15430 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,2,0,0,0,0|2,0,0]=4 15431 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|2,0,0]=4 15432 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|2,0,0]=4 15433 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|2,0,0]=4 15434 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|2,0,0]=4 15435 B13R0.147 CCOCCOCCOCC(=O)CC 34a_100000725409_100011211534 [0,2,0,0,0,0|2,0,0]=4 15436 B13R0.147 CCOCCOCCOCC(=O)CC 7a_100000210240_100000747405 [0,2,0,0,0,0|2,0,0]=4 15437 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000210240_100000183359 [0,2,0,0,0,0|2,0,0]=4 15438 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000750040_100011211534 [0,2,0,0,0,0|2,0,0]=4 15439 B13R0.147 CCOCCOCCOCC(=O)NC 7a_100000210240_100000183359 [0,2,0,0,0,0|2,0,0]=4 15440 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,2,0,0,0,0|2,0,0]=4 15441 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,2,0,0,0,0|2,0,0]=4 15442 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,2,0,0,0,0|2,0,0]=4 15443 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,2,0,0,0,0|2,0,0]=4 15444 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,2,0,0,0,0|2,0,0]=4 15445 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,2,0,0,0,0|2,0,0]=4 15446 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,2,0,0,0,0|2,0,0]=4 15447 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,2,0,0,0,0|2,0,0]=4 15448 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,2,0,0,0,0|2,0,0]=4 15449 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,2,0,0,0,0|2,0,0]=4 15450 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,2,0,0,0,0|2,0,0]=4 15451 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,2,0,0,0,0|2,0,0]=4 15452 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|1,0,0]=3 15453 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|1,0,0]=3 15454 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [0,2,0,0,0,0|2,0,0]=4 15455 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [0,2,0,0,0,0|2,0,0]=4 15456 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|2,0,0]=4 15457 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|2,0,0]=4 15458 B13R0.147 CCSCCCOCCOC(=O)NC 34a_100011216438_200011997002 [0,2,0,0,0,0|1,0,0]=3 15459 B13R0.147 CCSCCCOCCOC(=O)NC 7a_100011216438_200011997002 [0,2,0,0,0,0|1,0,0]=3 15460 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,2,0,0,0,0|2,0,0]=4 15461 B13R0.147 CCSCCNCCOCC(=O)OC 2230a_100000106463_100000090808 [0,2,0,0,0,0|2,0,0]=4 15462 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,2,0,0,0,0|2,0,0]=4 15463 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,2,0,0,0,0|2,0,0]=4 15464 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,2,0,0,0,0|2,0,0]=4 15465 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,2,0,0,0,0|2,0,0]=4 15466 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,2,0,0,0,0|2,0,0]=4 15467 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,2,0,0,0,0|2,0,0]=4 15468 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,2,0,0,0,0|2,0,0]=4 15469 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,2,0,0,0,0|2,0,0]=4 15470 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000090808_100000757381 [0,2,0,0,0,0|2,0,0]=4 15471 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000757381_100000090808 [0,2,0,0,0,0|2,0,0]=4 15472 B13R0.147 CNC(=O)C=CCCCCCCCO 1626a_100102657272_100016988705 [0,2,0,0,0,0|1,0,1]=4 15473 B13R0.147 CNC(=O)C=CCCCCCCCO 240690a_100102657272_100016988705 [0,2,0,0,0,0|1,0,1]=4 15474 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,0]=3 15475 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 15476 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 15477 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|1,0,0]=3 15478 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,2,0,0,0,0|2,0,0]=4 15479 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,2,0,0,0,0|2,0,0]=4 15480 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|2,0,0]=4 15481 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 15482 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|2,0,0]=4 15483 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 15484 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,2,0,0,0,0|2,0,0]=4 15485 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,2,0,0,0,0|2,0,0]=4 15486 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,2,0,0,0,0|2,0,0]=4 15487 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,2,0,0,0,0|2,0,0]=4 15488 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 15489 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 15490 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,2,0,0,0,0|2,0,0]=4 15491 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,2,0,0,0,0|2,0,0]=4 15492 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 15493 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,2,0,0,0,0|2,0,0]=4 15494 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,2,0,0,0,0|2,0,0]=4 15495 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,2,0,0,0,0|2,0,0]=4 15496 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,2,0,0,0,0|2,0,0]=4 15497 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,2,0,0,0,0|2,0,0]=4 15498 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|2,0,0]=4 15499 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 15500 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,2,0,0,0,0|2,0,0]=4 15501 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,2,0,0,0,0|2,0,0]=4 15502 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,2,0,0,0,0|2,0,0]=4 15503 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,2,0,0,0,0|2,0,0]=4 15504 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|2,0,0]=4 15505 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|2,0,0]=4 15506 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|2,0,0]=4 15507 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|2,0,0]=4 15508 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,2,0,0,0,0|2,0,0]=4 15509 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,2,0,0,0,0|2,0,0]=4 15510 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,2,0,0,0,0|2,0,0]=4 15511 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,2,0,0,0,0|2,0,0]=4 15512 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,2,0,0,0,0|2,0,0]=4 15513 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,2,0,0,0,0|2,0,0]=4 15514 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,2,0,0,0,0|2,0,0]=4 15515 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,2,0,0,0,0|2,0,0]=4 15516 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,2,0,0,0,0|2,0,0]=4 15517 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,2,0,0,0,0|2,0,0]=4 15518 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|2,0,0]=4 15519 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,2,0,0,0,0|2,0,0]=4 15520 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,2,0,0,0,0|2,0,0]=4 15521 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|2,0,0]=4 15522 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|2,0,0]=4 15523 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|2,0,0]=4 15524 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 15525 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 15526 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,2,0,0,0,0|2,0,0]=4 15527 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 15528 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 15529 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 15530 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|1,0,0]=3 15531 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,2,0,0,0,0|1,0,0]=3 15532 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,2,0,0,0,0|1,0,0]=3 15533 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,2,0,0,0,0|1,0,0]=3 15534 B13R0.147 CNC(=O)COCCCOCCCN 34a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 15535 B13R0.147 CNC(=O)COCCCOCCOC 34a_100000750040_100011216529 [0,2,0,0,0,0|2,0,0]=4 15536 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|1,1,0]=4 15537 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|1,1,0]=4 15538 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,2,0,0,0,0|1,1,0]=4 15539 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,2,0,0,0,0|1,1,0]=4 15540 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|1,0,0]=3 15541 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|1,0,0]=3 15542 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|1,0,0]=3 15543 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|1,0,0]=3 15544 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|1,0,0]=3 15545 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|1,0,0]=3 15546 B13R0.147 CNC(=O)NCCNCCCCCF 34a_100015205895_100000729378 [0,2,0,0,0,0|2,0,0]=4 15547 B13R0.147 CNC(=O)NCCNCCCCCO 34a_100015205895_100000746330 [0,2,0,0,0,0|2,0,0]=4 15548 B13R0.147 CNC(=O)NCCNCCCCOC 34a_100015205895_100000755781 [0,2,0,0,0,0|2,0,0]=4 15549 B13R0.147 CNC(=O)OCCNCCCCCO 34a_100000762737_200011997002 [0,2,0,0,0,0|1,0,0]=3 15550 B13R0.147 CNC(=O)OCCNCCOCCO 34a_100000211614_200011997002 [0,2,0,0,0,0|2,0,0]=4 15551 B13R0.147 CNC(=O)OCCOCCCCCBr 34a_100000746331_200011997002 [0,2,0,0,0,0|1,0,0]=3 15552 B13R0.147 CNC(=O)OCCOCCCCCBr 7a_100000746331_200011997002 [0,2,0,0,0,0|1,0,0]=3 15553 B13R0.147 CNC(=O)OCCOCCCCCCl 34a_100000746330_200011997002 [0,2,0,0,0,0|1,0,0]=3 15554 B13R0.147 CNC(=O)OCCOCCCCCCl 7a_100000746330_200011997002 [0,2,0,0,0,0|1,0,0]=3 15555 B13R0.147 CNC(=O)OCCOCCCCCI 34a_200012148887_200011997002 [0,2,0,0,0,0|1,0,0]=3 15556 B13R0.147 CNC(=O)OCCOCCCCCI 7a_200012148887_200011997002 [0,2,0,0,0,0|1,0,0]=3 15557 B13R0.147 CNC(=O)OCCOCCCCCN 34a_100000762737_200011997002 [0,2,0,0,0,0|1,0,0]=3 15558 B13R0.147 CNC(=O)OCCOCCCCOC 34a_100000740925_200011997002 [0,2,0,0,0,0|1,0,0]=3 15559 B13R0.147 CNC(=O)OCCOCCCCSC 34a_100011217163_200011997002 [0,2,0,0,0,0|1,0,0]=3 15560 B13R0.147 CNC(=O)OCCOCCCCSC 7a_100011217163_200011997002 [0,2,0,0,0,0|1,0,0]=3 15561 B13R0.147 CNC(=O)OCCOCCOCCBr 34a_100000692535_200011997002 [0,2,0,0,0,0|2,0,0]=4 15562 B13R0.147 CNC(=O)OCCOCCOCCBr 7a_100000692535_200011997002 [0,2,0,0,0,0|2,0,0]=4 15563 B13R0.147 CNC(=O)OCCOCCOCCCl 34a_100011215305_200011997002 [0,2,0,0,0,0|2,0,0]=4 15564 B13R0.147 CNC(=O)OCCOCCOCCCl 7a_100011215305_200011997002 [0,2,0,0,0,0|2,0,0]=4 15565 B13R0.147 CNC(=O)OCCOCCOCCF 34a_200015357709_200011997002 [0,2,0,0,0,0|2,0,0]=4 15566 B13R0.147 CNC(=O)OCCOCCOCCF 7a_200015357709_200011997002 [0,2,0,0,0,0|2,0,0]=4 15567 B13R0.147 CNC(=O)OCCOCCOCCI 34a_100012149058_200011997002 [0,2,0,0,0,0|2,0,0]=4 15568 B13R0.147 CNC(=O)OCCOCCOCCI 7a_100012149058_200011997002 [0,2,0,0,0,0|2,0,0]=4 15569 B13R0.147 CNC(=O)OCCOCCOCCN 34a_100000211614_200011997002 [0,2,0,0,0,0|2,0,0]=4 15570 B13R0.147 CNC(=O)OCCSCCCCC#N 62a_100011219923_200011997002 [0,2,0,0,0,0|1,0,1]=4 15571 B13R0.147 CNC(=O)OCCSCCCCC#N 62a_200011997002_100000211819 [0,2,0,0,0,0|1,0,1]=4 15572 B13R0.147 CNC(=O)OCCSCCCCC=O 62a_100000139335_200011997002 [0,2,0,0,0,0|1,0,1]=4 15573 B13R0.147 CNC(=O)OCCSCCCCC=O 62a_200011997002_100000139335 [0,2,0,0,0,0|1,0,1]=4 15574 B13R0.147 CNC(=O)OCCSCCCCCF 62a_100000729378_200011997002 [0,2,0,0,0,0|1,0,0]=3 15575 B13R0.147 CNC(=O)OCCSCCCCCF 62a_200011997002_100000729378 [0,2,0,0,0,0|1,0,0]=3 15576 B13R0.147 CNC(=O)OCCSCCCCCO 62a_100000746330_200011997002 [0,2,0,0,0,0|1,0,0]=3 15577 B13R0.147 CNC(=O)OCCSCCCCCO 62a_200011997002_100000746330 [0,2,0,0,0,0|1,0,0]=3 15578 B13R0.147 CNC(=O)OCCSCCCCOC 62a_100000730899_200011997002 [0,2,0,0,0,0|1,0,0]=3 15579 B13R0.147 CNC(=O)OCCSCCCCOC 62a_200011997002_100000730899 [0,2,0,0,0,0|1,0,0]=3 15580 B13R0.147 CNC(=O)OCCSCCOCCO 62a_100011215305_200011997002 [0,2,0,0,0,0|2,0,0]=4 15581 B13R0.147 CNC(=O)OCCSCCOCCO 62a_200011997002_100011215305 [0,2,0,0,0,0|2,0,0]=4 15582 B13R0.147 CNC(=O)OCCSCOCCOC 62a_100000231047_200011997002 [0,2,0,0,0,0|2,0,0]=4 15583 B13R0.147 CNC(=O)OCCSCOCCOC 62a_200011997002_100000231047 [0,2,0,0,0,0|2,0,0]=4 15584 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|1,0,0]=3 15585 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|1,0,0]=3 15586 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|1,0,0]=3 15587 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,2,0,0,0,0|2,0,0]=4 15588 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|2,0,0]=4 15589 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|2,0,0]=4 15590 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,2,0,0,0,0|2,0,0]=4 15591 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|1,0,0]=3 15592 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|1,0,0]=3 15593 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|1,0,0]=3 15594 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|1,0,0]=3 15595 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|1,0,0]=3 15596 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|1,0,0]=3 15597 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|2,0,0]=4 15598 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|2,0,0]=4 15599 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|2,0,0]=4 15600 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|2,0,0]=4 15601 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|2,0,0]=4 15602 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|2,0,0]=4 15603 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|2,0,0]=4 15604 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|2,0,0]=4 15605 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|2,0,0]=4 15606 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|2,0,0]=4 15607 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|2,0,0]=4 15608 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|2,0,0]=4 15609 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|2,0,0]=4 15610 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|2,0,0]=4 15611 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|2,0,0]=4 15612 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|2,0,0]=4 15613 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|2,0,0]=4 15614 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|2,0,0]=4 15615 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|2,0,0]=4 15616 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|2,0,0]=4 15617 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|2,0,0]=4 15618 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|2,0,0]=4 15619 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|2,0,0]=4 15620 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|2,0,0]=4 15621 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|2,0,0]=4 15622 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|2,0,0]=4 15623 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|2,0,0]=4 15624 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|2,0,0]=4 15625 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|2,0,0]=4 15626 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|2,0,0]=4 15627 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|2,0,0]=4 15628 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|2,0,0]=4 15629 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|2,0,0]=4 15630 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|2,0,0]=4 15631 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|2,0,0]=4 15632 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|2,0,0]=4 15633 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|2,0,0]=4 15634 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|2,0,0]=4 15635 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|2,0,0]=4 15636 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|2,0,0]=4 15637 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|2,0,0]=4 15638 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|2,0,0]=4 15639 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|2,0,0]=4 15640 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|2,0,0]=4 15641 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|2,0,0]=4 15642 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|2,0,0]=4 15643 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|2,0,0]=4 15644 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|2,0,0]=4 15645 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|2,0,0]=4 15646 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|2,0,0]=4 15647 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|2,0,0]=4 15648 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|2,0,0]=4 15649 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|2,0,0]=4 15650 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|2,0,0]=4 15651 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|2,0,0]=4 15652 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|2,0,0]=4 15653 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|2,0,0]=4 15654 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|2,0,0]=4 15655 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|2,0,0]=4 15656 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|2,0,0]=4 15657 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|2,0,0]=4 15658 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|2,0,0]=4 15659 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|2,0,0]=4 15660 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|2,0,0]=4 15661 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|2,0,0]=4 15662 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|2,0,0]=4 15663 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|2,0,0]=4 15664 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|2,0,0]=4 15665 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|2,0,0]=4 15666 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|2,0,0]=4 15667 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|2,0,0]=4 15668 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|2,0,0]=4 15669 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|2,0,0]=4 15670 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|2,0,0]=4 15671 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|2,0,0]=4 15672 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|2,0,0]=4 15673 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|2,0,0]=4 15674 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|2,0,0]=4 15675 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|2,0,0]=4 15676 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|2,0,0]=4 15677 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|2,0,0]=4 15678 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|2,0,0]=4 15679 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|2,0,0]=4 15680 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|2,0,0]=4 15681 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|2,0,0]=4 15682 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|2,0,0]=4 15683 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|2,0,0]=4 15684 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|2,0,0]=4 15685 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|2,0,0]=4 15686 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|2,0,0]=4 15687 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|2,0,0]=4 15688 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 15689 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|1,0,0]=3 15690 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|1,0,0]=3 15691 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,2,0,0,0,0|2,0,0]=4 15692 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 15693 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 15694 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,2,0,0,0,0|2,0,0]=4 15695 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,2,0,0,0,0|2,0,0]=4 15696 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 15697 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 15698 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,2,0,0,0,0|2,0,0]=4 15699 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,2,0,0,0,0|2,0,0]=4 15700 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,2,0,0,0,0|2,0,0]=4 15701 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,2,0,0,0,0|2,0,0]=4 15702 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,2,0,0,0,0|2,0,0]=4 15703 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,2,0,0,0,0|2,0,0]=4 15704 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,2,0,0,0,0|2,0,0]=4 15705 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,2,0,0,0,0|2,0,0]=4 15706 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,2,0,0,0,0|2,0,0]=4 15707 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,2,0,0,0,0|2,0,0]=4 15708 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|1,1,0]=4 15709 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|1,1,0]=4 15710 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,2,0,0,0,0|2,0,0]=4 15711 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,2,0,0,0,0|2,0,0]=4 15712 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,2,0,0,0,0|1,0,0]=3 15713 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,2,0,0,0,0|1,0,0]=3 15714 B13R0.147 COC(=O)OCCOCCOCCO 34a_100010262106_100000692535 [0,2,0,0,0,0|2,0,0]=4 15715 B13R0.147 COC(=O)OCSCCCCCC#N 62a_100009813376_100000139417 [0,2,0,0,0,0|1,0,1]=4 15716 B13R0.147 COC(=O)OCSCCCCCC=O 62a_100000139337_100000139417 [0,2,0,0,0,0|1,0,1]=4 15717 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,2,0,0,0,0|1,0,0]=3 15718 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,2,0,0,0,0|1,0,0]=3 15719 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|1,0,0]=3 15720 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|1,0,0]=3 15721 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|1,0,0]=3 15722 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|1,0,0]=3 15723 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|1,0,0]=3 15724 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|1,1,0]=4 15725 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|1,1,0]=4 15726 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|2,0,0]=4 15727 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|2,0,0]=4 15728 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|2,0,0]=4 15729 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,2,0,0,0,0|2,0,0]=4 15730 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,2,0,0,0,0|1,0,0]=3 15731 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|2,0,0]=4 15732 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|2,0,0]=4 15733 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|2,0,0]=4 15734 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,2,0,0,0,0|2,0,0]=4 15735 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|2,0,0]=4 15736 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|2,0,0]=4 15737 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|2,0,0]=4 15738 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,2,0,0,0,0|2,0,0]=4 15739 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|2,0,0]=4 15740 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|2,0,0]=4 15741 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,2,0,0,0,0|2,0,0]=4 15742 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,2,0,0,0,0|2,0,0]=4 15743 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|2,0,0]=4 15744 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|2,0,0]=4 15745 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|2,0,0]=4 15746 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|2,0,0]=4 15747 B13R0.147 COCCOCCSCOC(=O)OC 62a_100000695917_100000139417 [0,2,0,0,0,0|2,0,0]=4 15748 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|2,0,0]=4 15749 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|2,0,0]=4 15750 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|2,0,0]=4 15751 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|2,0,0]=4 15752 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,0]=3 15753 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|1,0,0]=3 15754 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,0]=3 15755 B13R0.150 C#CCCCCCCOC(C)C(=O)C 34a_100000212229_100012276617 [0,2,0,0,0,0|0,0,2]=4 15756 B13R0.150 C#CCCCCCCOC(C)C(=O)C 7a_100011217361_100000179758 [0,2,0,0,0,0|0,0,2]=4 15757 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 11a_100000229939_100009813364 [0,2,0,0,0,0|1,0,1]=4 15758 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 1626a_100000229939_100009813364 [0,2,0,0,0,0|1,0,1]=4 15759 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,2,0,0,0,0|1,0,0]=3 15760 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [0,2,0,0,0,0|2,0,0]=4 15761 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [0,2,0,0,0,0|1,0,0]=3 15762 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [0,2,0,0,0,0|1,0,0]=3 15763 B13R0.150 C=C(C)C(=O)NCCCNCCCC 2230a_100016987756_100000210211 [0,2,0,0,0,0|2,0,0]=4 15764 B13R0.150 C=C(C)C(=O)NCCCOCCCC 1626a_200000211371_100000185857 [0,2,0,0,0,0|2,0,0]=4 15765 B13R0.150 C=C(C)C(=O)NCCNCCCCC 2230a_100102636416_100000210326 [0,2,0,0,0,0|2,0,0]=4 15766 B13R0.150 C=C(C)C(=O)OCCCCCCNC 2230a_106832991635_200010402237 [0,2,0,0,0,0|1,0,0]=3 15767 B13R0.150 C=C(C)C(=O)OCCCCCCNC 34a_100102657272_200010402237 [0,2,0,0,0,0|1,0,0]=3 15768 B13R0.150 C=C(C)C(=O)OCCCCCCNC 7a_106832991635_200010402237 [0,2,0,0,0,0|1,0,0]=3 15769 B13R0.150 C=C(C)C(=O)OCCCCCCOC 34a_100138415774_200010402237 [0,2,0,0,0,0|1,0,0]=3 15770 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200000210301_200010402237 [0,2,0,0,0,0|1,0,0]=3 15771 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200010402237_200000210301 [0,2,0,0,0,0|1,0,0]=3 15772 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200010402237_200025704644 [0,2,0,0,0,0|1,0,0]=3 15773 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200025704644_200010402237 [0,2,0,0,0,0|1,0,0]=3 15774 B13R0.150 C=C(C)C(=O)OCCCCOCCC 7a_100000065474_100000210303 [0,2,0,0,0,0|1,0,0]=3 15775 B13R0.150 C=C(C)C(=O)OCCCCOCCF 7a_100000065474_100011217306 [0,2,0,0,0,0|2,0,0]=4 15776 B13R0.150 C=C(C)C(=O)OCCCCOCCO 7a_100000065474_100000211926 [0,2,0,0,0,0|2,0,0]=4 15777 B13R0.150 C=C(C)C(=O)OCCCOCCCC 7a_100000032641_100000210211 [0,2,0,0,0,0|1,0,0]=3 15778 B13R0.150 C=C(C)C(=O)OCCCOCCCF 7a_100000032641_100011934791 [0,2,0,0,0,0|2,0,0]=4 15779 B13R0.150 C=C(C)C(=O)OCCCOCCCO 7a_100000032641_100011215043 [0,2,0,0,0,0|2,0,0]=4 15780 B13R0.150 C=C(C)C(=O)OCCCOCCOC 7a_100000032641_100000233755 [0,2,0,0,0,0|2,0,0]=4 15781 B13R0.150 C=C(C)C(=O)OCCCOCCSC 7a_100000032641_100000212216 [0,2,0,0,0,0|2,0,0]=4 15782 B13R0.150 C=C(C)C(=O)OCCNCCCCC 2230a_100000209983_100009816335 [0,2,0,0,0,0|1,0,0]=3 15783 B13R0.150 C=C(C)C(=O)OCCNCCCCO 2230a_100000750430_100009816335 [0,2,0,0,0,0|2,0,0]=4 15784 B13R0.150 C=C(C)C(=O)OCCNCCCCO 34a_100000750430_100009816335 [0,2,0,0,0,0|2,0,0]=4 15785 B13R0.150 C=C(C)C(=O)OCCNCCCOC 34a_100150723488_100009816335 [0,2,0,0,0,0|2,0,0]=4 15786 B13R0.150 C=C(C)C(=O)OCCNCCCSC 2230a_100000749238_100009816335 [0,2,0,0,0,0|2,0,0]=4 15787 B13R0.150 C=C(C)C(=O)OCCNCCOCC 2230a_102516460346_100009816335 [0,2,0,0,0,0|2,0,0]=4 15788 B13R0.150 C=C(C)C(=O)OCCNCCOCC 34a_102516460346_100009816335 [0,2,0,0,0,0|2,0,0]=4 15789 B13R0.150 C=C(C)C(=O)OCCNCCSCC 2230a_100000106463_100009816335 [0,2,0,0,0,0|2,0,0]=4 15790 B13R0.150 C=C(C)C(=O)OCCOCCCCBr 34a_100011216708_100009816335 [0,2,0,0,0,0|2,0,0]=4 15791 B13R0.150 C=C(C)C(=O)OCCOCCCCC 34a_100000210253_100009816335 [0,2,0,0,0,0|1,0,0]=3 15792 B13R0.150 C=C(C)C(=O)OCCOCCCCC 7a_100000210253_100009816335 [0,2,0,0,0,0|1,0,0]=3 15793 B13R0.150 C=C(C)C(=O)OCCOCCCCCl 34a_100000210776_100009816335 [0,2,0,0,0,0|2,0,0]=4 15794 B13R0.150 C=C(C)C(=O)OCCOCCCCCl 7a_100000210776_100009816335 [0,2,0,0,0,0|2,0,0]=4 15795 B13R0.150 C=C(C)C(=O)OCCOCCCCF 34a_100011995726_100009816335 [0,2,0,0,0,0|2,0,0]=4 15796 B13R0.150 C=C(C)C(=O)OCCOCCCCF 7a_100011995726_100009816335 [0,2,0,0,0,0|2,0,0]=4 15797 B13R0.150 C=C(C)C(=O)OCCOCCCCI 34a_200012148704_100009816335 [0,2,0,0,0,0|2,0,0]=4 15798 B13R0.150 C=C(C)C(=O)OCCOCCCCN 34a_100000750430_100009816335 [0,2,0,0,0,0|2,0,0]=4 15799 B13R0.150 C=C(C)C(=O)OCCOCCCNC 34a_100000213112_100009816335 [0,2,0,0,0,0|2,0,0]=4 15800 B13R0.150 C=C(C)C(=O)OCCOCCCOC 34a_100000740835_100009816335 [0,2,0,0,0,0|2,0,0]=4 15801 B13R0.150 C=C(C)C(=O)OCCOCCCSC 34a_100000690336_100009816335 [0,2,0,0,0,0|2,0,0]=4 15802 B13R0.150 C=C(C)C(=O)OCCOCCCSC 7a_100000690336_100009816335 [0,2,0,0,0,0|2,0,0]=4 15803 B13R0.150 C=C(C)C(=O)OCCOCCOCC 34a_100000210136_100009816335 [0,2,0,0,0,0|2,0,0]=4 15804 B13R0.150 C=C(C)C(=O)OCCOCCOCC 7a_100000210136_100009816335 [0,2,0,0,0,0|2,0,0]=4 15805 B13R0.150 C=C(C)C(=O)OCCOCCSCC 34a_100000212035_100009816335 [0,2,0,0,0,0|2,0,0]=4 15806 B13R0.150 C=C(C)C(=O)OCCOCCSCC 7a_100000212035_100009816335 [0,2,0,0,0,0|2,0,0]=4 15807 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100000210326_100009816335 [0,2,0,0,0,0|1,0,0]=3 15808 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100009816335_100000210326 [0,2,0,0,0,0|1,0,0]=3 15809 B13R0.150 C=C(C)C(=O)OCCSCCCCF 62a_100000729493_100009816335 [0,2,0,0,0,0|2,0,0]=4 15810 B13R0.150 C=C(C)C(=O)OCCSCCCCF 62a_100009816335_100000729493 [0,2,0,0,0,0|2,0,0]=4 15811 B13R0.150 C=C(C)C(=O)OCCSCCCCO 62a_100000210776_100009816335 [0,2,0,0,0,0|2,0,0]=4 15812 B13R0.150 C=C(C)C(=O)OCCSCCCCO 62a_100009816335_100000210776 [0,2,0,0,0,0|2,0,0]=4 15813 B13R0.150 C=C(C)C(=O)OCCSCCCOC 62a_100000709357_100009816335 [0,2,0,0,0,0|2,0,0]=4 15814 B13R0.150 C=C(C)C(=O)OCCSCCCOC 62a_100009816335_100000709357 [0,2,0,0,0,0|2,0,0]=4 15815 B13R0.150 C=C(C)C(=O)OCCSCCOCC 62a_100000210147_100009816335 [0,2,0,0,0,0|2,0,0]=4 15816 B13R0.150 C=C(C)C(=O)OCCSCCOCC 62a_100009816335_100011215890 [0,2,0,0,0,0|2,0,0]=4 15817 B13R0.150 C=C(C)C(=O)OCCSCCSCC 62a_100000757381_100009816335 [0,2,0,0,0,0|2,0,0]=4 15818 B13R0.150 C=C(C)C(=O)OCCSCCSCC 62a_100009816335_100000757381 [0,2,0,0,0,0|2,0,0]=4 15819 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [0,2,0,0,0,0|2,0,0]=4 15820 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 11a_100000229939_100000039160 [0,2,0,0,0,0|1,0,1]=4 15821 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 1626a_100000229939_100000039160 [0,2,0,0,0,0|1,0,1]=4 15822 B13R0.150 C=C(F)C(=O)NCCCCCCCC 11a_100000229939_100000036797 [0,2,0,0,0,0|1,0,1]=4 15823 B13R0.150 C=C(F)C(=O)NCCCCCCCC 1626a_100000229939_100000036797 [0,2,0,0,0,0|1,0,1]=4 15824 B13R0.150 C=CCCCCCCOC(C)C(=O)C 34a_100000212229_100011215473 [0,2,0,0,0,0|0,0,2]=4 15825 B13R0.150 C=CCCCCCCOC(C)C(=O)C 7a_200011216477_100000179758 [0,2,0,0,0,0|0,0,2]=4 15826 B13R0.150 CC(=O)C(=O)CNCCCCCCO 34a_100000686447_100011261029 [0,2,0,0,0,0|2,0,0]=4 15827 B13R0.150 CC(=O)C(=O)COCCCCCCBr 34a_100011215345_100011261029 [0,2,0,0,0,0|2,0,0]=4 15828 B13R0.150 CC(=O)C(=O)COCCCCCCCl 34a_100000766143_100011261029 [0,2,0,0,0,0|2,0,0]=4 15829 B13R0.150 CC(=O)C(=O)COCCCCCCF 34a_100000732779_100011261029 [0,2,0,0,0,0|2,0,0]=4 15830 B13R0.150 CC(=O)C(=O)COCCCCCCN 34a_100000686447_100011261029 [0,2,0,0,0,0|2,0,0]=4 15831 B13R0.150 CC(=O)C(=O)CSCCCCCCF 62a_100011261029_100015922095 [0,2,0,0,0,0|2,0,0]=4 15832 B13R0.150 CC(=O)C(=O)CSCCCCCCF 62a_100015922095_100011261029 [0,2,0,0,0,0|2,0,0]=4 15833 B13R0.150 CC(=O)C(=O)CSCCCCCCO 62a_100000766143_100011261029 [0,2,0,0,0,0|2,0,0]=4 15834 B13R0.150 CC(=O)C(=O)CSCCCCCCO 62a_100011261029_100000766143 [0,2,0,0,0,0|2,0,0]=4 15835 B13R0.150 CC(=O)C(C)COCCCCCCF 34a_100000032740_100015922095 [0,2,0,0,0,0|2,0,0]=4 15836 B13R0.150 CC(=O)C(C)COCCCCCCF 7a_100000032740_100015922095 [0,2,0,0,0,0|2,0,0]=4 15837 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,2,0,0,0,0|2,0,0]=4 15838 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,2,0,0,0,0|2,0,0]=4 15839 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,2,0,0,0,0|2,0,0]=4 15840 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [0,2,0,0,0,0|1,0,0]=3 15841 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,2,0,0,0,0|1,0,0]=3 15842 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,2,0,0,0,0|1,1,0]=4 15843 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,2,0,0,0,0|1,1,0]=4 15844 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [0,2,0,0,0,0|2,0,0]=4 15845 B13R0.150 CC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210198 [0,2,0,0,0,0|2,0,0]=4 15846 B13R0.150 CC(C)C(=O)OCSCCCCCF 62a_100000139345_100000729378 [0,2,0,0,0,0|2,0,0]=4 15847 B13R0.150 CC(C)C(=O)OCSCCCCCF 62a_100000729378_100000139345 [0,2,0,0,0,0|2,0,0]=4 15848 B13R0.150 CC(C)C(=O)OCSCCCCCO 62a_100000139345_100000746330 [0,2,0,0,0,0|2,0,0]=4 15849 B13R0.150 CC(C)C(=O)OCSCCCCCO 62a_100000746330_100000139345 [0,2,0,0,0,0|2,0,0]=4 15850 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [0,2,0,0,0,0|2,0,0]=4 15851 B13R0.150 CC(F)C(=O)NCCCCCCCO 240690a_100011996573_100000062450 [0,2,0,0,0,0|2,0,0]=4 15852 B13R0.150 CC(OCCCCCCCBr)C(=O)N 34a_100000760002_100000702099 [0,2,0,0,0,0|1,0,1]=4 15853 B13R0.150 CC(OCCCCCCCBr)C(=O)N 7a_100000760002_100000702099 [0,2,0,0,0,0|1,0,1]=4 15854 B13R0.150 CC(OCCCCCCCN)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|1,0,1]=4 15855 B13R0.150 CC/C=C\CCCCOC(C)C(=O)C 7a_100016287862_100000179758 [0,2,0,0,0,0|0,0,2]=4 15856 B13R0.150 CCCC/C=C\CCOC(C)C(=O)C 7a_200016286491_100000179758 [0,2,0,0,0,0|0,0,2]=4 15857 B13R0.150 CCCCC#CCCOC(C)C(=O)C 7a_100000037610_100000179758 [0,2,0,0,0,0|0,0,2]=4 15858 B13R0.150 CCCCC/C=C/COC(C)C(=O)C 7a_100016258190_100000179758 [0,2,0,0,0,0|0,0,2]=4 15859 B13R0.150 CCCCCC#CCOC(C)C(=O)C 34a_100000212229_100009816472 [0,2,0,0,0,0|0,0,2]=4 15860 B13R0.150 CCCCCC#CCOC(C)C(=O)C 7a_200000033628_100000179758 [0,2,0,0,0,0|0,0,2]=4 15861 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [0,2,0,0,0,0|1,0,1]=4 15862 B13R0.150 CCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015332781 [0,2,0,0,0,0|1,0,1]=4 15863 B13R0.150 CCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015332781 [0,2,0,0,0,0|1,0,1]=4 15864 B13R0.150 CCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015332781 [0,2,0,0,0,0|1,0,1]=4 15865 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [0,2,0,0,0,0|1,0,0]=3 15866 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [0,2,0,0,0,0|1,0,0]=3 15867 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [0,2,0,0,0,0|1,0,0]=3 15868 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|1,0,0]=3 15869 B13R0.150 CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 15870 B13R0.150 CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 15871 B13R0.150 CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 15872 B13R0.150 CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 15873 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|1,0,0]=3 15874 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|1,0,0]=3 15875 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 15876 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 15877 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 15878 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,2,0,0,0,0|1,0,0]=3 15879 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,2,0,0,0,0|1,0,1]=4 15880 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 15881 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 15882 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 15883 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 15884 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 15885 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 15886 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 15887 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 15888 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 15889 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 15890 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 15891 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [0,2,0,0,0,0|1,0,0]=3 15892 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|1,0,0]=3 15893 B13R0.150 CCCCCCCCNC(=O)N(C)C 2708a_100000229939_100102631434 [0,2,0,0,0,0|1,0,0]=3 15894 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,0]=3 15895 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 15896 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 15897 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,2,0,0,0,0|1,0,0]=3 15898 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,2,0,0,0,0|1,0,1]=4 15899 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,2,0,0,0,0|1,0,1]=4 15900 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,2,0,0,0,0|2,0,0]=4 15901 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,2,0,0,0,0|2,0,0]=4 15902 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,2,0,0,0,0|2,0,0]=4 15903 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|1,0,1]=4 15904 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,2,0,0,0,0|1,0,1]=4 15905 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,2,0,0,0,0|1,0,1]=4 15906 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,2,0,0,0,0|0,0,0]=2 15907 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,2,0,0,0,0|0,0,0]=2 15908 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,2,0,0,0,0|0,0,1]=3 15909 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,2,0,0,0,0|0,0,1]=3 15910 B13R0.150 CCCCCCCCOC(C)C(C)C 7a_100000748068_100000210759 [0,2,0,0,0,0|1,0,1]=4 15911 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 15912 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 15913 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,2,0,0,0,0|1,0,0]=3 15914 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,2,0,0,0,0|0,0,1]=3 15915 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,2,0,0,0,0|0,0,1]=3 15916 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,2,0,0,0,0|0,0,1]=3 15917 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,2,0,0,0,0|0,1,0]=3 15918 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,2,0,0,0,0|0,1,0]=3 15919 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,2,0,0,0,0|0,1,1]=4 15920 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,2,0,0,0,0|0,1,1]=4 15921 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,2,0,0,0,0|1,1,0]=4 15922 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,2,0,0,0,0|1,1,0]=4 15923 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,2,0,0,0,0|1,1,0]=4 15924 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,2,0,0,0,0|1,1,0]=4 15925 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [0,2,0,0,0,0|2,0,0]=4 15926 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100000229938_100000185267 [0,2,0,0,0,0|2,0,0]=4 15927 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210681 [0,2,0,0,0,0|2,0,0]=4 15928 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|2,0,0]=4 15929 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|2,0,0]=4 15930 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,2,0,0,0,0|1,0,0]=3 15931 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [0,2,0,0,0,0|2,0,0]=4 15932 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [0,2,0,0,0,0|2,0,0]=4 15933 B13R0.150 CCCCCCCOCC(=O)N(C)C 34a_100000210272_100000692301 [0,2,0,0,0,0|2,0,0]=4 15934 B13R0.150 CCCCCCCOCC(=O)N(C)C 7a_100000210272_100000692301 [0,2,0,0,0,0|2,0,0]=4 15935 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,2,0,0,0,0|1,0,0]=3 15936 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,2,0,0,0,0|1,0,0]=3 15937 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,2,0,0,0,0|2,0,0]=4 15938 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,2,0,0,0,0|1,0,0]=3 15939 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,2,0,0,0,0|1,0,0]=3 15940 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [0,2,0,0,0,0|2,0,0]=4 15941 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [0,2,0,0,0,0|2,0,0]=4 15942 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000210614_100000692301 [0,2,0,0,0,0|2,0,0]=4 15943 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210316 [0,2,0,0,0,0|2,0,0]=4 15944 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000210581_100000737620 [0,2,0,0,0,0|2,0,0]=4 15945 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210314 [0,2,0,0,0,0|2,0,0]=4 15946 B13R0.150 CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210314 [0,2,0,0,0,0|2,0,0]=4 15947 B13R0.150 CCCCCCOCCC(=O)N(C)C 7a_100000210259_100000737620 [0,2,0,0,0,0|2,0,0]=4 15948 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000210314_100000737620 [0,2,0,0,0,0|2,0,0]=4 15949 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210757 [0,2,0,0,0,0|2,0,0]=4 15950 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210757 [0,2,0,0,0,0|1,0,0]=3 15951 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000210314_100000139345 [0,2,0,0,0,0|1,0,0]=3 15952 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_100000209983_100000737642 [0,2,0,0,0,0|2,0,0]=4 15953 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210326 [0,2,0,0,0,0|2,0,0]=4 15954 B13R0.150 CCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210326 [0,2,0,0,0,0|2,0,0]=4 15955 B13R0.150 CCCCCNCCNC(=O)C(C)C 34a_100000752568_100000718602 [0,2,0,0,0,0|2,0,0]=4 15956 B13R0.150 CCCCCNCCOC(C)C(=O)N 34a_100000224656_100000702099 [0,2,0,0,0,0|1,0,1]=4 15957 B13R0.150 CCCCCNCCOC(F)C(=O)N 34a_100000224656_100009813875 [0,2,0,0,0,0|2,0,0]=4 15958 B13R0.150 CCCCCNCCOC(F)C(=O)[O-] 34a_100000224656_100020610796 [0,2,0,0,0,0|2,0,0]=4 15959 B13R0.150 CCCCCOCCCC(=O)N(C)C 7a_100000210253_100000737642 [0,2,0,0,0,0|2,0,0]=4 15960 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [0,2,0,0,0,0|1,0,0]=3 15961 B13R0.150 CCCCCOCCOC(C)C(=O)N 34a_100011215259_100000702099 [0,2,0,0,0,0|1,0,1]=4 15962 B13R0.150 CCCCCOCCOC(C)C(=O)N 7a_100011215259_100000702099 [0,2,0,0,0,0|1,0,1]=4 15963 B13R0.150 CCCCCOCCOC(F)C(=O)N 34a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 15964 B13R0.150 CCCCCOCCOC(F)C(=O)N 7a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 15965 B13R0.150 CCCCCOCCOC(F)C(=O)[O-] 34a_100011215259_100020610796 [0,2,0,0,0,0|2,0,0]=4 15966 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000210326_100000737642 [0,2,0,0,0,0|2,0,0]=4 15967 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210326 [0,2,0,0,0,0|2,0,0]=4 15968 B13R0.150 CCCCNCCCCC(=O)N(C)C 7a_106832991798_100000752486 [0,2,0,0,0,0|2,0,0]=4 15969 B13R0.150 CCCCOCCCCC(=O)N(C)C 34a_100000210227_100000752486 [0,2,0,0,0,0|2,0,0]=4 15970 B13R0.150 CCCCOCCCCC(=O)N(C)C 7a_100000210227_100000752486 [0,2,0,0,0,0|2,0,0]=4 15971 B13R0.150 CCCCOCCCNC(=O)C(C)C 1626a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 15972 B13R0.150 CCCCOCCCNC(=O)C(C)C 240690a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 15973 B13R0.150 CCCCOCCCNC(=O)C(C)C 527a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 15974 B13R0.150 CCCCOCCCNC(=O)C(C)F 1626a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 15975 B13R0.150 CCCCOCCCNC(=O)C(C)F 240690a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 15976 B13R0.150 CCCCOCCCNC(=O)C(C)F 527a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 15977 B13R0.150 CCCCOCCCNC(=O)C(F)F 1626a_200000211371_100000210393 [0,2,0,0,0,0|2,0,0]=4 15978 B13R0.150 CCCCOCCCNC(=O)C(F)F 240690a_200000211371_100000210393 [0,2,0,0,0,0|2,0,0]=4 15979 B13R0.150 CCCCOCCCNC(=O)C(F)F 527a_200000211371_100000210393 [0,2,0,0,0,0|2,0,0]=4 15980 B13R0.150 CCCCOCCCNC(=O)C(O)O 240690a_200000211371_100000233687 [0,2,0,0,0,0|2,0,0]=4 15981 B13R0.150 CCCCOCCCNC(=O)N(C)C 2708a_200000211371_100102631434 [0,2,0,0,0,0|2,0,0]=4 15982 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [0,2,0,0,0,0|2,0,0]=4 15983 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 15984 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 15985 B13R0.150 CCCCOCCCNC(C)C(=O)C 2230a_200000211371_100009814033 [0,2,0,0,0,0|2,0,0]=4 15986 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [0,2,0,0,0,0|1,0,0]=3 15987 B13R0.150 CCCCOCCCOC(C)C(=O)N 34a_200011215613_100000702099 [0,2,0,0,0,0|1,0,1]=4 15988 B13R0.150 CCCCOCCCOC(C)C(=O)N 7a_200011215613_100000702099 [0,2,0,0,0,0|1,0,1]=4 15989 B13R0.150 CCCCOCCCOC(F)C(=O)N 34a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 15990 B13R0.150 CCCCOCCCOC(F)C(=O)N 7a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 15991 B13R0.150 CCCCOCCCOC(F)C(=O)[O-] 34a_200011215613_100020610796 [0,2,0,0,0,0|2,0,0]=4 15992 B13R0.150 CCCCOCCOCC(=O)C(=O)C 34a_100000210238_100011261029 [0,2,0,0,0,0|2,0,0]=4 15993 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 15994 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 15995 B13R0.150 CCCCOCCSCC(=O)C(=O)C 62a_100000743108_100011261029 [0,2,0,0,0,0|2,0,0]=4 15996 B13R0.150 CCCCOCCSCC(=O)C(=O)C 62a_100011261029_100000743108 [0,2,0,0,0,0|2,0,0]=4 15997 B13R0.150 CCCCOCSCOC(=O)C(C)C 62a_100000139345_100011995733 [0,2,0,0,0,0|2,0,0]=4 15998 B13R0.150 CCCCOCSCOC(=O)C(C)C 62a_100011995733_100000139345 [0,2,0,0,0,0|2,0,0]=4 15999 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000210211_100000752486 [0,2,0,0,0,0|2,0,0]=4 16000 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210210 [0,2,0,0,0,0|2,0,0]=4 16001 B13R0.150 CCCCSCCOCC(=O)C(=O)C 34a_200000230436_100011261029 [0,2,0,0,0,0|2,0,0]=4 16002 B13R0.150 CCCOCCCNCC(=O)C(=O)C 34a_100011217757_100011261029 [0,2,0,0,0,0|2,0,0]=4 16003 B13R0.150 CCCOCCSCOC(=O)C(C)C 62a_100000139345_100011215938 [0,2,0,0,0,0|2,0,0]=4 16004 B13R0.150 CCCOCCSCOC(=O)C(C)C 62a_100011215938_100000139345 [0,2,0,0,0,0|2,0,0]=4 16005 B13R0.150 CCOCCCSCOC(=O)C(C)C 62a_100000139345_100012232248 [0,2,0,0,0,0|2,0,0]=4 16006 B13R0.150 CCOCCCSCOC(=O)C(C)C 62a_100012232248_100000139345 [0,2,0,0,0,0|2,0,0]=4 16007 B13R0.150 CCOCCOCCOC(C)C(=O)C 34a_100000212229_100011211534 [0,2,0,0,0,0|2,0,0]=4 16008 B13R0.150 CCOCCOCCOC(C)C(=O)C 7a_100000210240_100000179758 [0,2,0,0,0,0|2,0,0]=4 16009 B13R0.150 CN(C)C(=O)CCCCCCCCO 240690a_100102631434_100000015970 [0,2,0,0,0,0|2,0,0]=4 16010 B13R0.150 CN(C)C(=O)NCCCCCCCO 2708a_100011996573_100102631434 [0,2,0,0,0,0|2,0,0]=4 16011 B13R0.150 CNCCCCCOCC(=O)C(=O)C 34a_100000722520_100011261029 [0,2,0,0,0,0|2,0,0]=4 16012 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [0,2,0,0,0,0|1,0,0]=3 16013 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [0,2,0,0,0,0|1,0,0]=3 16014 B13R0.150 COCCCCCCOC(C)C(=O)N 34a_200012092642_100000702099 [0,2,0,0,0,0|1,0,1]=4 16015 B13R0.150 COCCCCCCOC(C)C(=O)N 7a_200012092642_100000702099 [0,2,0,0,0,0|1,0,1]=4 16016 B13R0.150 COCCCCCCOC(F)C(=O)N 34a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 16017 B13R0.150 COCCCCCCOC(F)C(=O)N 7a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 16018 B13R0.150 COCCCCCCOC(F)C(=O)[O-] 34a_200012092642_100020610796 [0,2,0,0,0,0|2,0,0]=4 16019 B13R0.150 COCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011998445 [0,2,0,0,0,0|1,0,1]=4 16020 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011998445 [0,2,0,0,0,0|1,0,1]=4 16021 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011998445 [0,2,0,0,0,0|1,0,1]=4 16022 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100009814033_100011998445 [0,2,0,0,0,0|1,1,0]=4 16023 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100011998445_100009814033 [0,2,0,0,0,0|1,1,0]=4 16024 B13R0.150 COCCCCCNCC(=O)C(=O)C 34a_100000747528_100011261029 [0,2,0,0,0,0|2,0,0]=4 16025 B13R0.150 COCCCCSCOC(=O)C(C)C 62a_100000139345_100000730899 [0,2,0,0,0,0|2,0,0]=4 16026 B13R0.150 COCCCCSCOC(=O)C(C)C 62a_100000730899_100000139345 [0,2,0,0,0,0|2,0,0]=4 16027 B13R0.150 COCCOCCCOC(C)C(=O)C 34a_100000212229_100011216529 [0,2,0,0,0,0|2,0,0]=4 16028 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|2,0,0]=4 16029 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [0,2,0,0,0,0|2,0,0]=4 16030 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 34a_100000731257_100000760002 [0,2,0,0,0,0|1,0,1]=4 16031 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 7a_100000731257_100000760002 [0,2,0,0,0,0|1,0,1]=4 16032 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|2,0,0]=4 16033 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [0,2,0,0,0,0|2,0,0]=4 16034 B13R0.150 C[C@H](OCCCCCCCO)C(=O)[O-] 7a_217856618621_100000760002 [0,2,0,0,0,0|1,0,1]=4 16035 B13R0.150 NC(=O)C(F)OCCCCCCCBr 34a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 16036 B13R0.150 NC(=O)C(F)OCCCCCCCBr 7a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 16037 B13R0.150 NCCCCCCCOC(F)C(=O)N 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 16038 B13R0.150 NCCCCCCCOC(F)C(=O)[O-] 34a_100011996573_100020610796 [0,2,0,0,0,0|2,0,0]=4 16039 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|2,0,0]=4 16040 B13R0.150 O=C(NCCCCCCCO)C(F)F 240690a_100011996573_100000210393 [0,2,0,0,0,0|2,0,0]=4 16041 B13R0.150 O=C(NCCCCCCCO)C(O)O 240690a_100011996573_100000233687 [0,2,0,0,0,0|2,0,0]=4 16042 B13R0.150 O=C([O-])C(F)OCCCCCCCBr 34a_100000760002_100020610796 [0,2,0,0,0,0|2,0,0]=4 16043 B13R0.154 C#CCCCCCC(=O)COC(=O)C 1458a_100000183556_100012094781 [0,2,0,0,0,0|0,0,2]=4 16044 B13R0.154 C#CCCCNCC(O)COC(=O)C 34a_100000718082_200000139349 [0,2,0,0,0,0|0,0,2]=4 16045 B13R0.154 C#CCCCOCC(O)COC(=O)C 34a_100000215630_200000139349 [0,2,0,0,0,0|0,0,2]=4 16046 B13R0.154 C#CCCCOCC(O)COC(=O)C 7a_100000215630_200000139349 [0,2,0,0,0,0|0,0,2]=4 16047 B13R0.154 C#CCCCSCC(O)COC(=O)C 62a_100011215417_200000139349 [0,2,0,0,0,0|0,0,2]=4 16048 B13R0.154 C#CCCCSCC(O)COC(=O)C 62a_200000139349_100011215417 [0,2,0,0,0,0|0,0,2]=4 16049 B13R0.154 C/C=C/CCOCC(O)COC(=O)C 34a_100016278192_200000139349 [0,2,0,0,0,0|0,0,2]=4 16050 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|2,0,0]=4 16051 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|2,0,0]=4 16052 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [0,2,0,0,0,0|2,0,0]=4 16053 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 16054 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 16055 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|1,0,0]=3 16056 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|1,0,0]=3 16057 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|1,0,0]=3 16058 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [0,2,0,0,0,0|1,1,0]=4 16059 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [0,2,0,0,0,0|1,1,0]=4 16060 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,2,0,0,0,0|1,0,1]=4 16061 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,2,0,0,0,0|1,0,1]=4 16062 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,2,0,0,0,0|1,0,1]=4 16063 B13R0.154 C=CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000700193 [0,2,0,0,0,0|0,0,2]=4 16064 B13R0.154 C=CCCCCNC(C)COC(=O)C 270004a_100000703577_100000000629 [0,2,0,0,0,0|0,0,2]=4 16065 B13R0.154 C=CCCCNCC(O)COC(=O)C 34a_100000700776_200000139349 [0,2,0,0,0,0|0,0,2]=4 16066 B13R0.154 C=CCCCOCC(O)COC(=O)C 34a_100000758997_200000139349 [0,2,0,0,0,0|0,0,2]=4 16067 B13R0.154 C=CCCCOCC(O)COC(=O)C 7a_100000758997_200000139349 [0,2,0,0,0,0|0,0,2]=4 16068 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_100011713584_200000139349 [0,2,0,0,0,0|0,0,2]=4 16069 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_200000139349_100000757094 [0,2,0,0,0,0|0,0,2]=4 16070 B13R0.154 CC#CCCOCC(O)COC(=O)C 34a_100000750427_200000139349 [0,2,0,0,0,0|0,0,2]=4 16071 B13R0.154 CC(=O)NCC(=O)CCCCCCF 1458a_100000194580_100015922095 [0,2,0,0,0,0|1,0,1]=4 16072 B13R0.154 CC(=O)NCC(=O)CCCCCCO 1458a_100000194580_100000766143 [0,2,0,0,0,0|1,0,1]=4 16073 B13R0.154 CC(=O)OCC(=O)CCCCCC#N 1458a_100000183556_100009813376 [0,2,0,0,0,0|0,0,2]=4 16074 B13R0.154 CC(=O)OCC(=O)CCCCCCF 1458a_100000183556_100015922095 [0,2,0,0,0,0|0,0,1]=3 16075 B13R0.154 CC(=O)OCC(=O)CCCCCCO 1458a_100000183556_100000766143 [0,2,0,0,0,0|0,0,1]=3 16076 B13R0.154 CC(=O)OCC(=O)CNCCCCO 34a_100000750430_100000036994 [0,2,0,0,0,0|1,0,1]=4 16077 B13R0.154 CC(=O)OCC(=O)COCCCCBr 34a_100011216708_100000036994 [0,2,0,0,0,0|1,0,1]=4 16078 B13R0.154 CC(=O)OCC(=O)COCCCCCl 34a_100000210776_100000036994 [0,2,0,0,0,0|1,0,1]=4 16079 B13R0.154 CC(=O)OCC(=O)COCCCCF 34a_100011995726_100000036994 [0,2,0,0,0,0|1,0,1]=4 16080 B13R0.154 CC(=O)OCC(=O)COCCCCI 34a_200012148704_100000036994 [0,2,0,0,0,0|1,0,1]=4 16081 B13R0.154 CC(=O)OCC(=O)COCCCCN 34a_100000750430_100000036994 [0,2,0,0,0,0|1,0,1]=4 16082 B13R0.154 CC(=O)OCC(=O)CSCCCCF 62a_100000036994_100000729493 [0,2,0,0,0,0|1,0,1]=4 16083 B13R0.154 CC(=O)OCC(=O)CSCCCCF 62a_100000729493_100000036994 [0,2,0,0,0,0|1,0,1]=4 16084 B13R0.154 CC(=O)OCC(=O)CSCCCCO 62a_100000036994_100000210776 [0,2,0,0,0,0|1,0,1]=4 16085 B13R0.154 CC(=O)OCC(=O)CSCCCCO 62a_100000210776_100000036994 [0,2,0,0,0,0|1,0,1]=4 16086 B13R0.154 CC(=O)OCC(=O)NCCCCCO 240690a_100000762737_100000183556 [0,2,0,0,0,0|1,0,1]=4 16087 B13R0.154 CC(=O)OCC(C)NCCCCC#N 270004a_100000751965_100000000629 [0,2,0,0,0,0|1,0,1]=4 16088 B13R0.154 CC(=O)OCC(C)NCCCCCO 270004a_100000762737_100000000629 [0,2,0,0,0,0|1,0,0]=3 16089 B13R0.154 CC(=O)OCC(C)NCCOCCO 270004a_100000211614_100000000629 [0,2,0,0,0,0|2,0,0]=4 16090 B13R0.154 CC(=O)OCC(C)NCCSCCO 270004a_100011219999_100000000629 [0,2,0,0,0,0|2,0,0]=4 16091 B13R0.154 CC(=O)OCC(O)CNCCCCO 34a_100000750430_200000139349 [0,2,0,0,0,0|1,0,0]=3 16092 B13R0.154 CC(=O)OCC(O)COCCCCBr 34a_100011216708_200000139349 [0,2,0,0,0,0|1,0,0]=3 16093 B13R0.154 CC(=O)OCC(O)COCCCCCl 34a_100000210776_200000139349 [0,2,0,0,0,0|1,0,0]=3 16094 B13R0.154 CC(=O)OCC(O)COCCCCCl 7a_100000210776_200000139349 [0,2,0,0,0,0|1,0,0]=3 16095 B13R0.154 CC(=O)OCC(O)COCCCCF 34a_100011995726_200000139349 [0,2,0,0,0,0|1,0,0]=3 16096 B13R0.154 CC(=O)OCC(O)COCCCCF 7a_100011995726_200000139349 [0,2,0,0,0,0|1,0,0]=3 16097 B13R0.154 CC(=O)OCC(O)COCCCCI 34a_200012148704_200000139349 [0,2,0,0,0,0|1,0,0]=3 16098 B13R0.154 CC(=O)OCC(O)COCCCCN 34a_100000750430_200000139349 [0,2,0,0,0,0|1,0,0]=3 16099 B13R0.154 CC(=O)OCC(O)CSCCCC#N 62a_100000687738_200000139349 [0,2,0,0,0,0|1,0,1]=4 16100 B13R0.154 CC(=O)OCC(O)CSCCCC#N 62a_200000139349_100000687738 [0,2,0,0,0,0|1,0,1]=4 16101 B13R0.154 CC(=O)OCC(O)CSCCCC=O 62a_200000139349_200011292268 [0,2,0,0,0,0|1,0,1]=4 16102 B13R0.154 CC(=O)OCC(O)CSCCCC=O 62a_200011292268_200000139349 [0,2,0,0,0,0|1,0,1]=4 16103 B13R0.154 CC(=O)OCC(O)CSCCCCF 62a_100000729493_200000139349 [0,2,0,0,0,0|1,0,0]=3 16104 B13R0.154 CC(=O)OCC(O)CSCCCCF 62a_200000139349_100000729493 [0,2,0,0,0,0|1,0,0]=3 16105 B13R0.154 CC(=O)OCC(O)CSCCCCO 62a_100000210776_200000139349 [0,2,0,0,0,0|1,0,0]=3 16106 B13R0.154 CC(=O)OCC(O)CSCCCCO 62a_200000139349_100000210776 [0,2,0,0,0,0|1,0,0]=3 16107 B13R0.154 CC(=O)SCC(=O)CCCCCCF 1458a_100000049016_100015922095 [0,2,0,0,0,0|0,1,1]=4 16108 B13R0.154 CC(=O)SCC(=O)CCCCCCO 1458a_100000049016_100000766143 [0,2,0,0,0,0|0,1,1]=4 16109 B13R0.154 CC(=O)SCC(C)CNCCCCO 2230a_100000750430_200000116872 [0,2,0,0,0,0|1,1,0]=4 16110 B13R0.154 CC(=O)SCC(C)CNCCCCO 34a_100000750430_200000116872 [0,2,0,0,0,0|1,1,0]=4 16111 B13R0.154 CC(=O)SCC(C)COCCCCBr 34a_100011216708_200000116872 [0,2,0,0,0,0|1,1,0]=4 16112 B13R0.154 CC(=O)SCC(C)COCCCCCl 34a_100000210776_200000116872 [0,2,0,0,0,0|1,1,0]=4 16113 B13R0.154 CC(=O)SCC(C)COCCCCCl 7a_100000210776_200000116872 [0,2,0,0,0,0|1,1,0]=4 16114 B13R0.154 CC(=O)SCC(C)COCCCCF 34a_100011995726_200000116872 [0,2,0,0,0,0|1,1,0]=4 16115 B13R0.154 CC(=O)SCC(C)COCCCCF 7a_100011995726_200000116872 [0,2,0,0,0,0|1,1,0]=4 16116 B13R0.154 CC(=O)SCC(C)COCCCCI 34a_200012148704_200000116872 [0,2,0,0,0,0|1,1,0]=4 16117 B13R0.154 CC(=O)SCC(C)COCCCCN 34a_100000750430_200000116872 [0,2,0,0,0,0|1,1,0]=4 16118 B13R0.154 CC(=O)SCC(C)CSCCCCF 62a_100000729493_200000116872 [0,2,0,0,0,0|1,1,0]=4 16119 B13R0.154 CC(=O)SCC(C)CSCCCCF 62a_200000116872_100000729493 [0,2,0,0,0,0|1,1,0]=4 16120 B13R0.154 CC(=O)SCC(C)CSCCCCO 62a_100000210776_200000116872 [0,2,0,0,0,0|1,1,0]=4 16121 B13R0.154 CC(=O)SCC(C)CSCCCCO 62a_200000116872_100000210776 [0,2,0,0,0,0|1,1,0]=4 16122 B13R0.154 CC/C=C\COCC(O)COC(=O)C 34a_100016268518_200000139349 [0,2,0,0,0,0|0,0,2]=4 16123 B13R0.154 CC/C=C\CSCC(O)COC(=O)C 62a_100103147603_200000139349 [0,2,0,0,0,0|0,0,2]=4 16124 B13R0.154 CC/C=C\CSCC(O)COC(=O)C 62a_200000139349_100103147603 [0,2,0,0,0,0|0,0,2]=4 16125 B13R0.154 CCC#CCOCC(O)COC(=O)C 34a_100000032950_200000139349 [0,2,0,0,0,0|0,0,2]=4 16126 B13R0.154 CCC#CCSCC(O)COC(=O)C 62a_100009813939_200000139349 [0,2,0,0,0,0|0,0,2]=4 16127 B13R0.154 CCC#CCSCC(O)COC(=O)C 62a_200000139349_100009813939 [0,2,0,0,0,0|0,0,2]=4 16128 B13R0.154 CCCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210596 [0,2,0,0,0,0|1,0,1]=4 16129 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100000211969_100000761012 [0,2,0,0,0,0|2,0,0]=4 16130 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210614 [0,2,0,0,0,0|2,0,0]=4 16131 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|2,0,0]=4 16132 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|1,0,0]=3 16133 B13R0.154 CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210614 [0,2,0,0,0,0|2,0,0]=4 16134 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|0,0,0]=2 16135 B13R0.154 CCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210614 [0,2,0,0,0,0|1,0,1]=4 16136 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|0,1,0]=3 16137 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|1,0,1]=4 16138 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|1,0,1]=4 16139 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000181853_100000070787 [0,2,0,0,0,0|1,0,1]=4 16140 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000211969 [0,2,0,0,0,0|1,0,1]=4 16141 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|0,0,1]=3 16142 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,2,0,0,0,0|2,0,0]=4 16143 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|2,0,0]=4 16144 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,2,0,0,0,0|0,0,0]=2 16145 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 16146 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 16147 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,2,0,0,0,0|1,0,0]=3 16148 B13R0.154 CCCCCCCC(C)OCC(C)Br 34a_100012180447_200011218727 [0,2,0,0,0,0|1,0,1]=4 16149 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_100000210257_200011218727 [0,2,0,0,0,0|1,0,1]=4 16150 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_200011215852_100000210624 [0,2,0,0,0,0|1,0,1]=4 16151 B13R0.154 CCCCCCCC(C)OCC(C)C 7a_200011215852_100000210760 [0,2,0,0,0,0|1,0,1]=4 16152 B13R0.154 CCCCCCCC(C)OCC(C)F 34a_100015925927_200011218727 [0,2,0,0,0,0|1,0,1]=4 16153 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,2,0,0,0,0|0,0,2]=4 16154 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,2,0,0,0,0|0,0,2]=4 16155 B13R0.154 CCCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218727 [0,2,0,0,0,0|1,0,1]=4 16156 B13R0.154 CCCCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218727 [0,2,0,0,0,0|1,0,1]=4 16157 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,2,0,0,0,0|0,0,2]=4 16158 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,2,0,0,0,0|0,0,2]=4 16159 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215852_100000761209 [0,2,0,0,0,0|2,0,0]=4 16160 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,2,0,0,0,0|1,1,0]=4 16161 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,2,0,0,0,0|1,1,0]=4 16162 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,2,0,0,0,0|1,1,0]=4 16163 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,2,0,0,0,0|1,1,0]=4 16164 B13R0.154 CCCCCCCN(C)CC=C(C)C 2230a_100000228206_100000761012 [0,2,0,0,0,0|2,0,0]=4 16165 B13R0.154 CCCCCCCN(C)CC=C(C)C 269982a_100000228206_100000761012 [0,2,0,0,0,0|2,0,0]=4 16166 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,2,0,0,0,0|1,0,0]=3 16167 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,2,0,0,0,0|2,0,0]=4 16168 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,2,0,0,0,0|2,0,0]=4 16169 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,2,0,0,0,0|2,0,0]=4 16170 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [0,2,0,0,0,0|0,0,0]=2 16171 B13R0.154 CCCCCCCN(C)COC(C)C 2230a_100000228206_100000709892 [0,2,0,0,0,0|1,0,1]=4 16172 B13R0.154 CCCCCCCN(C)COC(C)C 269982a_100000228206_100000709892 [0,2,0,0,0,0|1,0,1]=4 16173 B13R0.154 CCCCCCNC(=O)CNC(=O)C 11a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 16174 B13R0.154 CCCCCCNC(=O)CNC(=O)C 1626a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 16175 B13R0.154 CCCCCCNC(=O)CNC(=O)C 240690a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 16176 B13R0.154 CCCCCCNC(=O)CNC(=O)C 527a_100000210581_100000194580 [0,2,0,0,0,0|1,0,1]=4 16177 B13R0.154 CCCCCCNC(=O)COC(=O)C 1626a_100000210581_100000183556 [0,2,0,0,0,0|0,0,1]=3 16178 B13R0.154 CCCCCCNC(=O)COC(=O)C 240690a_100000210581_100000183556 [0,2,0,0,0,0|0,0,1]=3 16179 B13R0.154 CCCCCCNC(=O)COC(=O)C 527a_100000210581_100000183556 [0,2,0,0,0,0|0,0,1]=3 16180 B13R0.154 CCCCCCNC(=O)CSC(=O)C 11a_100000210581_100000049016 [0,2,0,0,0,0|0,1,1]=4 16181 B13R0.154 CCCCCCNC(=O)CSC(=O)C 1626a_100000210581_100000049016 [0,2,0,0,0,0|0,1,1]=4 16182 B13R0.154 CCCCCCNC(=O)CSC(=O)C 240690a_100000210581_100000049016 [0,2,0,0,0,0|0,1,1]=4 16183 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [0,2,0,0,0,0|0,0,0]=2 16184 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [0,2,0,0,0,0|0,1,0]=3 16185 B13R0.154 CCCCCNN=C(C)COC(=O)C 4a_100000694160_100000000629 [0,2,0,0,0,0|1,0,1]=4 16186 B13R0.154 CCCCCNNC(=O)COC(=O)C 22a_100000694160_100000183556 [0,2,0,0,0,0|1,0,1]=4 16187 B13R0.154 CCCCCOCC(=O)COC(=O)C 34a_100000210253_100000036994 [0,2,0,0,0,0|0,0,1]=3 16188 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [0,2,0,0,0,0|0,1,0]=3 16189 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [0,2,0,0,0,0|0,1,0]=3 16190 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [0,2,0,0,0,0|0,0,0]=2 16191 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [0,2,0,0,0,0|0,0,0]=2 16192 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210326 [0,2,0,0,0,0|0,0,1]=3 16193 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000210326_100000036994 [0,2,0,0,0,0|0,0,1]=3 16194 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [0,2,0,0,0,0|0,1,0]=3 16195 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [0,2,0,0,0,0|0,1,0]=3 16196 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [0,2,0,0,0,0|0,0,0]=2 16197 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [0,2,0,0,0,0|0,0,0]=2 16198 B13R0.154 CCCCOCCC(=O)CNC(=O)C 1458a_100000194580_100000743108 [0,2,0,0,0,0|1,0,1]=4 16199 B13R0.154 CCCCOCCC(=O)COC(=O)C 1458a_100000183556_100000743108 [0,2,0,0,0,0|0,0,1]=3 16200 B13R0.154 CCCCOCCC(=O)CSC(=O)C 1458a_100000049016_100000743108 [0,2,0,0,0,0|0,1,1]=4 16201 B13R0.154 CCCOCCNC(=O)COC(=O)C 1626a_100161115042_100000183556 [0,2,0,0,0,0|1,0,1]=4 16202 B13R0.154 CCCOCCNC(=O)COC(=O)C 240690a_100161115042_100000183556 [0,2,0,0,0,0|1,0,1]=4 16203 B13R0.154 CCCOCCNC(=O)COC(=O)C 527a_100161115042_100000183556 [0,2,0,0,0,0|1,0,1]=4 16204 B13R0.154 CCCOCCNC(C)COC(=O)C 270004a_100161115042_100000000629 [0,2,0,0,0,0|1,0,0]=3 16205 B13R0.154 CCCSCCNC(=O)COC(=O)C 240690a_100020603323_100000183556 [0,2,0,0,0,0|1,0,1]=4 16206 B13R0.154 CCCSCCNC(=O)COC(=O)C 527a_100020603323_100000183556 [0,2,0,0,0,0|1,0,1]=4 16207 B13R0.154 CCCSCCNC(C)COC(=O)C 270004a_100020603323_100000000629 [0,2,0,0,0,0|1,0,0]=3 16208 B13R0.154 CCOCCCNC(=O)COC(=O)C 1626a_100000210961_100000183556 [0,2,0,0,0,0|1,0,1]=4 16209 B13R0.154 CCOCCCNC(=O)COC(=O)C 240690a_100000210961_100000183556 [0,2,0,0,0,0|1,0,1]=4 16210 B13R0.154 CCOCCCNC(=O)COC(=O)C 527a_100000210961_100000183556 [0,2,0,0,0,0|1,0,1]=4 16211 B13R0.154 CCOCCCNC(C)COC(=O)C 270004a_100000210961_100000000629 [0,2,0,0,0,0|1,0,0]=3 16212 B13R0.154 CCOCCNCC(=O)COC(=O)C 34a_102516460346_100000036994 [0,2,0,0,0,0|1,0,1]=4 16213 B13R0.154 CCOCCNCC(C)CSC(=O)C 2230a_102516460346_200000116872 [0,2,0,0,0,0|1,1,0]=4 16214 B13R0.154 CCOCCNCC(C)CSC(=O)C 34a_102516460346_200000116872 [0,2,0,0,0,0|1,1,0]=4 16215 B13R0.154 CCOCCNCC(O)COC(=O)C 34a_102516460346_200000139349 [0,2,0,0,0,0|1,0,0]=3 16216 B13R0.154 CCOCCOCC(=O)COC(=O)C 34a_100000210136_100000036994 [0,2,0,0,0,0|1,0,1]=4 16217 B13R0.154 CCOCCOCC(C)CSC(=O)C 34a_100000210136_200000116872 [0,2,0,0,0,0|1,1,0]=4 16218 B13R0.154 CCOCCOCC(C)CSC(=O)C 7a_100000210136_200000116872 [0,2,0,0,0,0|1,1,0]=4 16219 B13R0.154 CCOCCOCC(O)COC(=O)C 34a_100000210136_200000139349 [0,2,0,0,0,0|1,0,0]=3 16220 B13R0.154 CCOCCOCC(O)COC(=O)C 7a_100000210136_200000139349 [0,2,0,0,0,0|1,0,0]=3 16221 B13R0.154 CCOCCSCC(=O)COC(=O)C 62a_100000036994_100011215890 [0,2,0,0,0,0|1,0,1]=4 16222 B13R0.154 CCOCCSCC(=O)COC(=O)C 62a_100000210147_100000036994 [0,2,0,0,0,0|1,0,1]=4 16223 B13R0.154 CCOCCSCC(C)CSC(=O)C 62a_100000210147_200000116872 [0,2,0,0,0,0|1,1,0]=4 16224 B13R0.154 CCOCCSCC(C)CSC(=O)C 62a_200000116872_100011215890 [0,2,0,0,0,0|1,1,0]=4 16225 B13R0.154 CCOCCSCC(O)COC(=O)C 62a_100000210147_200000139349 [0,2,0,0,0,0|1,0,0]=3 16226 B13R0.154 CCOCCSCC(O)COC(=O)C 62a_200000139349_100011215890 [0,2,0,0,0,0|1,0,0]=3 16227 B13R0.154 CCSCCNCC(C)CSC(=O)C 2230a_100000106463_200000116872 [0,2,0,0,0,0|1,1,0]=4 16228 B13R0.154 CCSCCOCC(=O)COC(=O)C 34a_100000212035_100000036994 [0,2,0,0,0,0|1,0,1]=4 16229 B13R0.154 CCSCCOCC(C)CSC(=O)C 34a_100000212035_200000116872 [0,2,0,0,0,0|1,1,0]=4 16230 B13R0.154 CCSCCOCC(C)CSC(=O)C 7a_100000212035_200000116872 [0,2,0,0,0,0|1,1,0]=4 16231 B13R0.154 CCSCCOCC(O)COC(=O)C 34a_100000212035_200000139349 [0,2,0,0,0,0|1,0,0]=3 16232 B13R0.154 CCSCCOCC(O)COC(=O)C 7a_100000212035_200000139349 [0,2,0,0,0,0|1,0,0]=3 16233 B13R0.154 CCSCCSCC(=O)COC(=O)C 62a_100000036994_100000757381 [0,2,0,0,0,0|1,0,1]=4 16234 B13R0.154 CCSCCSCC(=O)COC(=O)C 62a_100000757381_100000036994 [0,2,0,0,0,0|1,0,1]=4 16235 B13R0.154 CCSCCSCC(C)CSC(=O)C 62a_100000757381_200000116872 [0,2,0,0,0,0|1,1,0]=4 16236 B13R0.154 CCSCCSCC(C)CSC(=O)C 62a_200000116872_100000757381 [0,2,0,0,0,0|1,1,0]=4 16237 B13R0.154 CCSCCSCC(O)COC(=O)C 62a_100000757381_200000139349 [0,2,0,0,0,0|1,0,0]=3 16238 B13R0.154 CCSCCSCC(O)COC(=O)C 62a_200000139349_100000757381 [0,2,0,0,0,0|1,0,0]=3 16239 B13R0.154 CNCCCOCC(=O)COC(=O)C 34a_100000213112_100000036994 [0,2,0,0,0,0|1,0,1]=4 16240 B13R0.154 CNCCCOCC(C)CSC(=O)C 34a_100000213112_200000116872 [0,2,0,0,0,0|1,1,0]=4 16241 B13R0.154 CNCCCOCC(O)COC(=O)C 34a_100000213112_200000139349 [0,2,0,0,0,0|1,0,0]=3 16242 B13R0.154 COCCCNCC(=O)COC(=O)C 34a_100150723488_100000036994 [0,2,0,0,0,0|1,0,1]=4 16243 B13R0.154 COCCCNCC(C)CSC(=O)C 34a_100150723488_200000116872 [0,2,0,0,0,0|1,1,0]=4 16244 B13R0.154 COCCCNCC(O)COC(=O)C 34a_100150723488_200000139349 [0,2,0,0,0,0|1,0,0]=3 16245 B13R0.154 COCCCOCC(=O)COC(=O)C 34a_100000740835_100000036994 [0,2,0,0,0,0|1,0,1]=4 16246 B13R0.154 COCCCOCC(C)CSC(=O)C 34a_100000740835_200000116872 [0,2,0,0,0,0|1,1,0]=4 16247 B13R0.154 COCCCOCC(O)COC(=O)C 34a_100000740835_200000139349 [0,2,0,0,0,0|1,0,0]=3 16248 B13R0.154 COCCCSCC(=O)COC(=O)C 62a_100000036994_100000709357 [0,2,0,0,0,0|1,0,1]=4 16249 B13R0.154 COCCCSCC(=O)COC(=O)C 62a_100000709357_100000036994 [0,2,0,0,0,0|1,0,1]=4 16250 B13R0.154 COCCCSCC(C)CSC(=O)C 62a_100000709357_200000116872 [0,2,0,0,0,0|1,1,0]=4 16251 B13R0.154 COCCCSCC(C)CSC(=O)C 62a_200000116872_100000709357 [0,2,0,0,0,0|1,1,0]=4 16252 B13R0.154 COCCCSCC(O)COC(=O)C 62a_100000709357_200000139349 [0,2,0,0,0,0|1,0,0]=3 16253 B13R0.154 COCCCSCC(O)COC(=O)C 62a_200000139349_100000709357 [0,2,0,0,0,0|1,0,0]=3 16254 B13R0.154 COCCOCCC(=O)COC(=O)C 1458a_100000183556_100000695917 [0,2,0,0,0,0|1,0,1]=4 16255 B13R0.154 CSCCCNCC(C)CSC(=O)C 2230a_100000749238_200000116872 [0,2,0,0,0,0|1,1,0]=4 16256 B13R0.154 CSCCCOCC(=O)COC(=O)C 34a_100000690336_100000036994 [0,2,0,0,0,0|1,0,1]=4 16257 B13R0.154 CSCCCOCC(C)CSC(=O)C 34a_100000690336_200000116872 [0,2,0,0,0,0|1,1,0]=4 16258 B13R0.154 CSCCCOCC(C)CSC(=O)C 7a_100000690336_200000116872 [0,2,0,0,0,0|1,1,0]=4 16259 B13R0.154 CSCCCOCC(O)COC(=O)C 34a_100000690336_200000139349 [0,2,0,0,0,0|1,0,0]=3 16260 B13R0.154 CSCCCOCC(O)COC(=O)C 7a_100000690336_200000139349 [0,2,0,0,0,0|1,0,0]=3 16261 B13R0.179 C=C(Br)CCOCCCCOC(=O)C 34a_100009813270_100000033659 [0,2,0,0,0,0|0,0,2]=4 16262 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 16263 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 16264 B13R0.179 C=C(C)CCNCCCCNC(=O)C 2230a_200011368371_100000730704 [0,2,0,0,0,0|1,0,1]=4 16265 B13R0.179 C=C(C)CCNCCCCNC(=O)C 34a_200011368371_100000730704 [0,2,0,0,0,0|1,0,1]=4 16266 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [0,2,0,0,0,0|2,0,0]=4 16267 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 16268 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 16269 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [0,2,0,0,0,0|0,0,1]=3 16270 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [0,2,0,0,0,0|0,0,1]=3 16271 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [0,2,0,0,0,0|0,0,1]=3 16272 B13R0.179 C=C(C)CCOCCCCSC(=O)C 34a_100000764851_200010402107 [0,2,0,0,0,0|0,1,1]=4 16273 B13R0.179 C=C(C)CCOCOCCOC(=O)C 34a_100000764851_100000076355 [0,2,0,0,0,0|1,0,1]=4 16274 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [0,2,0,0,0,0|2,0,0]=4 16275 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [0,2,0,0,0,0|2,0,0]=4 16276 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [0,2,0,0,0,0|0,0,1]=3 16277 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [0,2,0,0,0,0|0,0,1]=3 16278 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_100000730704_200010402107 [0,2,0,0,0,0|0,1,1]=4 16279 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_200010402107_100000730704 [0,2,0,0,0,0|0,1,1]=4 16280 B13R0.179 C=C(C)CCSCOCCOC(=O)C 62a_100000076355_100000730704 [0,2,0,0,0,0|1,0,1]=4 16281 B13R0.179 C=C(C)CCSCOCCOC(=O)C 62a_100000730704_100000076355 [0,2,0,0,0,0|1,0,1]=4 16282 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 16283 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 16284 B13R0.179 C=C(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748629 [0,2,0,0,0,0|1,0,1]=4 16285 B13R0.179 C=C(C)CNCCCCCNC(=O)C 34a_200012022750_100000748629 [0,2,0,0,0,0|1,0,1]=4 16286 B13R0.179 C=C(C)COCCCCCNC(C)C 34a_100011629493_100000748629 [0,2,0,0,0,0|2,0,0]=4 16287 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [0,2,0,0,0,0|0,0,1]=3 16288 B13R0.179 C=C(C)COCCOCCOC(=O)C 34a_100000210245_200000083610 [0,2,0,0,0,0|1,0,1]=4 16289 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [0,2,0,0,0,0|0,0,1]=3 16290 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [0,2,0,0,0,0|0,0,1]=3 16291 B13R0.179 C=C(C)CSCCOCCOC(=O)C 62a_100000748629_200000083610 [0,2,0,0,0,0|1,0,1]=4 16292 B13R0.179 C=C(C)CSCCOCCOC(=O)C 62a_200000083610_100000211660 [0,2,0,0,0,0|1,0,1]=4 16293 B13R0.179 C=C(F)COCCCCCOC(=O)C 34a_200010262243_100000033007 [0,2,0,0,0,0|0,0,2]=4 16294 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000033007_100000042424 [0,2,0,0,0,0|0,0,2]=4 16295 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000042424_100000033007 [0,2,0,0,0,0|0,0,2]=4 16296 B13R0.179 CC(=CCCOCCCCC(C)C)C 34a_100011214890_100011217483 [0,2,0,0,0,0|2,0,0]=4 16297 B13R0.179 CC(=CCCOCCCCC(C)C)C 7a_100011214890_100011217483 [0,2,0,0,0,0|2,0,0]=4 16298 B13R0.179 CC(=CCCSCCCCC(C)C)C 62a_100011216152_100011217483 [0,2,0,0,0,0|2,0,0]=4 16299 B13R0.179 CC(=CCCSCCCCC(C)C)C 62a_100011217483_100011216152 [0,2,0,0,0,0|2,0,0]=4 16300 B13R0.179 CC(=CCNCCCCCC(C)C)C 2230a_100011290863_100000761012 [0,2,0,0,0,0|2,0,0]=4 16301 B13R0.179 CC(=CCNCCCCCC(C)C)C 34a_100000718196_100000210682 [0,2,0,0,0,0|2,0,0]=4 16302 B13R0.179 CC(=CCNCCCCCC(C)C)C 34a_100011290863_100000761012 [0,2,0,0,0,0|2,0,0]=4 16303 B13R0.179 CC(=CCOCCCCCC(C)C)C 34a_100000753907_100000210682 [0,2,0,0,0,0|2,0,0]=4 16304 B13R0.179 CC(=CCOCCCCCC(C)C)C 34a_100011995859_100000761012 [0,2,0,0,0,0|2,0,0]=4 16305 B13R0.179 CC(=CCOCCCCCC(C)C)C 7a_100011995859_100000761012 [0,2,0,0,0,0|2,0,0]=4 16306 B13R0.179 CC(=CCSCCCCCC(C)C)C 62a_100000210682_100000761012 [0,2,0,0,0,0|2,0,0]=4 16307 B13R0.179 CC(=CCSCCCCCC(C)C)C 62a_100000761012_100000210682 [0,2,0,0,0,0|2,0,0]=4 16308 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [0,2,0,0,0,0|1,0,0]=3 16309 B13R0.179 CC(=O)CCCCNCCOC(C)C 34a_100000701111_100009817362 [0,2,0,0,0,0|2,0,0]=4 16310 B13R0.179 CC(=O)CCCCNCCSC(C)C 34a_100000731138_100009817362 [0,2,0,0,0,0|2,0,0]=4 16311 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,2,0,0,0,0|1,0,1]=4 16312 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,2,0,0,0,0|1,0,1]=4 16313 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [0,2,0,0,0,0|1,0,0]=3 16314 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [0,2,0,0,0,0|1,0,0]=3 16315 B13R0.179 CC(=O)CCCCOCCNC(=O)C 34a_100000158858_100009817362 [0,2,0,0,0,0|1,0,1]=4 16316 B13R0.179 CC(=O)CCCCOCCNC(C)C 34a_100000224655_100009817362 [0,2,0,0,0,0|2,0,0]=4 16317 B13R0.179 CC(=O)CCCCOCCOC(=O)N 7a_100000766696_100000735457 [0,2,0,0,0,0|1,0,1]=4 16318 B13R0.179 CC(=O)CCCCOCCOC(C)C 34a_100000211219_100009817362 [0,2,0,0,0,0|2,0,0]=4 16319 B13R0.179 CC(=O)CCCCOCCOC(C)C 7a_100000211219_100000735457 [0,2,0,0,0,0|2,0,0]=4 16320 B13R0.179 CC(=O)CCCCOCCSC(C)C 34a_200011212901_100009817362 [0,2,0,0,0,0|2,0,0]=4 16321 B13R0.179 CC(=O)CCCCOCCSC(C)C 7a_200011212901_100000735457 [0,2,0,0,0,0|2,0,0]=4 16322 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,2,0,0,0,0|1,0,1]=4 16323 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,2,0,0,0,0|1,0,1]=4 16324 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [0,2,0,0,0,0|1,0,0]=3 16325 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [0,2,0,0,0,0|1,0,0]=3 16326 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,2,0,0,0,0|1,0,0]=3 16327 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,2,0,0,0,0|1,0,0]=3 16328 B13R0.179 CC(=O)CCCCSCCCN(C)C 62a_100000735457_100000757444 [0,2,0,0,0,0|2,0,0]=4 16329 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000735457 [0,2,0,0,0,0|1,0,1]=4 16330 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000735457_100000189650 [0,2,0,0,0,0|1,0,1]=4 16331 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100000735457_100009814007 [0,2,0,0,0,0|0,0,1]=3 16332 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000735457 [0,2,0,0,0,0|0,0,1]=3 16333 B13R0.179 CC(=O)CCCCSCCOC(=O)N 62a_100000735457_200011214921 [0,2,0,0,0,0|1,0,1]=4 16334 B13R0.179 CC(=O)CCCCSCCOC(=O)N 62a_200011214921_100000735457 [0,2,0,0,0,0|1,0,1]=4 16335 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000211751_100000735457 [0,2,0,0,0,0|2,0,0]=4 16336 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000735457_100000211751 [0,2,0,0,0,0|2,0,0]=4 16337 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000730970_100000735457 [0,2,0,0,0,0|2,0,0]=4 16338 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000735457_100000730970 [0,2,0,0,0,0|2,0,0]=4 16339 B13R0.179 CC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000685027 [0,2,0,0,0,0|1,0,1]=4 16340 B13R0.179 CC(=O)CCCNCCCOC(C)C 34a_100000737246_100000685027 [0,2,0,0,0,0|2,0,0]=4 16341 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [0,2,0,0,0,0|1,0,0]=3 16342 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [0,2,0,0,0,0|1,0,0]=3 16343 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [0,2,0,0,0,0|1,0,0]=3 16344 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [0,2,0,0,0,0|1,0,0]=3 16345 B13R0.179 CC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000685027 [0,2,0,0,0,0|1,0,1]=4 16346 B13R0.179 CC(=O)CCCOCCCNC(C)C 34a_100000182298_100000685027 [0,2,0,0,0,0|2,0,0]=4 16347 B13R0.179 CC(=O)CCCOCCCOC(=O)C 34a_100000759063_100000042594 [0,2,0,0,0,0|0,0,1]=3 16348 B13R0.179 CC(=O)CCCOCCCOC(=O)C 7a_100000759063_100000042594 [0,2,0,0,0,0|0,0,1]=3 16349 B13R0.179 CC(=O)CCCOCCCOC(=S)C 34a_100000759063_200135323944 [0,2,0,0,0,0|0,1,1]=4 16350 B13R0.179 CC(=O)CCCOCCCOC(=S)C 7a_100000759063_200135323944 [0,2,0,0,0,0|0,1,1]=4 16351 B13R0.179 CC(=O)CCCOCCCSC(=O)C 34a_100000759063_100000038929 [0,2,0,0,0,0|0,1,1]=4 16352 B13R0.179 CC(=O)CCCOCCCSC(=O)C 7a_100000759063_100000038929 [0,2,0,0,0,0|0,1,1]=4 16353 B13R0.179 CC(=O)CCCOCCNCC(C)C 34a_100015185251_100000685027 [0,2,0,0,0,0|2,0,0]=4 16354 B13R0.179 CC(=O)CCCOCCOCC(C)C 34a_100000703358_100000685027 [0,2,0,0,0,0|2,0,0]=4 16355 B13R0.179 CC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215641 [0,2,0,0,0,0|2,0,0]=4 16356 B13R0.179 CC(=O)CCCOCCSCC(C)C 34a_200000230437_100000685027 [0,2,0,0,0,0|2,0,0]=4 16357 B13R0.179 CC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215641 [0,2,0,0,0,0|2,0,0]=4 16358 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [0,2,0,0,0,0|1,0,0]=3 16359 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [0,2,0,0,0,0|1,0,0]=3 16360 B13R0.179 CC(=O)CCCSCCCCN(C)C 62a_100011215641_100000690147 [0,2,0,0,0,0|2,0,0]=4 16361 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011215641 [0,2,0,0,0,0|0,0,1]=3 16362 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100011215641_100000042594 [0,2,0,0,0,0|0,0,1]=3 16363 B13R0.179 CC(=O)CCCSCCCOC(=S)C 62a_100011215641_200135323944 [0,2,0,0,0,0|0,1,1]=4 16364 B13R0.179 CC(=O)CCCSCCCOC(=S)C 62a_200135323944_100011215641 [0,2,0,0,0,0|0,1,1]=4 16365 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011215641 [0,2,0,0,0,0|0,1,1]=4 16366 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100011215641_100000038929 [0,2,0,0,0,0|0,1,1]=4 16367 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [0,2,0,0,0,0|1,0,0]=3 16368 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [0,2,0,0,0,0|1,0,0]=3 16369 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [0,2,0,0,0,0|1,0,0]=3 16370 B13R0.179 CC(=O)CCOCCCCOC(=O)C 34a_100000759926_100000033659 [0,2,0,0,0,0|0,0,1]=3 16371 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000053229 [0,2,0,0,0,0|0,0,1]=3 16372 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000759926_100000033659 [0,2,0,0,0,0|0,0,1]=3 16373 B13R0.179 CC(=O)CCOCCCCSC(=O)C 34a_100000759926_200010402107 [0,2,0,0,0,0|0,1,1]=4 16374 B13R0.179 CC(=O)CCOCCCCSC(=O)C 7a_100000759926_200010402107 [0,2,0,0,0,0|0,1,1]=4 16375 B13R0.179 CC(=O)CCOCOCCOC(=O)C 34a_100000759926_100000076355 [0,2,0,0,0,0|1,0,1]=4 16376 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [0,2,0,0,0,0|1,0,0]=3 16377 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [0,2,0,0,0,0|1,0,0]=3 16378 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000053229 [0,2,0,0,0,0|0,0,1]=3 16379 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000053229_100000033659 [0,2,0,0,0,0|0,0,1]=3 16380 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_100000053229_200010402107 [0,2,0,0,0,0|0,1,1]=4 16381 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000053229 [0,2,0,0,0,0|0,1,1]=4 16382 B13R0.179 CC(=O)CCSCOCCOC(=O)C 62a_100000053229_100000076355 [0,2,0,0,0,0|1,0,1]=4 16383 B13R0.179 CC(=O)CCSCOCCOC(=O)C 62a_100000076355_100000053229 [0,2,0,0,0,0|1,0,1]=4 16384 B13R0.179 CC(=O)COCCCCCCB(O)O 34a_100000211253_100009817187 [0,2,0,0,0,0|2,0,0]=4 16385 B13R0.179 CC(=O)COCCCCCOC(=O)C 34a_100000211253_100000033007 [0,2,0,0,0,0|0,0,1]=3 16386 B13R0.179 CC(=O)COCCOCCOC(=O)C 34a_100000211253_200000083610 [0,2,0,0,0,0|1,0,1]=4 16387 B13R0.179 CC(=O)NCCCCCCNC(=O)C 11a_200011996284_100015343762 [0,2,0,0,0,0|1,0,1]=4 16388 B13R0.179 CC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100015343762 [0,2,0,0,0,0|1,0,1]=4 16389 B13R0.179 CC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100015343762 [0,2,0,0,0,0|1,0,1]=4 16390 B13R0.179 CC(=O)NCCCCCCNC(=O)C 527a_200011996284_100103153847 [0,2,0,0,0,0|1,0,1]=4 16391 B13R0.179 CC(=O)NCCCCCCNC(C)C 2230a_200011996284_100000210206 [0,2,0,0,0,0|1,0,0]=3 16392 B13R0.179 CC(=O)NCCCCCCNC(C)C 34a_200011996284_100000210206 [0,2,0,0,0,0|1,0,0]=3 16393 B13R0.179 CC(=O)NCCCCCCSC(=O)C 11a_100000704104_100015343762 [0,2,0,0,0,0|0,1,1]=4 16394 B13R0.179 CC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100015343762 [0,2,0,0,0,0|0,1,1]=4 16395 B13R0.179 CC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100015343762 [0,2,0,0,0,0|0,1,1]=4 16396 B13R0.179 CC(=O)NCCCCCCSC(=O)C 527a_100000704104_100103153847 [0,2,0,0,0,0|0,1,1]=4 16397 B13R0.179 CC(=O)NCCCCCNCC(C)C 2230a_200012022750_100000210760 [0,2,0,0,0,0|1,0,0]=3 16398 B13R0.179 CC(=O)NCCCCCNCC(C)C 270004a_200012022750_100000210432 [0,2,0,0,0,0|1,0,0]=3 16399 B13R0.179 CC(=O)NCCCCCNCC(C)C 34a_200012022750_100000210624 [0,2,0,0,0,0|1,0,0]=3 16400 B13R0.179 CC(=O)NCCCCCNCC(C)O 2230a_200012022750_100011218427 [0,2,0,0,0,0|1,0,0]=3 16401 B13R0.179 CC(=O)NCCCCCNCC(C)O 34a_200012022750_100011218427 [0,2,0,0,0,0|1,0,0]=3 16402 B13R0.179 CC(=O)NCCCCCNCC(F)F 2230a_200012022750_100011934356 [0,2,0,0,0,0|2,0,0]=4 16403 B13R0.179 CC(=O)NCCCCCNCC(F)F 34a_200012022750_100011934356 [0,2,0,0,0,0|2,0,0]=4 16404 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 2230a_200012022750_100009817552 [0,2,0,0,0,0|1,0,0]=3 16405 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 34a_200012022750_100009817552 [0,2,0,0,0,0|1,0,0]=3 16406 B13R0.179 CC(=O)NCCCCNCCC(C)C 2230a_200011368371_100000210312 [0,2,0,0,0,0|1,0,0]=3 16407 B13R0.179 CC(=O)NCCCCNCCC(C)C 269862a_200011368371_100000185833 [0,2,0,0,0,0|1,0,0]=3 16408 B13R0.179 CC(=O)NCCCCNCCC(C)C 34a_200011368371_100000210312 [0,2,0,0,0,0|1,0,0]=3 16409 B13R0.179 CC(=O)NCCCCNCCC(C)O 2230a_200011368371_100012276601 [0,2,0,0,0,0|1,0,0]=3 16410 B13R0.179 CC(=O)NCCCCNCCC(C)O 34a_200011368371_100012276601 [0,2,0,0,0,0|1,0,0]=3 16411 B13R0.179 CC(=O)NCCCCNCOC(=O)C 34a_200011368371_100009813279 [0,2,0,0,0,0|1,0,1]=4 16412 B13R0.179 CC(=O)NCCCCNCOC(C)C 2230a_200011368371_100000709892 [0,2,0,0,0,0|2,0,0]=4 16413 B13R0.179 CC(=O)NCCCCNCOC(C)C 34a_200011368371_100000709892 [0,2,0,0,0,0|2,0,0]=4 16414 B13R0.179 CC(=O)NCCCNCCCC(C)C 34a_100000736810_100011214892 [0,2,0,0,0,0|1,0,0]=3 16415 B13R0.179 CC(=O)NCCCNCCCC(C)O 34a_100000736810_200000718107 [0,2,0,0,0,0|1,0,0]=3 16416 B13R0.179 CC(=O)NCCCNCCOC(=O)C 34a_100000736810_100009814007 [0,2,0,0,0,0|1,0,1]=4 16417 B13R0.179 CC(=O)NCCCNCCOC(C)C 34a_100000736810_100000211751 [0,2,0,0,0,0|2,0,0]=4 16418 B13R0.179 CC(=O)NCCCNCCSC(C)C 34a_100000736810_100000730970 [0,2,0,0,0,0|2,0,0]=4 16419 B13R0.179 CC(=O)NCCCOCCCC(C)C 34a_100000752032_100011214892 [0,2,0,0,0,0|1,0,0]=3 16420 B13R0.179 CC(=O)NCCCOCCCC(C)O 34a_100000752032_200000718107 [0,2,0,0,0,0|1,0,0]=3 16421 B13R0.179 CC(=O)NCCCOCCOC(=O)C 34a_100000752032_100009814007 [0,2,0,0,0,0|1,0,1]=4 16422 B13R0.179 CC(=O)NCCCOCCOC(C)C 34a_100000752032_100000211751 [0,2,0,0,0,0|2,0,0]=4 16423 B13R0.179 CC(=O)NCCCOCCSC(C)C 34a_100000752032_100000730970 [0,2,0,0,0,0|2,0,0]=4 16424 B13R0.179 CC(=O)NCCNCCCCC(C)C 2230a_100000209853_100011216152 [0,2,0,0,0,0|1,0,0]=3 16425 B13R0.179 CC(=O)NCCNCCCOC(C)C 2230a_100000737246_100000189650 [0,2,0,0,0,0|2,0,0]=4 16426 B13R0.179 CC(=O)NCCOCCCCC(C)C 34a_100000158858_100011216152 [0,2,0,0,0,0|1,0,0]=3 16427 B13R0.179 CC(=O)NCCOCCCCC(C)C 7a_100011214890_100000189650 [0,2,0,0,0,0|1,0,0]=3 16428 B13R0.179 CC(=O)NCCOCCCOC(=O)C 34a_100000158858_100000042594 [0,2,0,0,0,0|1,0,1]=4 16429 B13R0.179 CC(=O)NCCOCCOCC(C)C 7a_100000703358_100000189650 [0,2,0,0,0,0|2,0,0]=4 16430 B13R0.179 CC(=O)NCCOCCSCC(C)C 7a_200000230437_100000189650 [0,2,0,0,0,0|2,0,0]=4 16431 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100000189650_100011216152 [0,2,0,0,0,0|1,0,0]=3 16432 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100011216152_100000189650 [0,2,0,0,0,0|1,0,0]=3 16433 B13R0.179 CC(=O)NCCSCCCCN(C)C 62a_100000189650_100000690147 [0,2,0,0,0,0|2,0,0]=4 16434 B13R0.179 CC(=O)NCCSCCCOC(=O)C 62a_100000042594_100000189650 [0,2,0,0,0,0|1,0,1]=4 16435 B13R0.179 CC(=O)NCCSCCCOC(=O)C 62a_100000189650_100000042594 [0,2,0,0,0,0|1,0,1]=4 16436 B13R0.179 CC(=O)OCCCCCNCC(=O)N 2230a_100000711301_100009813381 [0,2,0,0,0,0|1,0,1]=4 16437 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,2,0,0,0,0|1,0,1]=4 16438 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [0,2,0,0,0,0|0,0,0]=2 16439 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [0,2,0,0,0,0|0,0,0]=2 16440 B13R0.179 CC(=O)OCCCCCNCC(C)O 2230a_100000210904_100009813381 [0,2,0,0,0,0|0,0,0]=2 16441 B13R0.179 CC(=O)OCCCCCNCC(C)O 34a_100000210904_100000033007 [0,2,0,0,0,0|0,0,0]=2 16442 B13R0.179 CC(=O)OCCCCCNCC(F)F 34a_100000765723_100000033007 [0,2,0,0,0,0|1,0,0]=3 16443 B13R0.179 CC(=O)OCCCCCOCC(C)Br 34a_100012180447_100000033007 [0,2,0,0,0,0|0,0,0]=2 16444 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [0,2,0,0,0,0|0,0,0]=2 16445 B13R0.179 CC(=O)OCCCCCOCC(C)F 34a_100015925927_100000033007 [0,2,0,0,0,0|0,0,0]=2 16446 B13R0.179 CC(=O)OCCCCCOCC(F)F 34a_100000743014_100000033007 [0,2,0,0,0,0|1,0,0]=3 16447 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)Cl 34a_100016084084_100000033007 [0,2,0,0,0,0|0,0,0]=2 16448 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)N 34a_100000737577_100000033007 [0,2,0,0,0,0|0,0,0]=2 16449 B13R0.179 CC(=O)OCCCCCSCC(=O)N 62a_100000033007_100000747473 [0,2,0,0,0,0|1,0,1]=4 16450 B13R0.179 CC(=O)OCCCCCSCC(=O)N 62a_100000747473_100000033007 [0,2,0,0,0,0|1,0,1]=4 16451 B13R0.179 CC(=O)OCCCCCSCC(=O)[O-] 62a_100000033007_100020667443 [0,2,0,0,0,0|1,0,1]=4 16452 B13R0.179 CC(=O)OCCCCCSCC(=O)[O-] 62a_100020667443_100000033007 [0,2,0,0,0,0|1,0,1]=4 16453 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [0,2,0,0,0,0|0,0,0]=2 16454 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [0,2,0,0,0,0|0,0,0]=2 16455 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100000033007_100011218427 [0,2,0,0,0,0|0,0,0]=2 16456 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100011218427_100000033007 [0,2,0,0,0,0|0,0,0]=2 16457 B13R0.179 CC(=O)OCCCCCSCC(F)F 62a_100000033007_100011934356 [0,2,0,0,0,0|1,0,0]=3 16458 B13R0.179 CC(=O)OCCCCCSCC(F)F 62a_100011934356_100000033007 [0,2,0,0,0,0|1,0,0]=3 16459 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100000033007_100009817552 [0,2,0,0,0,0|0,0,0]=2 16460 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100009817552_100000033007 [0,2,0,0,0,0|0,0,0]=2 16461 B13R0.179 CC(=O)OCCCCCSC[N+](=O)[O-] 62a_100000033007_100000761209 [0,2,0,0,0,0|2,0,0]=4 16462 B13R0.179 CC(=O)OCCCCNCC=C(C)C 34a_100000718196_100000033659 [0,2,0,0,0,0|0,0,2]=4 16463 B13R0.179 CC(=O)OCCCCOCC=C(C)C 34a_100000073216_100000761012 [0,2,0,0,0,0|0,0,2]=4 16464 B13R0.179 CC(=O)OCCCCOCC=C(C)C 34a_100000753907_100000033659 [0,2,0,0,0,0|0,0,2]=4 16465 B13R0.179 CC(=O)OCCCCOCC=C(C)C 7a_100000073216_100000761012 [0,2,0,0,0,0|0,0,2]=4 16466 B13R0.179 CC(=O)OCCCCOCCC(=O)N 34a_100000073216_100000731001 [0,2,0,0,0,0|1,0,1]=4 16467 B13R0.179 CC(=O)OCCCCOCCC(=O)N 34a_100000757172_100000033659 [0,2,0,0,0,0|1,0,1]=4 16468 B13R0.179 CC(=O)OCCCCOCCC(=O)N 7a_100000073216_100000744528 [0,2,0,0,0,0|1,0,1]=4 16469 B13R0.179 CC(=O)OCCCCOCCC(=O)N 7a_100000757172_100000033659 [0,2,0,0,0,0|1,0,1]=4 16470 B13R0.179 CC(=O)OCCCCOCCC(C)Br 34a_100009893172_100000033659 [0,2,0,0,0,0|0,0,0]=2 16471 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [0,2,0,0,0,0|0,0,0]=2 16472 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [0,2,0,0,0,0|0,0,0]=2 16473 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [0,2,0,0,0,0|0,0,0]=2 16474 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [0,2,0,0,0,0|0,0,0]=2 16475 B13R0.179 CC(=O)OCCCCOCCC(C)O 34a_100000073216_100012276601 [0,2,0,0,0,0|0,0,0]=2 16476 B13R0.179 CC(=O)OCCCCOCCC(C)O 7a_100000073216_100012276601 [0,2,0,0,0,0|0,0,0]=2 16477 B13R0.179 CC(=O)OCCCCOCCC(F)F 34a_100103093639_100000033659 [0,2,0,0,0,0|1,0,0]=3 16478 B13R0.179 CC(=O)OCCCCOCCN(C)C 7a_100000073216_100000755713 [0,2,0,0,0,0|1,0,0]=3 16479 B13R0.179 CC(=O)OCCCCOCC[C@@H](C)N 34a_100000706166_100000033659 [0,2,0,0,0,0|0,0,0]=2 16480 B13R0.179 CC(=O)OCCCCOCOC(=O)C 34a_100000073216_100009813279 [0,2,0,0,0,0|1,0,1]=4 16481 B13R0.179 CC(=O)OCCCCOCOC(C)C 34a_100000073216_100000709892 [0,2,0,0,0,0|1,0,0]=3 16482 B13R0.179 CC(=O)OCCCCSCC=C(C)C 62a_100000033659_100000761012 [0,2,0,0,0,0|0,0,2]=4 16483 B13R0.179 CC(=O)OCCCCSCC=C(C)C 62a_100000761012_100000033659 [0,2,0,0,0,0|0,0,2]=4 16484 B13R0.179 CC(=O)OCCCCSCCC(=O)N 62a_100000033659_100000744528 [0,2,0,0,0,0|1,0,1]=4 16485 B13R0.179 CC(=O)OCCCCSCCC(=O)N 62a_100000744528_100000033659 [0,2,0,0,0,0|1,0,1]=4 16486 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [0,2,0,0,0,0|0,0,0]=2 16487 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [0,2,0,0,0,0|0,0,0]=2 16488 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100000033659_100012276601 [0,2,0,0,0,0|0,0,0]=2 16489 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100012276601_100000033659 [0,2,0,0,0,0|0,0,0]=2 16490 B13R0.179 CC(=O)OCCCCSCCN(C)C 62a_100000033659_100000755713 [0,2,0,0,0,0|1,0,0]=3 16491 B13R0.179 CC(=O)OCCCCSCOC(=O)C 62a_100000033659_100000076356 [0,2,0,0,0,0|1,0,1]=4 16492 B13R0.179 CC(=O)OCCCCSCOC(=O)C 62a_100000076356_100000033659 [0,2,0,0,0,0|1,0,1]=4 16493 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000033659_100000709892 [0,2,0,0,0,0|1,0,0]=3 16494 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000709892_100000033659 [0,2,0,0,0,0|1,0,0]=3 16495 B13R0.179 CC(=O)OCCCNCCCC(=O)N 34a_100000739312_100000042594 [0,2,0,0,0,0|1,0,1]=4 16496 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [0,2,0,0,0,0|0,0,0]=2 16497 B13R0.179 CC(=O)OCCCNCCOC(C)C 34a_100000701111_100000042594 [0,2,0,0,0,0|1,0,0]=3 16498 B13R0.179 CC(=O)OCCCNCCSC(C)C 34a_100000731138_100000042594 [0,2,0,0,0,0|1,0,0]=3 16499 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [0,2,0,0,0,0|0,0,0]=2 16500 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [0,2,0,0,0,0|0,0,0]=2 16501 B13R0.179 CC(=O)OCCCOCCC[N+](=O)[O-] 34a_200000037920_100000042594 [0,2,0,0,0,0|2,0,0]=4 16502 B13R0.179 CC(=O)OCCCOCCNC(C)C 34a_100000224655_100000042594 [0,2,0,0,0,0|1,0,0]=3 16503 B13R0.179 CC(=O)OCCCOCCOC(C)C 34a_100000211219_100000042594 [0,2,0,0,0,0|1,0,0]=3 16504 B13R0.179 CC(=O)OCCCOCCOC(C)C 7a_100000211219_100000042594 [0,2,0,0,0,0|1,0,0]=3 16505 B13R0.179 CC(=O)OCCCOCCSC(C)C 34a_200011212901_100000042594 [0,2,0,0,0,0|1,0,0]=3 16506 B13R0.179 CC(=O)OCCCOCCSC(C)C 7a_200011212901_100000042594 [0,2,0,0,0,0|1,0,0]=3 16507 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100000042594_100011217483 [0,2,0,0,0,0|0,0,2]=4 16508 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100011217483_100000042594 [0,2,0,0,0,0|0,0,2]=4 16509 B13R0.179 CC(=O)OCCCSCCCC(=O)N 62a_100000042594_100102525003 [0,2,0,0,0,0|1,0,1]=4 16510 B13R0.179 CC(=O)OCCCSCCCC(=O)N 62a_100102525003_100000042594 [0,2,0,0,0,0|1,0,1]=4 16511 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [0,2,0,0,0,0|0,0,0]=2 16512 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [0,2,0,0,0,0|0,0,0]=2 16513 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_100000042594_200000718107 [0,2,0,0,0,0|0,0,0]=2 16514 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_200000718107_100000042594 [0,2,0,0,0,0|0,0,0]=2 16515 B13R0.179 CC(=O)OCCCSCCCN(C)C 62a_100000042594_100000757444 [0,2,0,0,0,0|1,0,0]=3 16516 B13R0.179 CC(=O)OCCCSCCOC(=O)C 62a_100000042594_100009814007 [0,2,0,0,0,0|1,0,1]=4 16517 B13R0.179 CC(=O)OCCCSCCOC(=O)C 62a_100009814007_100000042594 [0,2,0,0,0,0|1,0,1]=4 16518 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000042594_100000211751 [0,2,0,0,0,0|1,0,0]=3 16519 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000211751_100000042594 [0,2,0,0,0,0|1,0,0]=3 16520 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000042594_100000730970 [0,2,0,0,0,0|1,0,0]=3 16521 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000730970_100000042594 [0,2,0,0,0,0|1,0,0]=3 16522 B13R0.179 CC(=O)OCCNCCCCC(=O)N 34a_100000696515_100009814007 [0,2,0,0,0,0|1,0,1]=4 16523 B13R0.179 CC(=O)OCCNCCCOC(C)C 34a_100000737246_100009814007 [0,2,0,0,0,0|1,0,0]=3 16524 B13R0.179 CC(=O)OCCOCCCCC(=O)N 34a_100012022536_100009814007 [0,2,0,0,0,0|1,0,1]=4 16525 B13R0.179 CC(=O)OCCOCCCCC(=O)N 7a_100012022536_100009814007 [0,2,0,0,0,0|1,0,1]=4 16526 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [0,2,0,0,0,0|0,0,0]=2 16527 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [0,2,0,0,0,0|0,0,0]=2 16528 B13R0.179 CC(=O)OCCOCCCC[N+](=O)[O-] 34a_200015379883_100009814007 [0,2,0,0,0,0|2,0,0]=4 16529 B13R0.179 CC(=O)OCCOCCCC[N+](=O)[O-] 7a_200015379883_100009814007 [0,2,0,0,0,0|2,0,0]=4 16530 B13R0.179 CC(=O)OCCOCCCNC(C)C 34a_100000182298_100009814007 [0,2,0,0,0,0|1,0,0]=3 16531 B13R0.179 CC(=O)OCCOCCNCC(C)C 2230a_100000210953_200000083610 [0,2,0,0,0,0|1,0,0]=3 16532 B13R0.179 CC(=O)OCCOCCNCC(C)C 34a_100000210953_200000083610 [0,2,0,0,0,0|1,0,0]=3 16533 B13R0.179 CC(=O)OCCOCCNCC(C)C 34a_100015185251_100009814007 [0,2,0,0,0,0|1,0,0]=3 16534 B13R0.179 CC(=O)OCCOCCNCC(C)O 2230a_100000210904_200000083610 [0,2,0,0,0,0|1,0,0]=3 16535 B13R0.179 CC(=O)OCCOCCNCC(C)O 34a_100000210904_200000083610 [0,2,0,0,0,0|1,0,0]=3 16536 B13R0.179 CC(=O)OCCOCCNCC(F)F 34a_100000765723_200000083610 [0,2,0,0,0,0|2,0,0]=4 16537 B13R0.179 CC(=O)OCCOCCOCC(C)Br 34a_100012180447_200000083610 [0,2,0,0,0,0|1,0,0]=3 16538 B13R0.179 CC(=O)OCCOCCOCC(C)C 34a_100000210257_200000083610 [0,2,0,0,0,0|1,0,0]=3 16539 B13R0.179 CC(=O)OCCOCCOCC(C)C 34a_100000703358_100009814007 [0,2,0,0,0,0|1,0,0]=3 16540 B13R0.179 CC(=O)OCCOCCOCC(C)C 7a_100000703358_100009814007 [0,2,0,0,0,0|1,0,0]=3 16541 B13R0.179 CC(=O)OCCOCCOCC(C)F 34a_100015925927_200000083610 [0,2,0,0,0,0|1,0,0]=3 16542 B13R0.179 CC(=O)OCCOCCOCC(F)F 34a_100000704375_100009814007 [0,2,0,0,0,0|2,0,0]=4 16543 B13R0.179 CC(=O)OCCOCCOCC(F)F 34a_100000743014_200000083610 [0,2,0,0,0,0|2,0,0]=4 16544 B13R0.179 CC(=O)OCCOCCOCC(F)F 7a_100000704375_100009814007 [0,2,0,0,0,0|2,0,0]=4 16545 B13R0.179 CC(=O)OCCOCCOC[C@@H](C)Cl 34a_100016084084_200000083610 [0,2,0,0,0,0|1,0,0]=3 16546 B13R0.179 CC(=O)OCCOCCOC[C@@H](C)N 34a_100000737577_200000083610 [0,2,0,0,0,0|1,0,0]=3 16547 B13R0.179 CC(=O)OCCOCCSCC(C)C 34a_200000230437_100009814007 [0,2,0,0,0,0|1,0,0]=3 16548 B13R0.179 CC(=O)OCCOCCSCC(C)C 62a_100000210624_200000083610 [0,2,0,0,0,0|1,0,0]=3 16549 B13R0.179 CC(=O)OCCOCCSCC(C)C 62a_200000083610_100000210760 [0,2,0,0,0,0|1,0,0]=3 16550 B13R0.179 CC(=O)OCCOCCSCC(C)C 7a_200000230437_100009814007 [0,2,0,0,0,0|1,0,0]=3 16551 B13R0.179 CC(=O)OCCOCCSCC(C)O 62a_100011218427_200000083610 [0,2,0,0,0,0|1,0,0]=3 16552 B13R0.179 CC(=O)OCCOCCSCC(C)O 62a_200000083610_100011218427 [0,2,0,0,0,0|1,0,0]=3 16553 B13R0.179 CC(=O)OCCOCCSCC(F)F 62a_100011934356_200000083610 [0,2,0,0,0,0|2,0,0]=4 16554 B13R0.179 CC(=O)OCCOCCSCC(F)F 62a_200000083610_100011934356 [0,2,0,0,0,0|2,0,0]=4 16555 B13R0.179 CC(=O)OCCOCCSC[C@@H](C)O 62a_100009817552_200000083610 [0,2,0,0,0,0|1,0,0]=3 16556 B13R0.179 CC(=O)OCCOCCSC[C@@H](C)O 62a_200000083610_100009817552 [0,2,0,0,0,0|1,0,0]=3 16557 B13R0.179 CC(=O)OCCOCOCCC(C)Br 34a_100009893172_100000076355 [0,2,0,0,0,0|1,0,0]=3 16558 B13R0.179 CC(=O)OCCOCOCCC(C)C 34a_100000210254_100000076355 [0,2,0,0,0,0|1,0,0]=3 16559 B13R0.179 CC(=O)OCCOCOCCC(F)F 34a_100103093639_100000076355 [0,2,0,0,0,0|2,0,0]=4 16560 B13R0.179 CC(=O)OCCOCOCC[C@@H](C)N 34a_100000706166_100000076355 [0,2,0,0,0,0|1,0,0]=3 16561 B13R0.179 CC(=O)OCCOCSCCC(C)C 62a_100000076355_100000210312 [0,2,0,0,0,0|1,0,0]=3 16562 B13R0.179 CC(=O)OCCOCSCCC(C)C 62a_100000210312_100000076355 [0,2,0,0,0,0|1,0,0]=3 16563 B13R0.179 CC(=O)OCCOCSCCC(C)O 62a_100000076355_100012276601 [0,2,0,0,0,0|1,0,0]=3 16564 B13R0.179 CC(=O)OCCOCSCCC(C)O 62a_100012276601_100000076355 [0,2,0,0,0,0|1,0,0]=3 16565 B13R0.179 CC(=O)OCCOCSCCN(C)C 62a_100000076355_100000755713 [0,2,0,0,0,0|2,0,0]=4 16566 B13R0.179 CC(=O)OCCOCSCOC(C)C 62a_100000076355_100000709892 [0,2,0,0,0,0|2,0,0]=4 16567 B13R0.179 CC(=O)OCCOCSCOC(C)C 62a_100000709892_100000076355 [0,2,0,0,0,0|2,0,0]=4 16568 B13R0.179 CC(=O)OCCSCCCCB(O)O 62a_100009814007_200009817182 [0,2,0,0,0,0|2,0,0]=4 16569 B13R0.179 CC(=O)OCCSCCCCB(O)O 62a_200009817182_100009814007 [0,2,0,0,0,0|2,0,0]=4 16570 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [0,2,0,0,0,0|0,0,0]=2 16571 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [0,2,0,0,0,0|0,0,0]=2 16572 B13R0.179 CC(=O)OCCSCCCCN(C)C 62a_100009814007_100000690147 [0,2,0,0,0,0|1,0,0]=3 16573 B13R0.179 CC(=O)OCCSCCCOC(=S)C 62a_100009814007_200135323944 [0,2,0,0,0,0|1,0,1]=4 16574 B13R0.179 CC(=O)OCCSCCCOC(=S)C 62a_200135323944_100009814007 [0,2,0,0,0,0|1,0,1]=4 16575 B13R0.179 CC(=O)OCCSCCCSC(=O)C 62a_100000038929_100009814007 [0,2,0,0,0,0|1,0,1]=4 16576 B13R0.179 CC(=O)OCCSCCCSC(=O)C 62a_100009814007_100000038929 [0,2,0,0,0,0|1,0,1]=4 16577 B13R0.179 CC(=O)OCCSCCOCC(F)F 62a_100009814007_200012177212 [0,2,0,0,0,0|2,0,0]=4 16578 B13R0.179 CC(=O)OCCSCCOCC(F)F 62a_200012177212_100009814007 [0,2,0,0,0,0|2,0,0]=4 16579 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [0,2,0,0,0,0|0,0,0]=2 16580 B13R0.179 CC(=O)OCNCCCOCC(C)C 34a_100000205972_100009813279 [0,2,0,0,0,0|1,0,0]=3 16581 B13R0.179 CC(=O)OCOCCCCCC(=O)N 34a_100000123541_100009813279 [0,2,0,0,0,0|1,0,1]=4 16582 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [0,2,0,0,0,0|0,0,0]=2 16583 B13R0.179 CC(=O)OCOCCCCNC(C)C 34a_100011521146_100009813279 [0,2,0,0,0,0|1,0,0]=3 16584 B13R0.179 CC(=O)OCSCCCCCB(O)O 62a_100000076356_200009817188 [0,2,0,0,0,0|2,0,0]=4 16585 B13R0.179 CC(=O)OCSCCCCCB(O)O 62a_200009817188_100000076356 [0,2,0,0,0,0|2,0,0]=4 16586 B13R0.179 CC(=O)OCSCCCCCC(=O)N 62a_100000076356_100009817443 [0,2,0,0,0,0|1,0,1]=4 16587 B13R0.179 CC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000076356 [0,2,0,0,0,0|1,0,1]=4 16588 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [0,2,0,0,0,0|0,0,0]=2 16589 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [0,2,0,0,0,0|0,0,0]=2 16590 B13R0.179 CC(=O)OCSCCCCSC(=O)C 62a_100000076356_200010402107 [0,2,0,0,0,0|1,0,1]=4 16591 B13R0.179 CC(=O)OCSCCCCSC(=O)C 62a_200010402107_100000076356 [0,2,0,0,0,0|1,0,1]=4 16592 B13R0.179 CC(=O)SCCCCNCCC(C)O 2230a_200000755665_200010402107 [0,2,0,0,0,0|0,1,0]=3 16593 B13R0.179 CC(=O)SCCCCOCCC(C)Br 34a_100009893172_200010402107 [0,2,0,0,0,0|0,1,0]=3 16594 B13R0.179 CC(=O)SCCCCOCCC(C)C 34a_100000210254_200010402107 [0,2,0,0,0,0|0,1,0]=3 16595 B13R0.179 CC(=O)SCCCCOCCC(C)C 7a_100000210254_200010402107 [0,2,0,0,0,0|0,1,0]=3 16596 B13R0.179 CC(=O)SCCCCOCCC(F)F 34a_100103093639_200010402107 [0,2,0,0,0,0|1,1,0]=4 16597 B13R0.179 CC(=O)SCCCCOCC[C@@H](C)N 34a_100000706166_200010402107 [0,2,0,0,0,0|0,1,0]=3 16598 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_100000210312_200010402107 [0,2,0,0,0,0|0,1,0]=3 16599 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_200010402107_100000210312 [0,2,0,0,0,0|0,1,0]=3 16600 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_100012276601_200010402107 [0,2,0,0,0,0|0,1,0]=3 16601 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_200010402107_100012276601 [0,2,0,0,0,0|0,1,0]=3 16602 B13R0.179 CC(=O)SCCCCSCCN(C)C 62a_200010402107_100000755713 [0,2,0,0,0,0|1,1,0]=4 16603 B13R0.179 CC(=O)SCCCCSCOC(C)C 62a_100000709892_200010402107 [0,2,0,0,0,0|1,1,0]=4 16604 B13R0.179 CC(=O)SCCCCSCOC(C)C 62a_200010402107_100000709892 [0,2,0,0,0,0|1,1,0]=4 16605 B13R0.179 CC(=O)SCCCNCCCC(C)C 2230a_200000737386_100000038929 [0,2,0,0,0,0|0,1,0]=3 16606 B13R0.179 CC(=O)SCCCNCCCC(C)C 34a_200000737386_100000038929 [0,2,0,0,0,0|0,1,0]=3 16607 B13R0.179 CC(=O)SCCCNCCCS(=O)C 2230a_200000753449_100000038929 [0,2,0,0,0,0|1,1,0]=4 16608 B13R0.179 CC(=O)SCCCNCCOC(C)C 2230a_100000701111_100000038929 [0,2,0,0,0,0|1,1,0]=4 16609 B13R0.179 CC(=O)SCCCNCCOC(C)C 34a_100000701111_100000038929 [0,2,0,0,0,0|1,1,0]=4 16610 B13R0.179 CC(=O)SCCCNCCSC(C)C 2230a_100000731138_100000038929 [0,2,0,0,0,0|1,1,0]=4 16611 B13R0.179 CC(=O)SCCCNCCSC(C)C 34a_100000731138_100000038929 [0,2,0,0,0,0|1,1,0]=4 16612 B13R0.179 CC(=O)SCCCOCCCC(C)C 34a_100000210774_100000038929 [0,2,0,0,0,0|0,1,0]=3 16613 B13R0.179 CC(=O)SCCCOCCCC(C)C 7a_100000210774_100000038929 [0,2,0,0,0,0|0,1,0]=3 16614 B13R0.179 CC(=O)SCCCOCCNC(C)C 34a_100000224655_100000038929 [0,2,0,0,0,0|1,1,0]=4 16615 B13R0.179 CC(=O)SCCCOCCOC(C)C 34a_100000211219_100000038929 [0,2,0,0,0,0|1,1,0]=4 16616 B13R0.179 CC(=O)SCCCOCCOC(C)C 7a_100000211219_100000038929 [0,2,0,0,0,0|1,1,0]=4 16617 B13R0.179 CC(=O)SCCCOCCSC(C)C 34a_200011212901_100000038929 [0,2,0,0,0,0|1,1,0]=4 16618 B13R0.179 CC(=O)SCCCOCCSC(C)C 7a_200011212901_100000038929 [0,2,0,0,0,0|1,1,0]=4 16619 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100000038929_100011214892 [0,2,0,0,0,0|0,1,0]=3 16620 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100011214892_100000038929 [0,2,0,0,0,0|0,1,0]=3 16621 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_100000038929_200000718107 [0,2,0,0,0,0|0,1,0]=3 16622 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_200000718107_100000038929 [0,2,0,0,0,0|0,1,0]=3 16623 B13R0.179 CC(=O)SCCCSCCCN(C)C 62a_100000038929_100000757444 [0,2,0,0,0,0|1,1,0]=4 16624 B13R0.179 CC(=O)SCCCSCCOC(C)C 62a_100000038929_100000211751 [0,2,0,0,0,0|1,1,0]=4 16625 B13R0.179 CC(=O)SCCCSCCOC(C)C 62a_100000211751_100000038929 [0,2,0,0,0,0|1,1,0]=4 16626 B13R0.179 CC(=O)SCCCSCCSC(C)C 62a_100000038929_100000730970 [0,2,0,0,0,0|1,1,0]=4 16627 B13R0.179 CC(=O)SCCCSCCSC(C)C 62a_100000730970_100000038929 [0,2,0,0,0,0|1,1,0]=4 16628 B13R0.179 CC(=S)OCCCNCCCC(C)C 2230a_200000737386_200135323944 [0,2,0,0,0,0|0,1,0]=3 16629 B13R0.179 CC(=S)OCCCNCCCC(C)C 34a_200000737386_200135323944 [0,2,0,0,0,0|0,1,0]=3 16630 B13R0.179 CC(=S)OCCCNCCCS(=O)C 2230a_200000753449_200135323944 [0,2,0,0,0,0|1,1,0]=4 16631 B13R0.179 CC(=S)OCCCNCCOC(C)C 2230a_100000701111_200135323944 [0,2,0,0,0,0|1,1,0]=4 16632 B13R0.179 CC(=S)OCCCNCCOC(C)C 34a_100000701111_200135323944 [0,2,0,0,0,0|1,1,0]=4 16633 B13R0.179 CC(=S)OCCCNCCSC(C)C 2230a_100000731138_200135323944 [0,2,0,0,0,0|1,1,0]=4 16634 B13R0.179 CC(=S)OCCCNCCSC(C)C 34a_100000731138_200135323944 [0,2,0,0,0,0|1,1,0]=4 16635 B13R0.179 CC(=S)OCCCOCCCC(C)C 34a_100000210774_200135323944 [0,2,0,0,0,0|0,1,0]=3 16636 B13R0.179 CC(=S)OCCCOCCCC(C)C 7a_100000210774_200135323944 [0,2,0,0,0,0|0,1,0]=3 16637 B13R0.179 CC(=S)OCCCOCCNC(C)C 34a_100000224655_200135323944 [0,2,0,0,0,0|1,1,0]=4 16638 B13R0.179 CC(=S)OCCCOCCOC(C)C 34a_100000211219_200135323944 [0,2,0,0,0,0|1,1,0]=4 16639 B13R0.179 CC(=S)OCCCOCCOC(C)C 7a_100000211219_200135323944 [0,2,0,0,0,0|1,1,0]=4 16640 B13R0.179 CC(=S)OCCCOCCSC(C)C 34a_200011212901_200135323944 [0,2,0,0,0,0|1,1,0]=4 16641 B13R0.179 CC(=S)OCCCOCCSC(C)C 7a_200011212901_200135323944 [0,2,0,0,0,0|1,1,0]=4 16642 B13R0.179 CC(=S)OCCCSCCCC(C)C 62a_100011214892_200135323944 [0,2,0,0,0,0|0,1,0]=3 16643 B13R0.179 CC(=S)OCCCSCCCC(C)C 62a_200135323944_100011214892 [0,2,0,0,0,0|0,1,0]=3 16644 B13R0.179 CC(=S)OCCCSCCCC(C)O 62a_200000718107_200135323944 [0,2,0,0,0,0|0,1,0]=3 16645 B13R0.179 CC(=S)OCCCSCCCC(C)O 62a_200135323944_200000718107 [0,2,0,0,0,0|0,1,0]=3 16646 B13R0.179 CC(=S)OCCCSCCCN(C)C 62a_200135323944_100000757444 [0,2,0,0,0,0|1,1,0]=4 16647 B13R0.179 CC(=S)OCCCSCCOC(C)C 62a_100000211751_200135323944 [0,2,0,0,0,0|1,1,0]=4 16648 B13R0.179 CC(=S)OCCCSCCOC(C)C 62a_200135323944_100000211751 [0,2,0,0,0,0|1,1,0]=4 16649 B13R0.179 CC(=S)OCCCSCCSC(C)C 62a_100000730970_200135323944 [0,2,0,0,0,0|1,1,0]=4 16650 B13R0.179 CC(=S)OCCCSCCSC(C)C 62a_200135323944_100000730970 [0,2,0,0,0,0|1,1,0]=4 16651 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [0,2,0,0,0,0|2,0,0]=4 16652 B13R0.179 CC(Br)CCOCCCCO[N+](=O)[O-] 34a_100009893172_100015694321 [0,2,0,0,0,0|2,0,0]=4 16653 B13R0.179 CC(C)CCCCCCCOC(C)C 34a_200000210741_100000210206 [0,2,0,0,0,0|1,0,1]=4 16654 B13R0.179 CC(C)CCCCCCCOC(C)C 7a_200000210741_100000210206 [0,2,0,0,0,0|1,0,1]=4 16655 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,2,0,0,0,0|2,0,0]=4 16656 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,2,0,0,0,0|2,0,0]=4 16657 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,2,0,0,0,0|2,0,0]=4 16658 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [0,2,0,0,0,0|2,0,0]=4 16659 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [0,2,0,0,0,0|2,0,0]=4 16660 B13R0.179 CC(C)CCCCCNCOC(C)C 2230a_100011290863_100000709892 [0,2,0,0,0,0|1,0,1]=4 16661 B13R0.179 CC(C)CCCCCNCOC(C)C 34a_100011290863_100000709892 [0,2,0,0,0,0|1,0,1]=4 16662 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,2,0,0,0,0|2,0,0]=4 16663 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [0,2,0,0,0,0|2,0,0]=4 16664 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [0,2,0,0,0,0|2,0,0]=4 16665 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [0,2,0,0,0,0|2,0,0]=4 16666 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [0,2,0,0,0,0|2,0,0]=4 16667 B13R0.179 CC(C)CCCCCOCOC(C)C 34a_100011995859_100000709892 [0,2,0,0,0,0|1,0,1]=4 16668 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [0,2,0,0,0,0|2,0,0]=4 16669 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [0,2,0,0,0,0|2,0,0]=4 16670 B13R0.179 CC(C)CCCCCSCOC(C)C 62a_100000210682_100000709892 [0,2,0,0,0,0|1,0,1]=4 16671 B13R0.179 CC(C)CCCCCSCOC(C)C 62a_100000709892_100000210682 [0,2,0,0,0,0|1,0,1]=4 16672 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [0,2,0,0,0,0|2,0,0]=4 16673 B13R0.179 CC(C)CCCCNCCCS(=O)C 2230a_200000753449_100011216152 [0,2,0,0,0,0|2,0,0]=4 16674 B13R0.179 CC(C)CCCCNCCNC(=O)N 34a_100020590234_100011216152 [0,2,0,0,0,0|2,0,0]=4 16675 B13R0.179 CC(C)CCCCNCCOC(C)C 2230a_100000701111_100011216152 [0,2,0,0,0,0|1,0,1]=4 16676 B13R0.179 CC(C)CCCCNCCOC(C)C 34a_100000701111_100011216152 [0,2,0,0,0,0|1,0,1]=4 16677 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [0,2,0,0,0,0|2,0,0]=4 16678 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [0,2,0,0,0,0|2,0,0]=4 16679 B13R0.179 CC(C)CCCCOCCNC(=O)N 34a_100000181757_100011216152 [0,2,0,0,0,0|2,0,0]=4 16680 B13R0.179 CC(C)CCCCOCCNC(=O)N 7a_100011214890_200000034859 [0,2,0,0,0,0|2,0,0]=4 16681 B13R0.179 CC(C)CCCCOCCOC(=O)N 34a_100011214890_200011214921 [0,2,0,0,0,0|1,0,0]=3 16682 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100000766696_100011216152 [0,2,0,0,0,0|1,0,0]=3 16683 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100011214890_200011214921 [0,2,0,0,0,0|1,0,0]=3 16684 B13R0.179 CC(C)CCCCOCCOC(C)C 34a_100000211219_100011216152 [0,2,0,0,0,0|1,0,1]=4 16685 B13R0.179 CC(C)CCCCOCCOC(C)C 34a_100011214890_100000211751 [0,2,0,0,0,0|1,0,1]=4 16686 B13R0.179 CC(C)CCCCOCCOC(C)C 7a_100000211219_100011216152 [0,2,0,0,0,0|1,0,1]=4 16687 B13R0.179 CC(C)CCCCOCCOC(C)C 7a_100011214890_100000211751 [0,2,0,0,0,0|1,0,1]=4 16688 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [0,2,0,0,0,0|2,0,0]=4 16689 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [0,2,0,0,0,0|2,0,0]=4 16690 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_100011216152_200000034859 [0,2,0,0,0,0|2,0,0]=4 16691 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_200000034859_100011216152 [0,2,0,0,0,0|2,0,0]=4 16692 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_100011216152_200011214921 [0,2,0,0,0,0|1,0,0]=3 16693 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_200011214921_100011216152 [0,2,0,0,0,0|1,0,0]=3 16694 B13R0.179 CC(C)CCCCSCCOC(C)C 62a_100000211751_100011216152 [0,2,0,0,0,0|1,0,1]=4 16695 B13R0.179 CC(C)CCCCSCCOC(C)C 62a_100011216152_100000211751 [0,2,0,0,0,0|1,0,1]=4 16696 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [0,2,0,0,0,0|2,0,0]=4 16697 B13R0.179 CC(C)CCCNCCCOC(C)C 2230a_100000737246_100011214892 [0,2,0,0,0,0|1,0,1]=4 16698 B13R0.179 CC(C)CCCNCCCOC(C)C 34a_100000737246_100011214892 [0,2,0,0,0,0|1,0,1]=4 16699 B13R0.179 CC(C)CCCNCCOCC(=O)N 2230a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 16700 B13R0.179 CC(C)CCCNCCOCC(=O)N 34a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 16701 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,2,0,0,0,0|2,0,0]=4 16702 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [0,2,0,0,0,0|2,0,0]=4 16703 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [0,2,0,0,0,0|2,0,0]=4 16704 B13R0.179 CC(C)CCCOCCOCC(=O)N 34a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 16705 B13R0.179 CC(C)CCCOCCOCC(=O)N 7a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 16706 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100000076697_100011214892 [0,2,0,0,0,0|2,0,0]=4 16707 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100011214892_100000076697 [0,2,0,0,0,0|2,0,0]=4 16708 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [0,2,0,0,0,0|2,0,0]=4 16709 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [0,2,0,0,0,0|2,0,0]=4 16710 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [0,2,0,0,0,0|2,0,0]=4 16711 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [0,2,0,0,0,0|2,0,0]=4 16712 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [0,2,0,0,0,0|2,0,0]=4 16713 B13R0.179 CC(C)CCOCCCCO[N+](=O)[O-] 34a_100000210254_100015694321 [0,2,0,0,0,0|2,0,0]=4 16714 B13R0.179 CC(C)CCOCCCCO[N+](=O)[O-] 7a_100000210254_100015694321 [0,2,0,0,0,0|2,0,0]=4 16715 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [0,2,0,0,0,0|2,0,0]=4 16716 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [0,2,0,0,0,0|2,0,0]=4 16717 B13R0.179 CC(C)CCSCCCCO[N+](=O)[O-] 62a_100000210312_100015694321 [0,2,0,0,0,0|2,0,0]=4 16718 B13R0.179 CC(C)CNCCOCCOC(=O)N 34a_100015185251_200011214921 [0,2,0,0,0,0|2,0,0]=4 16719 B13R0.179 CC(C)COCCOCCOC(=O)N 34a_100000703358_200011214921 [0,2,0,0,0,0|2,0,0]=4 16720 B13R0.179 CC(C)COCCOCCOC(=O)N 7a_100000703358_200011214921 [0,2,0,0,0,0|2,0,0]=4 16721 B13R0.179 CC(C)CSCCOCCOC(=O)N 34a_200000230437_200011214921 [0,2,0,0,0,0|2,0,0]=4 16722 B13R0.179 CC(C)CSCCOCCOC(=O)N 7a_200000230437_200011214921 [0,2,0,0,0,0|2,0,0]=4 16723 B13R0.179 CC(C)NCCCCCOCC(=O)N 34a_100011629493_100000187820 [0,2,0,0,0,0|2,0,0]=4 16724 B13R0.179 CC(C)NCCCCCOCC(=O)[O-] 34a_100011629493_100020667443 [0,2,0,0,0,0|2,0,0]=4 16725 B13R0.179 CC(C)NCCCOCCOC(=O)N 34a_100000182298_200011214921 [0,2,0,0,0,0|2,0,0]=4 16726 B13R0.179 CC(C)OCCCNCCOC(=O)N 34a_100000737246_200011214921 [0,2,0,0,0,0|2,0,0]=4 16727 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,2,0,0,0,0|2,0,0]=4 16728 B13R0.179 CC(O)CCCNCCCOC(C)C 2230a_100000737246_200000718107 [0,2,0,0,0,0|1,0,1]=4 16729 B13R0.179 CC(O)CCCNCCCOC(C)C 34a_100000737246_200000718107 [0,2,0,0,0,0|1,0,1]=4 16730 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,2,0,0,0,0|2,0,0]=4 16731 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,2,0,0,0,0|2,0,0]=4 16732 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,2,0,0,0,0|2,0,0]=4 16733 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_100000076697_200000718107 [0,2,0,0,0,0|2,0,0]=4 16734 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_200000718107_100000076697 [0,2,0,0,0,0|2,0,0]=4 16735 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,2,0,0,0,0|2,0,0]=4 16736 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,2,0,0,0,0|2,0,0]=4 16737 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,2,0,0,0,0|2,0,0]=4 16738 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,2,0,0,0,0|2,0,0]=4 16739 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,2,0,0,0,0|2,0,0]=4 16740 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,2,0,0,0,0|2,0,0]=4 16741 B13R0.179 CC(O)CCSCCCCO[N+](=O)[O-] 62a_100012276601_100015694321 [0,2,0,0,0,0|2,0,0]=4 16742 B13R0.179 CN(C)CCCCSCCOC(=O)N 62a_200011214921_100000690147 [0,2,0,0,0,0|2,0,0]=4 16743 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 16744 B13R0.179 C[C@@H](N)CCOCCCCO[N+](=O)[O-] 34a_100000706166_100015694321 [0,2,0,0,0,0|2,0,0]=4 16745 B13R0.202 C#CC(C)NCCCCCNC(=O)C 34a_200012022750_200000035995 [0,2,0,0,0,0|2,0,0]=4 16746 B13R0.202 C#CC(C)NCCCCCOC(=O)C 2230a_100000707721_100009813381 [0,2,0,0,0,0|1,0,0]=3 16747 B13R0.202 C#CC(C)NCCCCCOC(=O)C 34a_100000707721_100000033007 [0,2,0,0,0,0|1,0,0]=3 16748 B13R0.202 C#CC(C)NCCOCCOC(=O)C 2230a_100000707721_200000083610 [0,2,0,0,0,0|2,0,0]=4 16749 B13R0.202 C#CC(C)NCCOCCOC(=O)C 34a_100000707721_200000083610 [0,2,0,0,0,0|2,0,0]=4 16750 B13R0.202 C#CC(C)SCCCCCOC(=O)C 62a_200000035995_100000033007 [0,2,0,0,0,0|1,0,0]=3 16751 B13R0.202 C#CC(C)SCCOCCOC(=O)C 62a_200000035995_200000083610 [0,2,0,0,0,0|2,0,0]=4 16752 B13R0.202 C#CC(O)CCCCCOCC(=O)C 34a_100000211253_200010408556 [0,2,0,0,0,0|0,0,2]=4 16753 B13R0.202 C#C[C@@H](C)OCCCCCOC(=O)C 34a_100009815206_100000033007 [0,2,0,0,0,0|1,0,0]=3 16754 B13R0.202 C#C[C@@H](C)OCCCCCOC(=O)C 7a_100009815206_100000033007 [0,2,0,0,0,0|1,0,0]=3 16755 B13R0.202 C#C[C@@H](C)OCCOCCOC(=O)C 34a_100009815206_200000083610 [0,2,0,0,0,0|2,0,0]=4 16756 B13R0.202 C#C[C@@H](C)OCCOCCOC(=O)C 7a_100009815206_200000083610 [0,2,0,0,0,0|2,0,0]=4 16757 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [0,2,0,0,0,0|1,0,0]=3 16758 B13R0.202 C=C(F)COCCCCCC(C)CC 7a_200000035636_100000042424 [0,2,0,0,0,0|1,0,1]=4 16759 B13R0.202 C=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000185746 [0,2,0,0,0,0|1,0,1]=4 16760 B13R0.202 C=CC(=O)NCCCCCCC(C)C 240690a_100000211014_200121576911 [0,2,0,0,0,0|1,0,1]=4 16761 B13R0.202 C=CC(=O)OCCCCCCC(=O)C 1458a_100000070787_100009894100 [0,2,0,0,0,0|0,0,2]=4 16762 B13R0.202 C=CC(=O)OCCCCCCN(C)C 2230a_100102631434_100009894100 [0,2,0,0,0,0|1,0,1]=4 16763 B13R0.202 C=CC(=O)OCCCCCCN(C)C 269982a_100102631434_100009894100 [0,2,0,0,0,0|1,0,1]=4 16764 B13R0.202 C=CC(=O)OCCCCCOC(C)C 7a_200011023508_100000210206 [0,2,0,0,0,0|1,0,1]=4 16765 B13R0.202 C=CC(=O)OCCNCCCC(C)C 2230a_200000737386_100009813456 [0,2,0,0,0,0|1,0,1]=4 16766 B13R0.202 C=CC(=O)OCCNCCCC(C)C 34a_200000737386_100009813456 [0,2,0,0,0,0|1,0,1]=4 16767 B13R0.202 C=CC(=O)OCCOCCCC(C)C 34a_100000210774_100009813456 [0,2,0,0,0,0|1,0,1]=4 16768 B13R0.202 C=CC(=O)OCCOCCCC(C)C 7a_100000210774_100009813456 [0,2,0,0,0,0|1,0,1]=4 16769 B13R0.202 C=CC(=O)OCCSCCCC(C)C 62a_100009813456_100011214892 [0,2,0,0,0,0|1,0,1]=4 16770 B13R0.202 C=CC(=O)OCCSCCCC(C)C 62a_100011214892_100009813456 [0,2,0,0,0,0|1,0,1]=4 16771 B13R0.202 C=CC(=O)OCCSCCCC(C)O 62a_100009813456_200000718107 [0,2,0,0,0,0|1,0,1]=4 16772 B13R0.202 C=CC(=O)OCCSCCCC(C)O 62a_200000718107_100009813456 [0,2,0,0,0,0|1,0,1]=4 16773 B13R0.202 C=CC(C)COCCCCOC(=O)C 34a_100011215527_100000033659 [0,2,0,0,0,0|1,0,0]=3 16774 B13R0.202 C=CC(C)COCCCCOC(=O)C 7a_100011215527_100000033659 [0,2,0,0,0,0|1,0,0]=3 16775 B13R0.202 C=CC(C)COCCCCSC(=O)C 34a_100011215527_200010402107 [0,2,0,0,0,0|1,1,0]=4 16776 B13R0.202 C=CC(C)COCCCCSC(=O)C 7a_100011215527_200010402107 [0,2,0,0,0,0|1,1,0]=4 16777 B13R0.202 C=CC(C)COCOCCOC(=O)C 34a_100011215527_100000076355 [0,2,0,0,0,0|2,0,0]=4 16778 B13R0.202 C=CC(C)OCCCCCOC(=O)C 34a_100000695699_100000033007 [0,2,0,0,0,0|1,0,0]=3 16779 B13R0.202 C=CC(C)OCCOCCOC(=O)C 34a_100000695699_200000083610 [0,2,0,0,0,0|2,0,0]=4 16780 B13R0.202 C=CC(C)SCCCCCOC(=O)C 62a_100011215867_100000033007 [0,2,0,0,0,0|1,0,0]=3 16781 B13R0.202 C=CC(C)SCCOCCOC(=O)C 62a_100011215867_200000083610 [0,2,0,0,0,0|2,0,0]=4 16782 B13R0.202 C=CC(O)COCCCCOC(=O)C 34a_100000073216_100000730141 [0,2,0,0,0,0|0,0,2]=4 16783 B13R0.202 C=CC(O)COCCCCOC(=O)C 7a_100000073216_100000730141 [0,2,0,0,0,0|0,0,2]=4 16784 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000033659_100000730141 [0,2,0,0,0,0|0,0,2]=4 16785 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000730141_100000033659 [0,2,0,0,0,0|0,0,2]=4 16786 B13R0.202 C=C[C@H](N)COCCCCOC(=O)C 34a_100016989147_100000033659 [0,2,0,0,0,0|0,0,2]=4 16787 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,2,0,0,0,0|2,0,0]=4 16788 B13R0.202 CC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000685027 [0,2,0,0,0,0|2,0,0]=4 16789 B13R0.202 CC(=O)NCCCCCNC(C)C#N 2230a_200012022750_100000184139 [0,2,0,0,0,0|2,0,0]=4 16790 B13R0.202 CC(=O)NCCCCCNC(C)CO 2230a_200012022750_100012180447 [0,2,0,0,0,0|2,0,0]=4 16791 B13R0.202 CC(=O)NCCCCCNC(C)CO 34a_200012022750_100012180447 [0,2,0,0,0,0|2,0,0]=4 16792 B13R0.202 CC(=O)NCCCCNCC(O)CO 2230a_200011368371_100011219619 [0,2,0,0,0,0|2,0,0]=4 16793 B13R0.202 CC(=O)NCCCCNCC(O)CO 34a_200011368371_100011219619 [0,2,0,0,0,0|2,0,0]=4 16794 B13R0.202 CC(=O)NCCCCNC[C@@H](C)CO 2230a_200011368371_100000059175 [0,2,0,0,0,0|2,0,0]=4 16795 B13R0.202 CC(=O)NCCCCNC[C@@H](C)CO 34a_200011368371_100000059175 [0,2,0,0,0,0|2,0,0]=4 16796 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CF 2230a_200011368371_100015614560 [0,2,0,0,0,0|2,0,0]=4 16797 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CF 34a_200011368371_100015614560 [0,2,0,0,0,0|2,0,0]=4 16798 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CO 2230a_200011368371_100009815848 [0,2,0,0,0,0|2,0,0]=4 16799 B13R0.202 CC(=O)NCCCCNC[C@@H](O)CO 34a_200011368371_100009815848 [0,2,0,0,0,0|2,0,0]=4 16800 B13R0.202 CC(=O)OCCCCCNC(C)C#N 2230a_100000737613_100009813381 [0,2,0,0,0,0|1,0,0]=3 16801 B13R0.202 CC(=O)OCCCCCN[C@H](C)CO 2230a_100000737577_100009813381 [0,2,0,0,0,0|1,0,0]=3 16802 B13R0.202 CC(=O)OCCCCCOC(C)C#N 34a_100011218135_100000033007 [0,2,0,0,0,0|1,0,0]=3 16803 B13R0.202 CC(=O)OCCCCCOC(C)CF 34a_100016041109_100000033007 [0,2,0,0,0,0|1,0,0]=3 16804 B13R0.202 CC(=O)OCCCCCOC(C)CF 7a_100016041109_100000033007 [0,2,0,0,0,0|1,0,0]=3 16805 B13R0.202 CC(=O)OCCCCCOC(C)CN 34a_100000210904_100000033007 [0,2,0,0,0,0|1,0,0]=3 16806 B13R0.202 CC(=O)OCCCCCSC(C)C#N 62a_100000033007_100000703298 [0,2,0,0,0,0|1,0,0]=3 16807 B13R0.202 CC(=O)OCCCCCSC(C)C#N 62a_100000703298_100000033007 [0,2,0,0,0,0|1,0,0]=3 16808 B13R0.202 CC(=O)OCCCCCSC(C)CO 62a_100012180447_100000033007 [0,2,0,0,0,0|1,0,0]=3 16809 B13R0.202 CC(=O)OCCCCCSC(F)C#N 62a_100000033007_200000117898 [0,2,0,0,0,0|1,0,1]=4 16810 B13R0.202 CC(=O)OCCCCCSC(F)C#N 62a_200000117898_100000033007 [0,2,0,0,0,0|1,0,1]=4 16811 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100000033007_100016084084 [0,2,0,0,0,0|1,0,0]=3 16812 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100016084084_100000033007 [0,2,0,0,0,0|1,0,0]=3 16813 B13R0.202 CC(=O)OCCCCNCC(C)CO 34a_100000744482_100000033659 [0,2,0,0,0,0|1,0,0]=3 16814 B13R0.202 CC(=O)OCCCCNC[C@@H](F)CO 34a_100015665980_100000033659 [0,2,0,0,0,0|1,0,0]=3 16815 B13R0.202 CC(=O)OCCCCOCC(C)CN 34a_100000744482_100000033659 [0,2,0,0,0,0|1,0,0]=3 16816 B13R0.202 CC(=O)OCCCCOCC(Cl)CCl 34a_100000033668_100000033659 [0,2,0,0,0,0|1,0,0]=3 16817 B13R0.202 CC(=O)OCCCCOCC(O)CO 34a_100000073216_100011219619 [0,2,0,0,0,0|1,0,0]=3 16818 B13R0.202 CC(=O)OCCCCOCC(O)CO 7a_100000073216_100011219619 [0,2,0,0,0,0|1,0,0]=3 16819 B13R0.202 CC(=O)OCCCCOC[C@@H](C)CO 34a_100000073216_100000059175 [0,2,0,0,0,0|1,0,0]=3 16820 B13R0.202 CC(=O)OCCCCOC[C@@H](C)CO 7a_100000073216_100000059175 [0,2,0,0,0,0|1,0,0]=3 16821 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CF 34a_100000073216_100015614560 [0,2,0,0,0,0|1,0,0]=3 16822 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CF 7a_100000073216_100015614560 [0,2,0,0,0,0|1,0,0]=3 16823 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CO 34a_100000073216_100009815848 [0,2,0,0,0,0|1,0,0]=3 16824 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CO 7a_100000073216_100009815848 [0,2,0,0,0,0|1,0,0]=3 16825 B13R0.202 CC(=O)OCCCCOC[C@H](F)CN 34a_100015665980_100000033659 [0,2,0,0,0,0|1,0,0]=3 16826 B13R0.202 CC(=O)OCCCCSCC(O)CO 62a_100000033659_100011219619 [0,2,0,0,0,0|1,0,0]=3 16827 B13R0.202 CC(=O)OCCCCSCC(O)CO 62a_100011219619_100000033659 [0,2,0,0,0,0|1,0,0]=3 16828 B13R0.202 CC(=O)OCCCCSC[C@@H](C)CO 62a_100000033659_100000059175 [0,2,0,0,0,0|1,0,0]=3 16829 B13R0.202 CC(=O)OCCCCSC[C@@H](C)CO 62a_100000059175_100000033659 [0,2,0,0,0,0|1,0,0]=3 16830 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CF 62a_100000033659_100015614560 [0,2,0,0,0,0|1,0,0]=3 16831 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CF 62a_100015614560_100000033659 [0,2,0,0,0,0|1,0,0]=3 16832 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CO 62a_100000033659_100009815848 [0,2,0,0,0,0|1,0,0]=3 16833 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CO 62a_100009815848_100000033659 [0,2,0,0,0,0|1,0,0]=3 16834 B13R0.202 CC(=O)OCCCNCCC(C)CO 34a_106354213184_100000042594 [0,2,0,0,0,0|1,0,0]=3 16835 B13R0.202 CC(=O)OCCOCCC[C@@H](C)CN 34a_100160569302_100009814007 [0,2,0,0,0,0|1,0,0]=3 16836 B13R0.202 CC(=O)OCCOCCNC(C)C#N 2230a_100000737613_200000083610 [0,2,0,0,0,0|2,0,0]=4 16837 B13R0.202 CC(=O)OCCOCCN[C@H](C)CO 2230a_100000737577_200000083610 [0,2,0,0,0,0|2,0,0]=4 16838 B13R0.202 CC(=O)OCCOCCOC(C)C#N 34a_100011218135_200000083610 [0,2,0,0,0,0|2,0,0]=4 16839 B13R0.202 CC(=O)OCCOCCOC(C)CF 34a_100016041109_200000083610 [0,2,0,0,0,0|2,0,0]=4 16840 B13R0.202 CC(=O)OCCOCCOC(C)CF 7a_100016041109_200000083610 [0,2,0,0,0,0|2,0,0]=4 16841 B13R0.202 CC(=O)OCCOCCOC(C)CN 34a_100000210904_200000083610 [0,2,0,0,0,0|2,0,0]=4 16842 B13R0.202 CC(=O)OCCOCCSC(C)C#N 62a_100000703298_200000083610 [0,2,0,0,0,0|2,0,0]=4 16843 B13R0.202 CC(=O)OCCOCCSC(C)C#N 62a_200000083610_100000703298 [0,2,0,0,0,0|2,0,0]=4 16844 B13R0.202 CC(=O)OCCOCCSC(C)CO 62a_100012180447_200000083610 [0,2,0,0,0,0|2,0,0]=4 16845 B13R0.202 CC(=O)OCCOCCS[C@H](C)CO 62a_100016084084_200000083610 [0,2,0,0,0,0|2,0,0]=4 16846 B13R0.202 CC(=O)OCCOCCS[C@H](C)CO 62a_200000083610_100016084084 [0,2,0,0,0,0|2,0,0]=4 16847 B13R0.202 CC(=O)OCCOCNCC(C)CO 34a_100000744482_100000076355 [0,2,0,0,0,0|2,0,0]=4 16848 B13R0.202 CC(=O)OCCOCNC[C@@H](F)CO 34a_100015665980_100000076355 [0,2,0,0,0,0|2,0,0]=4 16849 B13R0.202 CC(=O)OCCOCOCC(C)CN 34a_100000744482_100000076355 [0,2,0,0,0,0|2,0,0]=4 16850 B13R0.202 CC(=O)OCCOCOCC(Cl)CCl 34a_100000033668_100000076355 [0,2,0,0,0,0|2,0,0]=4 16851 B13R0.202 CC(=O)OCCOCOC[C@H](F)CN 34a_100015665980_100000076355 [0,2,0,0,0,0|2,0,0]=4 16852 B13R0.202 CC(=O)OCCOCSCC(O)CO 62a_100000076355_100011219619 [0,2,0,0,0,0|2,0,0]=4 16853 B13R0.202 CC(=O)OCCOCSCC(O)CO 62a_100011219619_100000076355 [0,2,0,0,0,0|2,0,0]=4 16854 B13R0.202 CC(=O)OCCOCSC[C@@H](C)CO 62a_100000059175_100000076355 [0,2,0,0,0,0|2,0,0]=4 16855 B13R0.202 CC(=O)OCCOCSC[C@@H](C)CO 62a_100000076355_100000059175 [0,2,0,0,0,0|2,0,0]=4 16856 B13R0.202 CC(=O)OCCOCSC[C@@H](O)CF 62a_100000076355_100015614560 [0,2,0,0,0,0|2,0,0]=4 16857 B13R0.202 CC(=O)OCCOCSC[C@@H](O)CF 62a_100015614560_100000076355 [0,2,0,0,0,0|2,0,0]=4 16858 B13R0.202 CC(=O)OCCOCSC[C@@H](O)CO 62a_100000076355_100009815848 [0,2,0,0,0,0|2,0,0]=4 16859 B13R0.202 CC(=O)OCCOCSC[C@@H](O)CO 62a_100009815848_100000076355 [0,2,0,0,0,0|2,0,0]=4 16860 B13R0.202 CC(=O)SCCCCNCC(C)CO 34a_100000744482_200010402107 [0,2,0,0,0,0|1,1,0]=4 16861 B13R0.202 CC(=O)SCCCCNC[C@@H](F)CO 34a_100015665980_200010402107 [0,2,0,0,0,0|1,1,0]=4 16862 B13R0.202 CC(=O)SCCCCNC[C@H](O)CO 2230a_100020644852_200010402107 [0,2,0,0,0,0|1,1,0]=4 16863 B13R0.202 CC(=O)SCCCCOCC(C)CN 34a_100000744482_200010402107 [0,2,0,0,0,0|1,1,0]=4 16864 B13R0.202 CC(=O)SCCCCOCC(Cl)CCl 34a_100000033668_200010402107 [0,2,0,0,0,0|1,1,0]=4 16865 B13R0.202 CC(=O)SCCCCOC[C@H](F)CN 34a_100015665980_200010402107 [0,2,0,0,0,0|1,1,0]=4 16866 B13R0.202 CC(=O)SCCCCSCC(O)CO 62a_100011219619_200010402107 [0,2,0,0,0,0|1,1,0]=4 16867 B13R0.202 CC(=O)SCCCCSCC(O)CO 62a_200010402107_100011219619 [0,2,0,0,0,0|1,1,0]=4 16868 B13R0.202 CC(=O)SCCCCSC[C@@H](C)CO 62a_100000059175_200010402107 [0,2,0,0,0,0|1,1,0]=4 16869 B13R0.202 CC(=O)SCCCCSC[C@@H](C)CO 62a_200010402107_100000059175 [0,2,0,0,0,0|1,1,0]=4 16870 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CF 62a_100015614560_200010402107 [0,2,0,0,0,0|1,1,0]=4 16871 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CF 62a_200010402107_100015614560 [0,2,0,0,0,0|1,1,0]=4 16872 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CO 62a_100009815848_200010402107 [0,2,0,0,0,0|1,1,0]=4 16873 B13R0.202 CC(=O)SCCCCSC[C@@H](O)CO 62a_200010402107_100009815848 [0,2,0,0,0,0|1,1,0]=4 16874 B13R0.202 CC(=O)SCCCNCCC(C)CO 2230a_106354213184_100000038929 [0,2,0,0,0,0|1,1,0]=4 16875 B13R0.202 CC(=O)SCCCNCCC(C)CO 34a_106354213184_100000038929 [0,2,0,0,0,0|1,1,0]=4 16876 B13R0.202 CC(=S)OCCCNCCC(C)CO 2230a_106354213184_200135323944 [0,2,0,0,0,0|1,1,0]=4 16877 B13R0.202 CC(=S)OCCCNCCC(C)CO 34a_106354213184_200135323944 [0,2,0,0,0,0|1,1,0]=4 16878 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 16879 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 16880 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [0,2,0,0,0,0|2,0,0]=4 16881 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [0,2,0,0,0,0|2,0,0]=4 16882 B13R0.202 CCC(=O)COCCCCOC(=O)C 34a_100000725409_100000033659 [0,2,0,0,0,0|0,0,1]=3 16883 B13R0.202 CCC(=O)COCCCCOC(=O)C 7a_100000073216_100000747405 [0,2,0,0,0,0|0,0,1]=3 16884 B13R0.202 CCC(=O)COCCCCSC(=O)C 34a_100000725409_200010402107 [0,2,0,0,0,0|0,1,1]=4 16885 B13R0.202 CCC(=O)COCOCCOC(=O)C 34a_100000725409_100000076355 [0,2,0,0,0,0|1,0,1]=4 16886 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [0,2,0,0,0,0|2,0,0]=4 16887 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [0,2,0,0,0,0|2,0,0]=4 16888 B13R0.202 CCC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747405 [0,2,0,0,0,0|0,0,1]=3 16889 B13R0.202 CCC(=O)CSCCCCOC(=O)C 62a_100000747405_100000033659 [0,2,0,0,0,0|0,0,1]=3 16890 B13R0.202 CCC(=O)CSCCCCSC(=O)C 62a_100000747405_200010402107 [0,2,0,0,0,0|0,1,1]=4 16891 B13R0.202 CCC(=O)CSCCCCSC(=O)C 62a_200010402107_100000747405 [0,2,0,0,0,0|0,1,1]=4 16892 B13R0.202 CCC(=O)CSCOCCOC(=O)C 62a_100000076355_100000747405 [0,2,0,0,0,0|1,0,1]=4 16893 B13R0.202 CCC(=O)CSCOCCOC(=O)C 62a_100000747405_100000076355 [0,2,0,0,0,0|1,0,1]=4 16894 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 16895 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 16896 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 16897 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 16898 B13R0.202 CCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210414 [0,2,0,0,0,0|2,0,0]=4 16899 B13R0.202 CCC(=O)NCCCCCNC(=O)C 1626a_200012022750_100000210414 [0,2,0,0,0,0|1,0,1]=4 16900 B13R0.202 CCC(=O)NCCCCCNC(=O)C 240690a_200012022750_100000210414 [0,2,0,0,0,0|1,0,1]=4 16901 B13R0.202 CCC(=O)NCCCCCNC(=O)C 527a_200012022750_100000210414 [0,2,0,0,0,0|1,0,1]=4 16902 B13R0.202 CCC(=O)NCCNCCCC(C)C 34a_100132302217_100011214892 [0,2,0,0,0,0|2,0,0]=4 16903 B13R0.202 CCC(=O)NCCNCCCC(C)O 34a_100132302217_200000718107 [0,2,0,0,0,0|2,0,0]=4 16904 B13R0.202 CCC(=O)NCCNCCOC(=O)C 34a_100132302217_100009814007 [0,2,0,0,0,0|1,0,1]=4 16905 B13R0.202 CCC(=O)NCCOCCCC(C)C 34a_200000158885_100011214892 [0,2,0,0,0,0|2,0,0]=4 16906 B13R0.202 CCC(=O)NCCOCCCC(C)C 7a_200000158885_100011214892 [0,2,0,0,0,0|2,0,0]=4 16907 B13R0.202 CCC(=O)NCCOCCCC(C)O 34a_200000158885_200000718107 [0,2,0,0,0,0|2,0,0]=4 16908 B13R0.202 CCC(=O)NCCOCCCC(C)O 7a_200000158885_200000718107 [0,2,0,0,0,0|2,0,0]=4 16909 B13R0.202 CCC(=O)NCCOCCOC(=O)C 34a_200000158885_100009814007 [0,2,0,0,0,0|1,0,1]=4 16910 B13R0.202 CCC(=O)NCCOCCOC(=O)C 7a_200000158885_100009814007 [0,2,0,0,0,0|1,0,1]=4 16911 B13R0.202 CCC(=O)OCCOCCCC(=O)C 7a_200000031056_100011215641 [0,2,0,0,0,0|1,0,1]=4 16912 B13R0.202 CCC(=O)OCCOCCCC(C)C 7a_200000031056_100011214892 [0,2,0,0,0,0|1,0,0]=3 16913 B13R0.202 CCC(=O)OCCOCCCC(C)O 7a_200000031056_200000718107 [0,2,0,0,0,0|1,0,0]=3 16914 B13R0.202 CCC(=O)OCCOCCCN(C)C 7a_200000031056_100000757444 [0,2,0,0,0,0|2,0,0]=4 16915 B13R0.202 CCC(=O)OCCOCCOC(=O)C 7a_200000031056_100009814007 [0,2,0,0,0,0|1,0,1]=4 16916 B13R0.202 CCC(=O)OCCOCCOC(C)C 7a_200000031056_100000211751 [0,2,0,0,0,0|2,0,0]=4 16917 B13R0.202 CCC(=O)OCCOCCSC(C)C 7a_200000031056_100000730970 [0,2,0,0,0,0|2,0,0]=4 16918 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,2,0,0,0,0|1,0,0]=3 16919 B13R0.202 CCC(C)CCCCCOCC(C)C 7a_200000035636_100000210760 [0,2,0,0,0,0|1,0,1]=4 16920 B13R0.202 CCC(C)CCCCCOCC(C)O 7a_200000035636_100011218427 [0,2,0,0,0,0|0,0,2]=4 16921 B13R0.202 CCC(C)CCCCCOC[C@@H](C)O 7a_200000035636_100009817552 [0,2,0,0,0,0|0,0,2]=4 16922 B13R0.202 CCC(C)CCCOCCC=C(C)C 7a_100011216074_100011217483 [0,2,0,0,0,0|2,0,0]=4 16923 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [0,2,0,0,0,0|1,0,0]=3 16924 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [0,2,0,0,0,0|2,0,0]=4 16925 B13R0.202 CCC(C)CCCOCCNC(=O)C 7a_100011216074_100000189650 [0,2,0,0,0,0|1,0,0]=3 16926 B13R0.202 CCC(C)CCCOCCNC(=O)N 7a_100011216074_200000034859 [0,2,0,0,0,0|2,0,0]=4 16927 B13R0.202 CCC(C)CCCOCCOC(=O)C 7a_100011216074_100009814007 [0,2,0,0,0,0|0,0,0]=2 16928 B13R0.202 CCC(C)CCCOCCOC(=O)N 7a_100011216074_200011214921 [0,2,0,0,0,0|1,0,0]=3 16929 B13R0.202 CCC(C)CCCOCCOC(C)C 7a_100011216074_100000211751 [0,2,0,0,0,0|1,0,1]=4 16930 B13R0.202 CCC(C)CCNCCCOC(=S)C 2230a_100020591266_200135323944 [0,2,0,0,0,0|0,1,0]=3 16931 B13R0.202 CCC(C)CCNCCCSC(=O)C 2230a_100020591266_100000038929 [0,2,0,0,0,0|0,1,0]=3 16932 B13R0.202 CCC(C)CCNCCOCC(=O)N 2230a_100020591266_100000076697 [0,2,0,0,0,0|2,0,0]=4 16933 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [0,2,0,0,0,0|1,0,0]=3 16934 B13R0.202 CCC(C)CCOCCCOC(=O)C 7a_100011215188_100000042594 [0,2,0,0,0,0|0,0,0]=2 16935 B13R0.202 CCC(C)CCOCCCOC(=S)C 7a_100011215188_200135323944 [0,2,0,0,0,0|0,1,0]=3 16936 B13R0.202 CCC(C)CCOCCCSC(=O)C 7a_100011215188_100000038929 [0,2,0,0,0,0|0,1,0]=3 16937 B13R0.202 CCC(C)CCOCCOCC(=O)N 7a_100011215188_100000076697 [0,2,0,0,0,0|2,0,0]=4 16938 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [0,2,0,0,0,0|2,0,0]=4 16939 B13R0.202 CCC(C)CNCCCCNC(=O)C 2230a_200011368371_100000748023 [0,2,0,0,0,0|1,0,0]=3 16940 B13R0.202 CCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243153 [0,2,0,0,0,0|1,0,0]=3 16941 B13R0.202 CCC(C)CNCCCCNC(=O)C 34a_200011368371_100000748023 [0,2,0,0,0,0|1,0,0]=3 16942 B13R0.202 CCC(C)CNCCCCSC(=O)C 2230a_100020588543_200010402107 [0,2,0,0,0,0|0,1,0]=3 16943 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [0,2,0,0,0,0|2,0,0]=4 16944 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [0,2,0,0,0,0|2,0,0]=4 16945 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [0,2,0,0,0,0|2,0,0]=4 16946 B13R0.202 CCC(C)COCCCCOC(=O)C 34a_100000073216_100000748023 [0,2,0,0,0,0|0,0,0]=2 16947 B13R0.202 CCC(C)COCCCCOC(=O)C 7a_100000073216_100000748023 [0,2,0,0,0,0|0,0,0]=2 16948 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [0,2,0,0,0,0|2,0,0]=4 16949 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [0,2,0,0,0,0|2,0,0]=4 16950 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000033659_100000748023 [0,2,0,0,0,0|0,0,0]=2 16951 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000748023_100000033659 [0,2,0,0,0,0|0,0,0]=2 16952 B13R0.202 CCC(C)CSCCCCO[N+](=O)[O-] 62a_100000748023_100015694321 [0,2,0,0,0,0|2,0,0]=4 16953 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_100000748023_200010402107 [0,2,0,0,0,0|0,1,0]=3 16954 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_200010402107_100000748023 [0,2,0,0,0,0|0,1,0]=3 16955 B13R0.202 CCC(C)CSCOCCOC(=O)C 62a_100000076355_100000748023 [0,2,0,0,0,0|1,0,0]=3 16956 B13R0.202 CCC(C)CSCOCCOC(=O)C 62a_100000748023_100000076355 [0,2,0,0,0,0|1,0,0]=3 16957 B13R0.202 CCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000758301 [0,2,0,0,0,0|1,0,0]=3 16958 B13R0.202 CCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215416 [0,2,0,0,0,0|1,0,0]=3 16959 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [0,2,0,0,0,0|0,0,0]=2 16960 B13R0.202 CCC(C)NCCOCCOC(=O)C 2230a_100000209981_200000083610 [0,2,0,0,0,0|1,0,0]=3 16961 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [0,2,0,0,0,0|0,0,0]=2 16962 B13R0.202 CCC(C)OCCOCCOC(=O)C 7a_100000210228_200000083610 [0,2,0,0,0,0|1,0,0]=3 16963 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [0,2,0,0,0,0|0,0,0]=2 16964 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [0,2,0,0,0,0|0,0,0]=2 16965 B13R0.202 CCC(C)SCCOCCOC(=O)C 62a_100000758301_200000083610 [0,2,0,0,0,0|1,0,0]=3 16966 B13R0.202 CCC(C)SCCOCCOC(=O)C 62a_200000083610_100000758301 [0,2,0,0,0,0|1,0,0]=3 16967 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [0,2,0,0,0,0|2,0,0]=4 16968 B13R0.202 CCC(O)CNCCCCNC(=O)C 2230a_200011368371_100011218378 [0,2,0,0,0,0|1,0,0]=3 16969 B13R0.202 CCC(O)CNCCCCNC(=O)C 34a_200011368371_100011218378 [0,2,0,0,0,0|1,0,0]=3 16970 B13R0.202 CCC(O)CNCCCCSC(=O)C 2230a_100011218483_200010402107 [0,2,0,0,0,0|0,1,0]=3 16971 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [0,2,0,0,0,0|2,0,0]=4 16972 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [0,2,0,0,0,0|2,0,0]=4 16973 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [0,2,0,0,0,0|2,0,0]=4 16974 B13R0.202 CCC(O)COCCCCOC(=O)C 34a_100000073216_100011218378 [0,2,0,0,0,0|0,0,0]=2 16975 B13R0.202 CCC(O)COCCCCOC(=O)C 7a_100000073216_100011218378 [0,2,0,0,0,0|0,0,0]=2 16976 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [0,2,0,0,0,0|2,0,0]=4 16977 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [0,2,0,0,0,0|2,0,0]=4 16978 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100000033659_100011218378 [0,2,0,0,0,0|0,0,0]=2 16979 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100011218378_100000033659 [0,2,0,0,0,0|0,0,0]=2 16980 B13R0.202 CCC(O)CSCCCCO[N+](=O)[O-] 62a_100011218378_100015694321 [0,2,0,0,0,0|2,0,0]=4 16981 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_100011218378_200010402107 [0,2,0,0,0,0|0,1,0]=3 16982 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_200010402107_100011218378 [0,2,0,0,0,0|0,1,0]=3 16983 B13R0.202 CCC(O)CSCOCCOC(=O)C 62a_100000076355_100011218378 [0,2,0,0,0,0|1,0,0]=3 16984 B13R0.202 CCC(O)CSCOCCOC(=O)C 62a_100011218378_100000076355 [0,2,0,0,0,0|1,0,0]=3 16985 B13R0.202 CCN(C)CCCNCCNC(=O)C 2230a_100000209853_100015186262 [0,2,0,0,0,0|2,0,0]=4 16986 B13R0.202 CCN(C)CCCOCCCC(=O)C 7a_100000759063_100015186262 [0,2,0,0,0,0|2,0,0]=4 16987 B13R0.202 CCN(C)CCCOCCOC(=O)N 7a_100000766696_100015186262 [0,2,0,0,0,0|2,0,0]=4 16988 B13R0.202 CCN(C)CCCSCCCC(=O)C 62a_100011215641_100015186262 [0,2,0,0,0,0|2,0,0]=4 16989 B13R0.202 CCN(C)CCCSCCNC(=O)C 62a_100000189650_100015186262 [0,2,0,0,0,0|2,0,0]=4 16990 B13R0.202 CCN(C)CCCSCCOC(=O)C 62a_100009814007_100015186262 [0,2,0,0,0,0|1,0,0]=3 16991 B13R0.202 CCN(C)CCCSCCOC(=O)N 62a_200011214921_100015186262 [0,2,0,0,0,0|2,0,0]=4 16992 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 2230a_200011368371_100009816398 [0,2,0,0,0,0|1,0,0]=3 16993 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 34a_200011368371_100009816398 [0,2,0,0,0,0|1,0,0]=3 16994 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [0,2,0,0,0,0|2,0,0]=4 16995 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [0,2,0,0,0,0|2,0,0]=4 16996 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [0,2,0,0,0,0|2,0,0]=4 16997 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [0,2,0,0,0,0|2,0,0]=4 16998 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 34a_100000073216_100009816398 [0,2,0,0,0,0|0,0,0]=2 16999 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100000073216_100009816398 [0,2,0,0,0,0|0,0,0]=2 17000 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100009816381_100000033659 [0,2,0,0,0,0|0,0,0]=2 17001 B13R0.202 CC[C@H](C)COCCCCO[N+](=O)[O-] 7a_100009816381_100015694321 [0,2,0,0,0,0|2,0,0]=4 17002 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 7a_100009816381_200010402107 [0,2,0,0,0,0|0,1,0]=3 17003 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [0,2,0,0,0,0|2,0,0]=4 17004 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [0,2,0,0,0,0|2,0,0]=4 17005 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100000033659_100009816398 [0,2,0,0,0,0|0,0,0]=2 17006 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100009816398_100000033659 [0,2,0,0,0,0|0,0,0]=2 17007 B13R0.202 CC[C@H](C)CSCCCCO[N+](=O)[O-] 62a_100009816398_100015694321 [0,2,0,0,0,0|2,0,0]=4 17008 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_100009816398_200010402107 [0,2,0,0,0,0|0,1,0]=3 17009 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_200010402107_100009816398 [0,2,0,0,0,0|0,1,0]=3 17010 B13R0.202 CC[C@H](C)CSCOCCOC(=O)C 62a_100000076355_100009816398 [0,2,0,0,0,0|1,0,0]=3 17011 B13R0.202 CC[C@H](C)CSCOCCOC(=O)C 62a_100009816398_100000076355 [0,2,0,0,0,0|1,0,0]=3 17012 B13R0.202 CN(C)CCCCCCNC(=O)CO 240690a_200011233508_100000210174 [0,2,0,0,0,0|2,0,0]=4 17013 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_100000740002_100011214892 [0,2,0,0,0,0|2,0,0]=4 17014 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_200000737386_100000741757 [0,2,0,0,0,0|2,0,0]=4 17015 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_100000740002_100011214892 [0,2,0,0,0,0|2,0,0]=4 17016 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_200000737386_100000741757 [0,2,0,0,0,0|2,0,0]=4 17017 B13R0.202 CNC(=O)CCCNCCCC(C)O 2230a_100000740002_200000718107 [0,2,0,0,0,0|2,0,0]=4 17018 B13R0.202 CNC(=O)CCCNCCCC(C)O 34a_100000740002_200000718107 [0,2,0,0,0,0|2,0,0]=4 17019 B13R0.202 CNC(=O)CCCNCCOC(=O)C 34a_100000740002_100009814007 [0,2,0,0,0,0|1,0,1]=4 17020 B13R0.202 CNC(=O)CCCOCCCC(C)C 34a_100000210774_100000741757 [0,2,0,0,0,0|2,0,0]=4 17021 B13R0.202 CNC(=O)CCCOCCCC(C)C 7a_100000210774_100000741757 [0,2,0,0,0,0|2,0,0]=4 17022 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100000741757_100011214892 [0,2,0,0,0,0|2,0,0]=4 17023 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100011214892_100000741757 [0,2,0,0,0,0|2,0,0]=4 17024 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_100000741757_200000718107 [0,2,0,0,0,0|2,0,0]=4 17025 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_200000718107_100000741757 [0,2,0,0,0,0|2,0,0]=4 17026 B13R0.202 CNC(=O)CCCSCCOC(=O)C 62a_100000741757_100009814007 [0,2,0,0,0,0|1,0,1]=4 17027 B13R0.202 CNC(=O)CCCSCCOC(=O)C 62a_100009814007_100000741757 [0,2,0,0,0,0|1,0,1]=4 17028 B13R0.202 CNC(=O)CCNCCCCC(C)C 2230a_100000738227_100011216152 [0,2,0,0,0,0|2,0,0]=4 17029 B13R0.202 CNC(=O)CCNCCCCC(C)C 34a_100000738227_100011216152 [0,2,0,0,0,0|2,0,0]=4 17030 B13R0.202 CNC(=O)CCNCCCOC(=O)C 34a_100000738227_100000042594 [0,2,0,0,0,0|1,0,1]=4 17031 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100000754576_100011216152 [0,2,0,0,0,0|2,0,0]=4 17032 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100011214890_100012179268 [0,2,0,0,0,0|2,0,0]=4 17033 B13R0.202 CNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737683 [0,2,0,0,0,0|2,0,0]=4 17034 B13R0.202 CNC(=O)CCOCCCOC(=O)C 34a_100000754576_100000042594 [0,2,0,0,0,0|1,0,1]=4 17035 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100000737683_100011216152 [0,2,0,0,0,0|2,0,0]=4 17036 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737683 [0,2,0,0,0,0|2,0,0]=4 17037 B13R0.202 CNC(=O)CCSCCCOC(=O)C 62a_100000042594_100000737683 [0,2,0,0,0,0|1,0,1]=4 17038 B13R0.202 CNC(=O)CCSCCCOC(=O)C 62a_100000737683_100000042594 [0,2,0,0,0,0|1,0,1]=4 17039 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100000693194_100000210682 [0,2,0,0,0,0|2,0,0]=4 17040 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183359 [0,2,0,0,0,0|2,0,0]=4 17041 B13R0.202 CNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183359 [0,2,0,0,0,0|2,0,0]=4 17042 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100000750040_100000210682 [0,2,0,0,0,0|2,0,0]=4 17043 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100011995859_100000183359 [0,2,0,0,0,0|2,0,0]=4 17044 B13R0.202 CNC(=O)COCCCCCC(C)C 7a_100011995859_100000183359 [0,2,0,0,0,0|2,0,0]=4 17045 B13R0.202 CNC(=O)COCCCCOC(=O)C 34a_100000073216_100000183359 [0,2,0,0,0,0|1,0,1]=4 17046 B13R0.202 CNC(=O)COCCCCOC(=O)C 34a_100000750040_100000033659 [0,2,0,0,0,0|1,0,1]=4 17047 B13R0.202 CNC(=O)COCCCCOC(=O)C 7a_100000073216_100000183359 [0,2,0,0,0,0|1,0,1]=4 17048 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000183359_100000210682 [0,2,0,0,0,0|2,0,0]=4 17049 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183359 [0,2,0,0,0,0|2,0,0]=4 17050 B13R0.202 CNC(=O)CSCCCCOC(=O)C 62a_100000033659_100000183359 [0,2,0,0,0,0|1,0,1]=4 17051 B13R0.202 CNC(=O)CSCCCCOC(=O)C 62a_100000183359_100000033659 [0,2,0,0,0,0|1,0,1]=4 17052 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100000211014_106832991635 [0,2,0,0,0,0|1,0,0]=3 17053 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100102657272_100000211014 [0,2,0,0,0,0|1,0,0]=3 17054 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100000211014_100102657272 [0,2,0,0,0,0|1,0,0]=3 17055 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100102657272_100000211014 [0,2,0,0,0,0|1,0,0]=3 17056 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_100000211014_100102657272 [0,2,0,0,0,0|1,0,0]=3 17057 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_106832991638_100000211014 [0,2,0,0,0,0|1,0,0]=3 17058 B13R0.202 CNC(=O)NCCCCCCN(C)C 2708a_100102657272_200011233508 [0,2,0,0,0,0|2,0,0]=4 17059 B13R0.202 CNC(=O)NCCCCCCN(C)C 2708a_200011233508_106832991635 [0,2,0,0,0,0|2,0,0]=4 17060 B13R0.202 CNC(=O)NCCCCCCN(C)C 273464a_100102657272_200011233508 [0,2,0,0,0,0|2,0,0]=4 17061 B13R0.202 CNC(=O)NCCCCCCN(C)C 273464a_200011233508_100102657272 [0,2,0,0,0,0|2,0,0]=4 17062 B13R0.202 CNC(=O)NCCCCCCN(C)C 512a_106832991638_200011233508 [0,2,0,0,0,0|2,0,0]=4 17063 B13R0.202 CNC(=O)NCCCCCCN(C)C 512a_200011233508_100102657272 [0,2,0,0,0,0|2,0,0]=4 17064 B13R0.202 CNC(=O)NCCNCCCC(C)C 34a_100015205895_100011214892 [0,2,0,0,0,0|2,0,0]=4 17065 B13R0.202 CNC(=O)NCCNCCCC(C)O 34a_100015205895_200000718107 [0,2,0,0,0,0|2,0,0]=4 17066 B13R0.202 CNC(=O)OCCNCCCC(C)C 34a_200000737386_200011997002 [0,2,0,0,0,0|1,0,0]=3 17067 B13R0.202 CNC(=O)OCCNCCOC(C)C 34a_100000701111_200011997002 [0,2,0,0,0,0|2,0,0]=4 17068 B13R0.202 CNC(=O)OCCNCCSC(C)C 34a_100000731138_200011997002 [0,2,0,0,0,0|2,0,0]=4 17069 B13R0.202 CNC(=O)OCCOCCCC(=O)C 34a_100000759063_200011997002 [0,2,0,0,0,0|1,0,1]=4 17070 B13R0.202 CNC(=O)OCCOCCCC(=O)C 7a_100000759063_200011997002 [0,2,0,0,0,0|1,0,1]=4 17071 B13R0.202 CNC(=O)OCCOCCCC(C)C 34a_100000210774_200011997002 [0,2,0,0,0,0|1,0,0]=3 17072 B13R0.202 CNC(=O)OCCOCCCC(C)C 7a_100000210774_200011997002 [0,2,0,0,0,0|1,0,0]=3 17073 B13R0.202 CNC(=O)OCCOCCNC(C)C 34a_100000224655_200011997002 [0,2,0,0,0,0|2,0,0]=4 17074 B13R0.202 CNC(=O)OCCOCCOC(C)C 34a_100000211219_200011997002 [0,2,0,0,0,0|2,0,0]=4 17075 B13R0.202 CNC(=O)OCCOCCOC(C)C 7a_100000211219_200011997002 [0,2,0,0,0,0|2,0,0]=4 17076 B13R0.202 CNC(=O)OCCOCCSC(C)C 34a_200011212901_200011997002 [0,2,0,0,0,0|2,0,0]=4 17077 B13R0.202 CNC(=O)OCCOCCSC(C)C 7a_200011212901_200011997002 [0,2,0,0,0,0|2,0,0]=4 17078 B13R0.202 CNC(=O)OCCSCCCC(=O)C 62a_100011215641_200011997002 [0,2,0,0,0,0|1,0,1]=4 17079 B13R0.202 CNC(=O)OCCSCCCC(=O)C 62a_200011997002_100011215641 [0,2,0,0,0,0|1,0,1]=4 17080 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_100011214892_200011997002 [0,2,0,0,0,0|1,0,0]=3 17081 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_200011997002_100011214892 [0,2,0,0,0,0|1,0,0]=3 17082 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200000718107_200011997002 [0,2,0,0,0,0|1,0,0]=3 17083 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200011997002_200000718107 [0,2,0,0,0,0|1,0,0]=3 17084 B13R0.202 CNC(=O)OCCSCCCN(C)C 62a_200011997002_100000757444 [0,2,0,0,0,0|2,0,0]=4 17085 B13R0.202 CNC(=O)OCCSCCOC(C)C 62a_100000211751_200011997002 [0,2,0,0,0,0|2,0,0]=4 17086 B13R0.202 CNC(=O)OCCSCCOC(C)C 62a_200011997002_100000211751 [0,2,0,0,0,0|2,0,0]=4 17087 B13R0.202 CNC(=O)OCCSCCSC(C)C 62a_100000730970_200011997002 [0,2,0,0,0,0|2,0,0]=4 17088 B13R0.202 CNC(=O)OCCSCCSC(C)C 62a_200011997002_100000730970 [0,2,0,0,0,0|2,0,0]=4 17089 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|1,0,1]=4 17090 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|1,0,1]=4 17091 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|1,0,1]=4 17092 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,2,0,0,0,0|2,0,0]=4 17093 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,2,0,0,0,0|2,0,0]=4 17094 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [0,2,0,0,0,0|1,0,1]=4 17095 B13R0.202 COC(=O)CCCCCCNC(C)C 2230a_100138425928_100009815986 [0,2,0,0,0,0|2,0,0]=4 17096 B13R0.202 COC(=O)CCCCCCNC(C)C 34a_100138425928_100009815986 [0,2,0,0,0,0|2,0,0]=4 17097 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100000212225_100009815986 [0,2,0,0,0,0|2,0,0]=4 17098 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100009863599_100000210206 [0,2,0,0,0,0|2,0,0]=4 17099 B13R0.202 COC(=O)CCCCCCOC(C)C 7a_100009863599_100000210206 [0,2,0,0,0,0|2,0,0]=4 17100 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100000210206_100009815986 [0,2,0,0,0,0|2,0,0]=4 17101 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100009815986_100000210206 [0,2,0,0,0,0|2,0,0]=4 17102 B13R0.202 COC(=O)CCCCCNCC(C)C 2230a_100000210953_100009816466 [0,2,0,0,0,0|2,0,0]=4 17103 B13R0.202 COC(=O)CCCCCNCC(C)C 34a_100000210953_100009816466 [0,2,0,0,0,0|2,0,0]=4 17104 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [0,2,0,0,0,0|2,0,0]=4 17105 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [0,2,0,0,0,0|2,0,0]=4 17106 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [0,2,0,0,0,0|1,0,1]=4 17107 B13R0.202 COC(=O)CCCCCOCC(C)Br 34a_100012180447_100009816466 [0,2,0,0,0,0|2,0,0]=4 17108 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000074720_100000210624 [0,2,0,0,0,0|2,0,0]=4 17109 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000210257_100009816466 [0,2,0,0,0,0|2,0,0]=4 17110 B13R0.202 COC(=O)CCCCCOCC(C)C 7a_100000074720_100000210760 [0,2,0,0,0,0|2,0,0]=4 17111 B13R0.202 COC(=O)CCCCCOCC(C)F 34a_100015925927_100009816466 [0,2,0,0,0,0|2,0,0]=4 17112 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [0,2,0,0,0,0|2,0,0]=4 17113 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [0,2,0,0,0,0|2,0,0]=4 17114 B13R0.202 COC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100009816466 [0,2,0,0,0,0|2,0,0]=4 17115 B13R0.202 COC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100009816466 [0,2,0,0,0,0|2,0,0]=4 17116 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [0,2,0,0,0,0|2,0,0]=4 17117 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [0,2,0,0,0,0|2,0,0]=4 17118 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100000210624_100009816466 [0,2,0,0,0,0|2,0,0]=4 17119 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100009816466_100000210760 [0,2,0,0,0,0|2,0,0]=4 17120 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [0,2,0,0,0,0|2,0,0]=4 17121 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [0,2,0,0,0,0|2,0,0]=4 17122 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [0,2,0,0,0,0|2,0,0]=4 17123 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [0,2,0,0,0,0|2,0,0]=4 17124 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [0,2,0,0,0,0|2,0,0]=4 17125 B13R0.202 COC(=O)CCCCOCCC(C)Br 34a_100009893172_100000204269 [0,2,0,0,0,0|2,0,0]=4 17126 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000059025_100000210312 [0,2,0,0,0,0|2,0,0]=4 17127 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000210254_100000204269 [0,2,0,0,0,0|2,0,0]=4 17128 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000059025_100000210626 [0,2,0,0,0,0|2,0,0]=4 17129 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000210254_100000204269 [0,2,0,0,0,0|2,0,0]=4 17130 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [0,2,0,0,0,0|2,0,0]=4 17131 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [0,2,0,0,0,0|2,0,0]=4 17132 B13R0.202 COC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000204269 [0,2,0,0,0,0|2,0,0]=4 17133 B13R0.202 COC(=O)CCCCOCOC(=O)C 34a_100000059025_100009813279 [0,2,0,0,0,0|1,0,1]=4 17134 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000204269_100000210312 [0,2,0,0,0,0|2,0,0]=4 17135 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000210312_100000204269 [0,2,0,0,0,0|2,0,0]=4 17136 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [0,2,0,0,0,0|2,0,0]=4 17137 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [0,2,0,0,0,0|2,0,0]=4 17138 B13R0.202 COC(=O)CCCCSCOC(=O)C 62a_100000076356_100000204269 [0,2,0,0,0,0|1,0,1]=4 17139 B13R0.202 COC(=O)CCCCSCOC(=O)C 62a_100000204269_100000076356 [0,2,0,0,0,0|1,0,1]=4 17140 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [0,2,0,0,0,0|2,0,0]=4 17141 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [0,2,0,0,0,0|2,0,0]=4 17142 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [0,2,0,0,0,0|2,0,0]=4 17143 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [0,2,0,0,0,0|2,0,0]=4 17144 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [0,2,0,0,0,0|2,0,0]=4 17145 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [0,2,0,0,0,0|2,0,0]=4 17146 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,2,0,0,0,0|2,0,0]=4 17147 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,2,0,0,0,0|2,0,0]=4 17148 B13R0.202 COC(=O)CCCSCCOC(=O)C 62a_100009814007_100011218270 [0,2,0,0,0,0|1,0,1]=4 17149 B13R0.202 COC(=O)CCCSCCOC(=O)C 62a_100011218270_100009814007 [0,2,0,0,0,0|1,0,1]=4 17150 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [0,2,0,0,0,0|2,0,0]=4 17151 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [0,2,0,0,0,0|2,0,0]=4 17152 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [0,2,0,0,0,0|2,0,0]=4 17153 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [0,2,0,0,0,0|2,0,0]=4 17154 B13R0.202 COC(=O)CCSCCCOC(=O)C 62a_100000042594_100000204255 [0,2,0,0,0,0|1,0,1]=4 17155 B13R0.202 COC(=O)CCSCCCOC(=O)C 62a_100000204255_100000042594 [0,2,0,0,0,0|1,0,1]=4 17156 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [0,2,0,0,0,0|2,0,0]=4 17157 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [0,2,0,0,0,0|2,0,0]=4 17158 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [0,2,0,0,0,0|2,0,0]=4 17159 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [0,2,0,0,0,0|2,0,0]=4 17160 B13R0.202 COC(=O)COCCCCOC(=O)C 34a_100000073216_100000747449 [0,2,0,0,0,0|1,0,1]=4 17161 B13R0.202 COC(=O)COCCCCOC(=O)C 7a_100000073216_100000747449 [0,2,0,0,0,0|1,0,1]=4 17162 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [0,2,0,0,0,0|2,0,0]=4 17163 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [0,2,0,0,0,0|2,0,0]=4 17164 B13R0.202 COC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747449 [0,2,0,0,0,0|1,0,1]=4 17165 B13R0.202 COC(=O)CSCCCCOC(=O)C 62a_100000747449_100000033659 [0,2,0,0,0,0|1,0,1]=4 17166 B13R0.202 COC(=O)NCCOCCCC(C)C 34a_100000757965_100011214892 [0,2,0,0,0,0|2,0,0]=4 17167 B13R0.202 COC(=O)NCCOCCCC(C)O 34a_100000757965_200000718107 [0,2,0,0,0,0|2,0,0]=4 17168 B13R0.202 COC(=O)OCCOCCCC(=O)C 34a_100010262106_100000685027 [0,2,0,0,0,0|1,0,1]=4 17169 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [0,2,0,0,0,0|1,0,0]=3 17170 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [0,2,0,0,0,0|1,0,0]=3 17171 B13R0.202 COC(=O)OCCOCCOC(C)C 34a_100010262106_100000211751 [0,2,0,0,0,0|2,0,0]=4 17172 B13R0.202 COC(=O)OCCOCCSC(C)C 34a_100010262106_100000730970 [0,2,0,0,0,0|2,0,0]=4 17173 B13R0.202 COC(=O)OCSCCCCC(=O)C 62a_100000735457_100000139417 [0,2,0,0,0,0|1,0,1]=4 17174 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [0,2,0,0,0,0|1,0,0]=3 17175 B13R0.202 COC(C)CCOCCCCC(=O)C 7a_100000764861_100000735457 [0,2,0,0,0,0|2,0,0]=4 17176 B13R0.202 COC(C)CCOCCCOC(=O)C 7a_100000764861_100000042594 [0,2,0,0,0,0|1,0,0]=3 17177 B13R0.202 COC(C)CCOCCCOC(=S)C 7a_100000764861_200135323944 [0,2,0,0,0,0|1,1,0]=4 17178 B13R0.202 COC(C)CCOCCCSC(=O)C 7a_100000764861_100000038929 [0,2,0,0,0,0|1,1,0]=4 17179 B13R0.202 COC(C)COCCCCOC(=O)C 34a_100000690652_100000033659 [0,2,0,0,0,0|1,0,0]=3 17180 B13R0.202 COC(C)COCCCCSC(=O)C 34a_100000690652_200010402107 [0,2,0,0,0,0|1,1,0]=4 17181 B13R0.202 COC(C)COCOCCOC(=O)C 34a_100000690652_100000076355 [0,2,0,0,0,0|2,0,0]=4 17182 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100000033007_100009879195 [0,2,0,0,0,0|1,0,0]=3 17183 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100009879195_100000033007 [0,2,0,0,0,0|1,0,0]=3 17184 B13R0.202 COC(C)SCCOCCOC(=O)C 62a_100009879195_200000083610 [0,2,0,0,0,0|2,0,0]=4 17185 B13R0.202 COC(C)SCCOCCOC(=O)C 62a_200000083610_100009879195 [0,2,0,0,0,0|2,0,0]=4 17186 B13R0.202 CO[C@H](C)CNCCCCSC(=O)C 2230a_100020591295_200010402107 [0,2,0,0,0,0|1,1,0]=4 17187 B13R0.202 C[C@@H](CN)CCCOCCOC(=O)N 34a_100160569302_200011214921 [0,2,0,0,0,0|2,0,0]=4 17188 B13R0.2 C#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000184674 [0,2,0,0,0,0|1,0,1]=4 17189 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|1,0,0]=3 17190 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|1,0,0]=3 17191 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,2,0,0,0,0|2,0,0]=4 17192 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,2,0,0,0,0|1,0,0]=3 17193 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,2,0,0,0,0|1,0,0]=3 17194 B13R0.2 C#CCC(=O)NCCCOCCCC 1626a_200000211371_100011220946 [0,2,0,0,0,0|2,0,0]=4 17195 B13R0.2 C#CCC(=O)NCCCOCCCC 527a_200000211371_100011220946 [0,2,0,0,0,0|2,0,0]=4 17196 B13R0.2 C#CCC(C)OCCCCCCCC 34a_100000685586_100000210759 [0,2,0,0,0,0|1,0,1]=4 17197 B13R0.2 C#CCC(C)OCCCCCCCC 7a_100000685586_100000210759 [0,2,0,0,0,0|1,0,1]=4 17198 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [0,2,0,0,0,0|1,0,1]=4 17199 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,2,0,0,0,0|1,0,1]=4 17200 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,0]=3 17201 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,0]=3 17202 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|2,0,0]=4 17203 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 17204 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 17205 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 17206 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|1,0,0]=3 17207 B13R0.2 C=CCC(=O)NCCCCCCCO 240690a_100011996573_100000210193 [0,2,0,0,0,0|2,0,0]=4 17208 B13R0.2 C=CCC(=O)NCCCOCCCC 1626a_200000211371_100000210193 [0,2,0,0,0,0|2,0,0]=4 17209 B13R0.2 C=CCC(=O)NCCCOCCCC 240690a_200000211371_100000210193 [0,2,0,0,0,0|2,0,0]=4 17210 B13R0.2 C=CCC(=O)NCCCOCCCC 527a_200000211371_100000210193 [0,2,0,0,0,0|2,0,0]=4 17211 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,2,0,0,0,0|1,0,1]=4 17212 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,2,0,0,0,0|1,0,1]=4 17213 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,2,0,0,0,0|1,0,0]=3 17214 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,2,0,0,0,0|2,0,0]=4 17215 B13R0.2 CC#CC(C)OCCCCCCCC 34a_100011216543_100000210759 [0,2,0,0,0,0|1,0,1]=4 17216 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,0]=3 17217 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|2,0,0]=4 17218 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 17219 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 17220 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 17221 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,2,0,0,0,0|2,0,0]=4 17222 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,2,0,0,0,0|2,0,0]=4 17223 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,2,0,0,0,0|2,0,0]=4 17224 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|2,0,0]=4 17225 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,2,0,0,0,0|2,0,0]=4 17226 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,2,0,0,0,0|2,0,0]=4 17227 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,2,0,0,0,0|2,0,0]=4 17228 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,2,0,0,0,0|2,0,0]=4 17229 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,2,0,0,0,0|2,0,0]=4 17230 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,2,0,0,0,0|2,0,0]=4 17231 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,2,0,0,0,0|2,0,0]=4 17232 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,2,0,0,0,0|2,0,0]=4 17233 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,2,0,0,0,0|2,0,0]=4 17234 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,2,0,0,0,0|2,0,0]=4 17235 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,2,0,0,0,0|2,0,0]=4 17236 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,2,0,0,0,0|2,0,0]=4 17237 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,2,0,0,0,0|2,0,0]=4 17238 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,2,0,0,0,0|2,0,0]=4 17239 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,2,0,0,0,0|2,0,0]=4 17240 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,2,0,0,0,0|2,0,0]=4 17241 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,2,0,0,0,0|2,0,0]=4 17242 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,2,0,0,0,0|1,0,1]=4 17243 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,1]=4 17244 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|1,0,1]=4 17245 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|1,0,1]=4 17246 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,1]=4 17247 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,1]=4 17248 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|1,0,1]=4 17249 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|1,0,1]=4 17250 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|1,0,1]=4 17251 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|1,0,1]=4 17252 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|1,0,0]=3 17253 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|1,0,0]=3 17254 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,0]=3 17255 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,0]=3 17256 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|1,0,0]=3 17257 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|1,0,0]=3 17258 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|1,0,0]=3 17259 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|1,0,0]=3 17260 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|1,0,0]=3 17261 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 17262 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 17263 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 17264 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,2,0,0,0,0|1,0,0]=3 17265 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|2,0,0]=4 17266 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|2,0,0]=4 17267 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 17268 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 17269 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 17270 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 17271 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 17272 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,2,0,0,0,0|1,0,1]=4 17273 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,2,0,0,0,0|1,0,0]=3 17274 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,2,0,0,0,0|1,0,0]=3 17275 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 17276 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 17277 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 17278 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 17279 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|1,0,0]=3 17280 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 17281 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 17282 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 17283 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 17284 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 17285 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 17286 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 17287 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,2,0,0,0,0|1,0,0]=3 17288 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 17289 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 17290 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 17291 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 17292 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 17293 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 17294 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,2,0,0,0,0|1,0,0]=3 17295 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,2,0,0,0,0|1,0,0]=3 17296 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,2,0,0,0,0|1,0,0]=3 17297 B13R0.2 CCCCCCCCOC(C)CC#N 7a_100000210232_100009813641 [0,2,0,0,0,0|1,0,1]=4 17298 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,2,0,0,0,0|1,0,1]=4 17299 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,2,0,0,0,0|1,0,1]=4 17300 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,2,0,0,0,0|1,0,1]=4 17301 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,2,0,0,0,0|1,0,1]=4 17302 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,2,0,0,0,0|1,0,1]=4 17303 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 17304 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 17305 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,2,0,0,0,0|0,0,2]=4 17306 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,2,0,0,0,0|0,0,2]=4 17307 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,2,0,0,0,0|0,0,2]=4 17308 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|2,0,0]=4 17309 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,2,0,0,0,0|2,0,0]=4 17310 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,2,0,0,0,0|2,0,0]=4 17311 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|2,0,0]=4 17312 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|2,0,0]=4 17313 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|2,0,0]=4 17314 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,2,0,0,0,0|2,0,0]=4 17315 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,2,0,0,0,0|2,0,0]=4 17316 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|2,0,0]=4 17317 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|2,0,0]=4 17318 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|2,0,0]=4 17319 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|2,0,0]=4 17320 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|2,0,0]=4 17321 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|2,0,0]=4 17322 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,2,0,0,0,0|2,0,0]=4 17323 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,2,0,0,0,0|2,0,0]=4 17324 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|2,0,0]=4 17325 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|2,0,0]=4 17326 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|2,0,0]=4 17327 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|2,0,0]=4 17328 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,2,0,0,0,0|2,0,0]=4 17329 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,2,0,0,0,0|2,0,0]=4 17330 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|2,0,0]=4 17331 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,2,0,0,0,0|1,0,0]=3 17332 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,2,0,0,0,0|2,0,0]=4 17333 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|2,0,0]=4 17334 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|2,0,0]=4 17335 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,2,0,0,0,0|1,0,0]=3 17336 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,2,0,0,0,0|2,0,0]=4 17337 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,2,0,0,0,0|2,0,0]=4 17338 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|2,0,0]=4 17339 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|2,0,0]=4 17340 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,2,0,0,0,0|1,0,0]=3 17341 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|1,0,0]=3 17342 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|2,0,0]=4 17343 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|2,0,0]=4 17344 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|2,0,0]=4 17345 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|2,0,0]=4 17346 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|2,0,0]=4 17347 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|2,0,0]=4 17348 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|2,0,0]=4 17349 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|2,0,0]=4 17350 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|2,0,0]=4 17351 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|2,0,0]=4 17352 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|2,0,0]=4 17353 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|2,0,0]=4 17354 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|2,0,0]=4 17355 B13R0.2 CCCCOCCCNC(=O)CC#N 1626a_200000211371_100051588842 [0,2,0,0,0,0|2,0,0]=4 17356 B13R0.2 CCCCOCCCNC(=O)CC#N 240690a_200000211371_100051588842 [0,2,0,0,0,0|2,0,0]=4 17357 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 17358 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 17359 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 17360 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|2,0,0]=4 17361 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 17362 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 17363 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 17364 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 17365 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 17366 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 17367 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 17368 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 17369 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 17370 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 17371 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 17372 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 17373 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 17374 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,2,0,0,0,0|2,0,0]=4 17375 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 17376 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,2,0,0,0,0|2,0,0]=4 17377 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,2,0,0,0,0|2,0,0]=4 17378 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|2,0,0]=4 17379 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|2,0,0]=4 17380 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|2,0,0]=4 17381 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|2,0,0]=4 17382 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,2,0,0,0,0|2,0,0]=4 17383 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,2,0,0,0,0|2,0,0]=4 17384 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,2,0,0,0,0|2,0,0]=4 17385 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,2,0,0,0,0|2,0,0]=4 17386 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,2,0,0,0,0|2,0,0]=4 17387 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|2,0,0]=4 17388 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|2,0,0]=4 17389 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,2,0,0,0,0|2,0,0]=4 17390 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,2,0,0,0,0|2,0,0]=4 17391 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|2,0,0]=4 17392 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 17393 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 17394 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 17395 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 17396 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 17397 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 17398 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|2,0,0]=4 17399 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|2,0,0]=4 17400 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|2,0,0]=4 17401 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|2,0,0]=4 17402 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|2,0,0]=4 17403 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|2,0,0]=4 17404 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|2,0,0]=4 17405 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|2,0,0]=4 17406 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,2,0,0,0,0|2,0,0]=4 17407 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,2,0,0,0,0|2,0,0]=4 17408 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,2,0,0,0,0|2,0,0]=4 17409 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|2,0,0]=4 17410 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,2,0,0,0,0|2,0,0]=4 17411 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,2,0,0,0,0|2,0,0]=4 17412 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 17413 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 17414 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,2,0,0,0,0|2,0,0]=4 17415 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|2,0,0]=4 17416 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|2,0,0]=4 17417 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|2,0,0]=4 17418 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,2,0,0,0,0|2,0,0]=4 17419 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,2,0,0,0,0|2,0,0]=4 17420 B13R0.2 N#CCC(=O)NCCCCCCCO 240690a_100011996573_100051588842 [0,2,0,0,0,0|2,0,0]=4 17421 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|2,0,0]=4 17422 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|2,0,0]=4 17423 B13R0.87 C=CC(=O)OCCOCC(C)CCC 34a_100000688023_100009813456 [0,2,0,0,0,0|1,0,1]=4 17424 B13R0.87 C=CC(=O)OCCOCC(C)CCC 7a_100000688023_100009813456 [0,2,0,0,0,0|1,0,1]=4 17425 B13R0.87 C=CC(=O)OCCOC[C@@H](N)CCC 34a_100000732646_100009813456 [0,2,0,0,0,0|1,0,1]=4 17426 B13R0.87 C=CC(=O)OCCSCC(C)CCC 62a_100009813456_100011216630 [0,2,0,0,0,0|1,0,1]=4 17427 B13R0.87 C=CC(=O)OCCSCC(C)CCC 62a_100011216630_100009813456 [0,2,0,0,0,0|1,0,1]=4 17428 B13R0.87 CCC(=O)OCCOCC(O)COC 7a_200000031056_100011215053 [0,2,0,0,0,0|2,0,0]=4 17429 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,2,0,0,0,0|1,0,1]=4 17430 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,2,0,0,0,0|1,0,1]=4 17431 B13R0.87 CCCC(=O)COCCOC(=O)CC 7a_200000031056_100000747444 [0,2,0,0,0,0|1,0,1]=4 17432 B13R0.87 CCCC(=O)CSCCOC(=O)NC 62a_100000747444_200011997002 [0,2,0,0,0,0|1,0,1]=4 17433 B13R0.87 CCCC(=O)CSCCOC(=O)NC 62a_200011997002_100000747444 [0,2,0,0,0,0|1,0,1]=4 17434 B13R0.87 CCCC(C)CCCOCC(=O)CC 7a_100011713154_100000747405 [0,2,0,0,0,0|2,0,0]=4 17435 B13R0.87 CCCC(C)CCCOCC(=O)NC 34a_100011713154_100000183359 [0,2,0,0,0,0|2,0,0]=4 17436 B13R0.87 CCCC(C)CCCOCC(=O)NC 7a_100011713154_100000183359 [0,2,0,0,0,0|2,0,0]=4 17437 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,2,0,0,0,0|2,0,0]=4 17438 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,2,0,0,0,0|2,0,0]=4 17439 B13R0.87 CCCC(C)CCOCCC(=O)NC 34a_100011217855_100012179268 [0,2,0,0,0,0|2,0,0]=4 17440 B13R0.87 CCCC(C)CCOCCC(=O)NC 7a_100011217855_100000737683 [0,2,0,0,0,0|2,0,0]=4 17441 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,2,0,0,0,0|2,0,0]=4 17442 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,2,0,0,0,0|2,0,0]=4 17443 B13R0.87 CCCC(C)CNCCCC(=O)NC 2230a_100000740002_100011216630 [0,2,0,0,0,0|2,0,0]=4 17444 B13R0.87 CCCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243154 [0,2,0,0,0,0|2,0,0]=4 17445 B13R0.87 CCCC(C)CNCCCC(=O)NC 34a_100000740002_100011216630 [0,2,0,0,0,0|2,0,0]=4 17446 B13R0.87 CCCC(C)CNCCNC(=O)CC 270004a_100132302217_100000243154 [0,2,0,0,0,0|2,0,0]=4 17447 B13R0.87 CCCC(C)CNCCNC(=O)CC 34a_100132302217_100011216630 [0,2,0,0,0,0|2,0,0]=4 17448 B13R0.87 CCCC(C)CNCCNC(=O)NC 34a_100015205895_100011216630 [0,2,0,0,0,0|2,0,0]=4 17449 B13R0.87 CCCC(C)COCCCC(=O)NC 34a_100000688023_100000741757 [0,2,0,0,0,0|2,0,0]=4 17450 B13R0.87 CCCC(C)COCCCC(=O)NC 7a_100000688023_100000741757 [0,2,0,0,0,0|2,0,0]=4 17451 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,2,0,0,0,0|2,0,0]=4 17452 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,2,0,0,0,0|2,0,0]=4 17453 B13R0.87 CCCC(C)COCCNC(=O)CC 34a_200000158885_100011216630 [0,2,0,0,0,0|2,0,0]=4 17454 B13R0.87 CCCC(C)COCCNC(=O)CC 7a_200000158885_100011216630 [0,2,0,0,0,0|2,0,0]=4 17455 B13R0.87 CCCC(C)COCCNC(=O)OC 34a_100000757965_100011216630 [0,2,0,0,0,0|2,0,0]=4 17456 B13R0.87 CCCC(C)COCCOC(=O)CC 7a_200000031056_100011216630 [0,2,0,0,0,0|1,0,0]=3 17457 B13R0.87 CCCC(C)COCCOC(=O)NC 34a_100000688023_200011997002 [0,2,0,0,0,0|1,0,0]=3 17458 B13R0.87 CCCC(C)COCCOC(=O)NC 7a_100000688023_200011997002 [0,2,0,0,0,0|1,0,0]=3 17459 B13R0.87 CCCC(C)COCCOC(=O)OC 34a_100010262106_100011216630 [0,2,0,0,0,0|1,0,0]=3 17460 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100000741757_100011216630 [0,2,0,0,0,0|2,0,0]=4 17461 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100011216630_100000741757 [0,2,0,0,0,0|2,0,0]=4 17462 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,2,0,0,0,0|2,0,0]=4 17463 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,2,0,0,0,0|2,0,0]=4 17464 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_100011216630_200011997002 [0,2,0,0,0,0|1,0,0]=3 17465 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_200011997002_100011216630 [0,2,0,0,0,0|1,0,0]=3 17466 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [0,2,0,0,0,0|2,0,0]=4 17467 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [0,2,0,0,0,0|2,0,0]=4 17468 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [0,2,0,0,0,0|2,0,0]=4 17469 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [0,2,0,0,0,0|2,0,0]=4 17470 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [0,2,0,0,0,0|2,0,0]=4 17471 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [0,2,0,0,0,0|2,0,0]=4 17472 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [0,2,0,0,0,0|2,0,0]=4 17473 B13R0.87 CCCN(C)CCCCCC(=O)OC 2230a_100000747261_100009816466 [0,2,0,0,0,0|2,0,0]=4 17474 B13R0.87 CCCN(C)CCCCCC(=O)OC 269982a_100000747261_100009816466 [0,2,0,0,0,0|2,0,0]=4 17475 B13R0.87 CCC[C@H](N)CCOCCC(=O)NC 34a_100015193777_100012179268 [0,2,0,0,0,0|2,0,0]=4 17476 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,2,0,0,0,0|2,0,0]=4 17477 B13R0.87 CCC[C@H](N)COCCCC(=O)NC 34a_100000732646_100000741757 [0,2,0,0,0,0|2,0,0]=4 17478 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|2,0,0]=4 17479 B13R0.87 CCC[C@H](N)COCCOC(=O)NC 34a_100000732646_200011997002 [0,2,0,0,0,0|1,0,0]=3 17480 B13R0.87 CNC(=O)OCCNCC(O)COC 34a_100000756049_200011997002 [0,2,0,0,0,0|2,0,0]=4 17481 B13R0.87 CNC(=O)OCCOCC(C)CCN 34a_106354213184_200011997002 [0,2,0,0,0,0|2,0,0]=4 17482 B13R0.87 CNC(=O)OCCOCC(N)COC 34a_100000724102_200011997002 [0,2,0,0,0,0|2,0,0]=4 17483 B13R0.87 CNC(=O)OCCSCC(O)COC 62a_100011215053_200011997002 [0,2,0,0,0,0|2,0,0]=4 17484 B13R0.87 CNC(=O)OCCSCC(O)COC 62a_200011997002_100011215053 [0,2,0,0,0,0|2,0,0]=4 17485 B13R0.87 COCC(O)COCCOC(=O)OC 34a_100010262106_100011215053 [0,2,0,0,0,0|2,0,0]=4 17486 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [0,2,0,0,0,0|2,0,0]=4 17487 B13R0.340 C=C(COCCCCCC)C(=O)OC 34a_100000210259_100009813391 [0,2,0,0,0,0|2,0,0]=4 17488 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100000210314_100009813391 [0,2,0,0,0,0|2,0,0]=4 17489 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100009813391_100000210757 [0,2,0,0,0,0|2,0,0]=4 17490 B13R0.340 C=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000185746 [0,2,0,0,0,0|1,0,1]=4 17491 B13R0.340 C=CC(=O)N(C)CCCCCCCC 240690a_100000207567_200121576911 [0,2,0,0,0,0|1,0,1]=4 17492 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|1,0,0]=3 17493 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,2,0,0,0,0|1,0,0]=3 17494 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,2,0,0,0,0|1,0,0]=3 17495 B13R0.340 CCCCCCCCC(O)C(=O)NC 240690a_100102657272_200011995895 [0,2,0,0,0,0|1,0,0]=3 17496 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 17497 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 17498 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 17499 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 17500 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 17501 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 17502 B13R0.340 CCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207567 [0,2,0,0,0,0|1,0,0]=3 17503 B13R0.340 CCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207567 [0,2,0,0,0,0|1,0,0]=3 17504 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 17505 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 17506 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 17507 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 17508 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 17509 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 17510 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 17511 B13R0.340 CCCCCCCNC(C)C(=O)CC 2230a_100000229938_100000742827 [0,2,0,0,0,0|2,0,0]=4 17512 B13R0.340 CCCCCCCNC(C)C(=O)NC 2230a_100000229938_100000731044 [0,2,0,0,0,0|2,0,0]=4 17513 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [0,2,0,0,0,0|2,0,0]=4 17514 B13R0.340 CCCCCCCNC(F)C(=O)NC 2230a_100000229938_100009813575 [0,2,0,0,0,0|2,0,0]=4 17515 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210681 [0,2,0,0,0,0|2,0,0]=4 17516 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210614 [0,2,0,0,0,0|2,0,0]=4 17517 B13R0.340 CCCCCCCOC(C)C(=O)CC 7a_100000210272_100000742827 [0,2,0,0,0,0|2,0,0]=4 17518 B13R0.340 CCCCCCCOC(C)C(=O)NC 34a_100000210272_100000731044 [0,2,0,0,0,0|2,0,0]=4 17519 B13R0.340 CCCCCCCOC(C)C(=O)NC 7a_100000210272_100000209862 [0,2,0,0,0,0|2,0,0]=4 17520 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,2,0,0,0,0|2,0,0]=4 17521 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,2,0,0,0,0|2,0,0]=4 17522 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,2,0,0,0,0|2,0,0]=4 17523 B13R0.340 CCCCCCCOC(F)C(=O)NC 34a_100000210272_100009813575 [0,2,0,0,0,0|2,0,0]=4 17524 B13R0.340 CCCCCCCOC(F)C(=O)NC 7a_100000210272_100009813575 [0,2,0,0,0,0|2,0,0]=4 17525 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000210614_100000742827 [0,2,0,0,0,0|2,0,0]=4 17526 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210316 [0,2,0,0,0,0|2,0,0]=4 17527 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210316 [0,2,0,0,0,0|2,0,0]=4 17528 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000210614_100000731044 [0,2,0,0,0,0|2,0,0]=4 17529 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [0,2,0,0,0,0|2,0,0]=4 17530 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [0,2,0,0,0,0|2,0,0]=4 17531 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100000210614_100009813575 [0,2,0,0,0,0|2,0,0]=4 17532 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210316 [0,2,0,0,0,0|2,0,0]=4 17533 B13R0.340 CCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210314 [0,2,0,0,0,0|2,0,0]=4 17534 B13R0.340 CCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210314 [0,2,0,0,0,0|2,0,0]=4 17535 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|2,0,0]=4 17536 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [0,2,0,0,0,0|2,0,0]=4 17537 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [0,2,0,0,0,0|2,0,0]=4 17538 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [0,2,0,0,0,0|2,0,0]=4 17539 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [0,2,0,0,0,0|2,0,0]=4 17540 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [0,2,0,0,0,0|2,0,0]=4 17541 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|2,0,0]=4 17542 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|2,0,0]=4 17543 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [0,2,0,0,0,0|2,0,0]=4 17544 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [0,2,0,0,0,0|2,0,0]=4 17545 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [0,2,0,0,0,0|2,0,0]=4 17546 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [0,2,0,0,0,0|2,0,0]=4 17547 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [0,2,0,0,0,0|2,0,0]=4 17548 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [0,2,0,0,0,0|2,0,0]=4 17549 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [0,2,0,0,0,0|2,0,0]=4 17550 B13R0.340 CNC(=O)C(=O)CCCCCCCO 1458a_100011218921_100000760002 [0,2,0,0,0,0|2,0,0]=4 17551 B13R0.340 CNC(=O)C(=O)CCCCCCOC 1458a_100011218921_100011998445 [0,2,0,0,0,0|2,0,0]=4 17552 B13R0.412 C#CC(CC)OCCCCCCCC 34a_100000758843_100000210759 [0,2,0,0,0,0|1,0,1]=4 17553 B13R0.412 C#CC(CC)OCCCCCCCC 7a_100000758843_100000210759 [0,2,0,0,0,0|1,0,1]=4 17554 B13R0.412 C=CC(CC)OCCCCCCCC 34a_100000766422_100000210759 [0,2,0,0,0,0|1,0,1]=4 17555 B13R0.412 C=CC(CC)OCCCCCCCC 7a_100000766422_100000210759 [0,2,0,0,0,0|1,0,1]=4 17556 B13R0.412 CCCCCCCCOC(C=O)C=O 34a_100000210232_100000736813 [0,2,0,0,0,0|0,0,2]=4 17557 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000210232_100000210505 [0,2,0,0,0,0|1,0,1]=4 17558 B13R0.412 CCCCCCCCOC(CC)CC 7a_100000688536_100000210759 [0,2,0,0,0,0|1,0,1]=4 17559 B13R0.412 CCCCCCCCOC(CCl)CCl 7a_100000737055_100000210759 [0,2,0,0,0,0|1,0,1]=4 17560 B13R0.412 CCCCCCCCOC(CF)CF 34a_100000032261_100000210759 [0,2,0,0,0,0|1,0,1]=4 17561 B13R0.412 CCCCCCCCOC(CF)CF 7a_100000032261_100000210759 [0,2,0,0,0,0|1,0,1]=4 17562 B13R0.412 CCCCCCCCOC(CN)CN 34a_100000031598_100000210759 [0,2,0,0,0,0|1,0,1]=4 17563 B13R0.412 CCCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210759 [0,2,0,0,0,0|1,0,1]=4 17564 B13R0.412 CCCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210759 [0,2,0,0,0,0|1,0,1]=4 17565 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,1]=4 17566 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|1,0,1]=4 17567 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [0,2,0,0,0,0|1,0,1]=4 17568 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|1,0,1]=4 17569 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000210919_100000183359 [0,2,0,0,0,0|2,0,0]=4 17570 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000693194_100011215978 [0,2,0,0,0,0|2,0,0]=4 17571 B13R0.1170 CCCCCCC(C)NCC(=O)NC 270004a_100000693194_100000210826 [0,2,0,0,0,0|2,0,0]=4 17572 B13R0.1170 CCCCCCC(C)NCC(=O)NC 34a_100000210919_100000183359 [0,2,0,0,0,0|2,0,0]=4 17573 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [0,2,0,0,0,0|2,0,0]=4 17574 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [0,2,0,0,0,0|2,0,0]=4 17575 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [0,2,0,0,0,0|2,0,0]=4 17576 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [0,2,0,0,0,0|2,0,0]=4 17577 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000210265_100000183359 [0,2,0,0,0,0|2,0,0]=4 17578 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000750040_100011215978 [0,2,0,0,0,0|2,0,0]=4 17579 B13R0.1170 CCCCCCC(C)OCC(=O)NC 7a_100000210265_100000183359 [0,2,0,0,0,0|2,0,0]=4 17580 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [0,2,0,0,0,0|2,0,0]=4 17581 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [0,2,0,0,0,0|2,0,0]=4 17582 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [0,2,0,0,0,0|2,0,0]=4 17583 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [0,2,0,0,0,0|2,0,0]=4 17584 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100000183359_100011215978 [0,2,0,0,0,0|2,0,0]=4 17585 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100011215978_100000183359 [0,2,0,0,0,0|2,0,0]=4 17586 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [0,2,0,0,0,0|2,0,0]=4 17587 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [0,2,0,0,0,0|2,0,0]=4 17588 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210314 [0,2,0,0,0,0|2,0,0]=4 17589 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_106256046315_100000737683 [0,2,0,0,0,0|2,0,0]=4 17590 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210757 [0,2,0,0,0,0|2,0,0]=4 17591 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_106256046315_100000737683 [0,2,0,0,0,0|2,0,0]=4 17592 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [0,2,0,0,0,0|2,0,0]=4 17593 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [0,2,0,0,0,0|2,0,0]=4 17594 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [0,2,0,0,0,0|2,0,0]=4 17595 B13R0.91 CCCC(C)CCCOC(C)C(=O)C 7a_100011713154_100000179758 [0,2,0,0,0,0|2,0,0]=4 17596 B13R0.91 CCCC(C)CCOCC(=O)C(=O)C 34a_100011217855_100011261029 [0,2,0,0,0,0|2,0,0]=4 17597 B13R0.91 CCC[C@H](N)CCOCC(=O)C(=O)C 34a_100015193777_100011261029 [0,2,0,0,0,0|2,0,0]=4 17598 B13R0.284 CCCCCCC(=O)CC(=O)C(=O)C 1458a_100102632555_100011261029 [0,2,0,0,0,0|1,0,1]=4 17599 B13R0.284 CCCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210757 [0,2,0,0,0,0|1,0,1]=4 17600 B13R0.284 CCCCCCC(C)NC(C)C(=O)C 2230a_100000210919_100009814033 [0,2,0,0,0,0|2,0,0]=4 17601 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 34a_100000212229_100011215978 [0,2,0,0,0,0|2,0,0]=4 17602 B13R0.284 CCCCCCC(C)OC(C)C(=O)C 7a_100000210265_100000179758 [0,2,0,0,0,0|2,0,0]=4 17603 B13R0.284 CCCCCCC(C)SC(C)C(=O)C 62a_100009814033_100011215978 [0,2,0,0,0,0|2,0,0]=4 17604 B13R0.284 CCCCCCC(C)SC(C)C(=O)C 62a_100011215978_100009814033 [0,2,0,0,0,0|2,0,0]=4 17605 B13R0.284 CCCCCCN(C)CC(=O)C(=O)C 269982a_106256046315_100011261029 [0,2,0,0,0,0|2,0,0]=4 17606 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210614 [0,2,0,0,0,0|2,0,0]=4 17607 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000210272_100000075568 [0,2,0,0,0,0|2,0,0]=4 17608 B13R0.413 CCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210614 [0,2,0,0,0,0|2,0,0]=4 17609 B13R0.413 CCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210316 [0,2,0,0,0,0|2,0,0]=4 17610 B13R0.413 CCCCCCCSC(C)(C)C(=O)C 62a_100000210614_100000075568 [0,2,0,0,0,0|2,0,0]=4 17611 B13R0.95 CC(=O)OCC(O)CN[C@H](C)CCO 34a_100000706166_200000139349 [0,2,0,0,0,0|2,0,0]=4 17612 B13R0.95 CC(=O)OCC(O)COC(C)CCBr 34a_100012276601_200000139349 [0,2,0,0,0,0|2,0,0]=4 17613 B13R0.95 CC(=O)OCC(O)CSC(C)CCO 62a_100009893172_200000139349 [0,2,0,0,0,0|2,0,0]=4 17614 B13R0.95 CC(=O)OCC(O)CSC(C)CCO 62a_200000139349_100009893172 [0,2,0,0,0,0|2,0,0]=4 17615 B13R0.95 CCCC(C)NCC(C)CSC(=O)C 2230a_100000741246_200000116872 [0,2,0,0,0,0|1,1,0]=4 17616 B13R0.95 CCCC(C)OCC(=O)COC(=O)C 34a_100000764384_100000036994 [0,2,0,0,0,0|1,0,1]=4 17617 B13R0.95 CCCC(C)OCC(C)CSC(=O)C 34a_100000764384_200000116872 [0,2,0,0,0,0|1,1,0]=4 17618 B13R0.95 CCCC(C)OCC(C)CSC(=O)C 7a_100000764384_200000116872 [0,2,0,0,0,0|1,1,0]=4 17619 B13R0.95 CCCC(C)OCC(O)COC(=O)C 34a_100000764384_200000139349 [0,2,0,0,0,0|1,0,0]=3 17620 B13R0.95 CCCC(C)OCC(O)COC(=O)C 7a_100000764384_200000139349 [0,2,0,0,0,0|1,0,0]=3 17621 B13R0.95 CCCC(C)SCC(=O)COC(=O)C 62a_100000036994_100000766640 [0,2,0,0,0,0|1,0,1]=4 17622 B13R0.95 CCCC(C)SCC(=O)COC(=O)C 62a_100000766640_100000036994 [0,2,0,0,0,0|1,0,1]=4 17623 B13R0.95 CCCC(C)SCC(C)CSC(=O)C 62a_100000766640_200000116872 [0,2,0,0,0,0|1,1,0]=4 17624 B13R0.95 CCCC(C)SCC(C)CSC(=O)C 62a_200000116872_100000766640 [0,2,0,0,0,0|1,1,0]=4 17625 B13R0.95 CCCC(C)SCC(O)COC(=O)C 62a_100000766640_200000139349 [0,2,0,0,0,0|1,0,0]=3 17626 B13R0.95 CCCC(C)SCC(O)COC(=O)C 62a_200000139349_100000766640 [0,2,0,0,0,0|1,0,0]=3 17627 B13R0.95 COCC(C)SCC(O)COC(=O)C 62a_100000765312_200000139349 [0,2,0,0,0,0|2,0,0]=4 17628 B13R0.95 COCC(C)SCC(O)COC(=O)C 62a_200000139349_100000765312 [0,2,0,0,0,0|2,0,0]=4 17629 B13R0.95 COCC(O)CNC(C)COC(=O)C 270004a_100000756049_100000000629 [0,2,0,0,0,0|2,0,0]=4 17630 B13R0.95 COC[C@@H](C)OCC(O)COC(=O)C 34a_100011934205_200000139349 [0,2,0,0,0,0|2,0,0]=4 17631 B13R0.285 CC(=O)OCC(CCl)OCCCCF 7a_200000139349_100000729493 [0,2,0,0,0,0|2,0,0]=4 17632 B13R0.285 CC(=O)OCC(CCl)OCCCCO 7a_200000139349_100000210776 [0,2,0,0,0,0|2,0,0]=4 17633 B13R0.285 CCCCCOC(CCl)COC(=O)C 7a_200000139349_100000210326 [0,2,0,0,0,0|1,0,0]=3 17634 B13R0.285 CCOCCOC(CCl)COC(=O)C 7a_200000139349_100011215890 [0,2,0,0,0,0|2,0,0]=4 17635 B13R0.285 CCSCCOC(CCl)COC(=O)C 7a_200000139349_100000757381 [0,2,0,0,0,0|2,0,0]=4 17636 B13R0.285 COCCCOC(CCl)COC(=O)C 7a_200000139349_100000740836 [0,2,0,0,0,0|2,0,0]=4 17637 B13R0.231 CC(=O)OCCCOC(C)(C)CCBr 7a_100000702414_100000042594 [0,2,0,0,0,0|2,0,0]=4 17638 B13R0.231 CCCC(C)(C)COCCCC(=O)C 7a_100011995695_100011215641 [0,2,0,0,0,0|2,0,0]=4 17639 B13R0.231 CCCC(C)(C)COCCNC(=O)C 7a_100011995695_100000189650 [0,2,0,0,0,0|2,0,0]=4 17640 B13R0.231 CCCC(C)(C)COCCOC(=O)C 7a_100011995695_100009814007 [0,2,0,0,0,0|1,0,0]=3 17641 B13R0.231 CCCC(C)(C)COCCOC(=O)N 7a_100011995695_200011214921 [0,2,0,0,0,0|2,0,0]=4 17642 B13R0.231 CCCC(C)(C)OCCCCC(=O)C 7a_100000748436_100000735457 [0,2,0,0,0,0|2,0,0]=4 17643 B13R0.231 CCCC(C)(C)OCCCOC(=O)C 7a_100000748436_100000042594 [0,2,0,0,0,0|1,0,0]=3 17644 B13R0.231 CCCC(C)(C)OCCCOC(=S)C 7a_100000748436_200135323944 [0,2,0,0,0,0|1,1,0]=4 17645 B13R0.231 CCCC(C)(C)OCCCSC(=O)C 7a_100000748436_100000038929 [0,2,0,0,0,0|1,1,0]=4 17646 B13R0.231 CCNC(C)(C)COCCOC(=O)C 7a_100000747347_100009814007 [0,2,0,0,0,0|2,0,0]=4 17647 B13R0.231 CSCC(C)(C)NCCCOC(=O)C 7a_100000759623_100000042594 [0,2,0,0,0,0|2,0,0]=4 17648 B13R0.313 C#CC(CCC)OCCCCC(=O)C 34a_200011217317_100009817362 [0,2,0,0,0,0|2,0,0]=4 17649 B13R0.313 C#CC(CCC)OCCCCC(=O)C 7a_200011217317_100000735457 [0,2,0,0,0,0|2,0,0]=4 17650 B13R0.313 C#CC(CCC)OCCCOC(=O)C 34a_200011217317_100000042594 [0,2,0,0,0,0|1,0,0]=3 17651 B13R0.313 C#CC(CCC)OCCCOC(=O)C 7a_200011217317_100000042594 [0,2,0,0,0,0|1,0,0]=3 17652 B13R0.313 C#CC(CCC)OCCCOC(=S)C 34a_200011217317_200135323944 [0,2,0,0,0,0|1,1,0]=4 17653 B13R0.313 C#CC(CCC)OCCCOC(=S)C 7a_200011217317_200135323944 [0,2,0,0,0,0|1,1,0]=4 17654 B13R0.313 C#CC(CCC)OCCCSC(=O)C 34a_200011217317_100000038929 [0,2,0,0,0,0|1,1,0]=4 17655 B13R0.313 C#CC(CCC)OCCCSC(=O)C 7a_200011217317_100000038929 [0,2,0,0,0,0|1,1,0]=4 17656 B13R0.313 C=CC(CCC)OCCCCC(=O)C 34a_100011216692_100009817362 [0,2,0,0,0,0|2,0,0]=4 17657 B13R0.313 C=CC(CCC)OCCCCC(=O)C 7a_100011216692_100000735457 [0,2,0,0,0,0|2,0,0]=4 17658 B13R0.313 C=CC(CCC)OCCCOC(=O)C 34a_100011216692_100000042594 [0,2,0,0,0,0|1,0,0]=3 17659 B13R0.313 C=CC(CCC)OCCCOC(=O)C 7a_100011216692_100000042594 [0,2,0,0,0,0|1,0,0]=3 17660 B13R0.313 C=CC(CCC)OCCCOC(=S)C 34a_100011216692_200135323944 [0,2,0,0,0,0|1,1,0]=4 17661 B13R0.313 C=CC(CCC)OCCCOC(=S)C 7a_100011216692_200135323944 [0,2,0,0,0,0|1,1,0]=4 17662 B13R0.313 C=CC(CCC)OCCCSC(=O)C 34a_100011216692_100000038929 [0,2,0,0,0,0|1,1,0]=4 17663 B13R0.313 C=CC(CCC)OCCCSC(=O)C 7a_100011216692_100000038929 [0,2,0,0,0,0|1,1,0]=4 17664 B13R0.313 CCC(COC)OCCCOC(=O)C 7a_200011214946_100000042594 [0,2,0,0,0,0|2,0,0]=4 17665 B13R0.313 CCCC(C#N)OCCCCC(=O)C 34a_100000686963_100009817362 [0,2,0,0,0,0|2,0,0]=4 17666 B13R0.313 CCCC(C#N)OCCCCC(=O)C 7a_100000686963_100000735457 [0,2,0,0,0,0|2,0,0]=4 17667 B13R0.313 CCCC(C#N)OCCCOC(=O)C 34a_100000686963_100000042594 [0,2,0,0,0,0|1,0,0]=3 17668 B13R0.313 CCCC(C#N)OCCCOC(=O)C 7a_100000686963_100000042594 [0,2,0,0,0,0|1,0,0]=3 17669 B13R0.313 CCCC(C#N)OCCCOC(=S)C 34a_100000686963_200135323944 [0,2,0,0,0,0|1,1,0]=4 17670 B13R0.313 CCCC(C#N)OCCCOC(=S)C 7a_100000686963_200135323944 [0,2,0,0,0,0|1,1,0]=4 17671 B13R0.313 CCCC(C#N)OCCCSC(=O)C 34a_100000686963_100000038929 [0,2,0,0,0,0|1,1,0]=4 17672 B13R0.313 CCCC(C#N)OCCCSC(=O)C 7a_100000686963_100000038929 [0,2,0,0,0,0|1,1,0]=4 17673 B13R0.313 CCCC(CC)NCCCNC(=O)C 270004a_100000736810_100000687865 [0,2,0,0,0,0|2,0,0]=4 17674 B13R0.313 CCCC(CC)NCCCOC(=S)C 2230a_100000747048_200135323944 [0,2,0,0,0,0|1,1,0]=4 17675 B13R0.313 CCCC(CC)NCCCSC(=O)C 2230a_100000747048_100000038929 [0,2,0,0,0,0|1,1,0]=4 17676 B13R0.313 CCCC(CC)OCCCCC(=O)C 34a_100000687864_100009817362 [0,2,0,0,0,0|2,0,0]=4 17677 B13R0.313 CCCC(CC)OCCCCC(=O)C 7a_100000687864_100000735457 [0,2,0,0,0,0|2,0,0]=4 17678 B13R0.313 CCCC(CC)OCCCOC(=O)C 34a_100000687864_100000042594 [0,2,0,0,0,0|1,0,0]=3 17679 B13R0.313 CCCC(CC)OCCCOC(=O)C 7a_100000687864_100000042594 [0,2,0,0,0,0|1,0,0]=3 17680 B13R0.313 CCCC(CC)OCCCOC(=S)C 34a_100000687864_200135323944 [0,2,0,0,0,0|1,1,0]=4 17681 B13R0.313 CCCC(CC)OCCCOC(=S)C 7a_100000687864_200135323944 [0,2,0,0,0,0|1,1,0]=4 17682 B13R0.313 CCCC(CC)OCCCSC(=O)C 34a_100000687864_100000038929 [0,2,0,0,0,0|1,1,0]=4 17683 B13R0.313 CCCC(CC)OCCCSC(=O)C 7a_100000687864_100000038929 [0,2,0,0,0,0|1,1,0]=4 17684 B13R0.313 CCCC(CC)SCCCCC(=O)C 62a_100000735457_100011219200 [0,2,0,0,0,0|2,0,0]=4 17685 B13R0.313 CCCC(CC)SCCCCC(=O)C 62a_100011219200_100000735457 [0,2,0,0,0,0|2,0,0]=4 17686 B13R0.313 CCCC(CC)SCCCOC(=O)C 62a_100000042594_100011219200 [0,2,0,0,0,0|1,0,0]=3 17687 B13R0.313 CCCC(CC)SCCCOC(=O)C 62a_100011219200_100000042594 [0,2,0,0,0,0|1,0,0]=3 17688 B13R0.313 CCCC(CC)SCCCOC(=S)C 62a_100011219200_200135323944 [0,2,0,0,0,0|1,1,0]=4 17689 B13R0.313 CCCC(CC)SCCCOC(=S)C 62a_200135323944_100011219200 [0,2,0,0,0,0|1,1,0]=4 17690 B13R0.313 CCCC(CC)SCCCSC(=O)C 62a_100000038929_100011219200 [0,2,0,0,0,0|1,1,0]=4 17691 B13R0.313 CCCC(CC)SCCCSC(=O)C 62a_100011219200_100000038929 [0,2,0,0,0,0|1,1,0]=4 17692 B13R0.313 CCCC(CCOCCC(=O)C)SC 7a_100000032865_100000053229 [0,2,0,0,0,0|2,0,0]=4 17693 B13R0.313 CCCC(CCOCOC(=O)C)SC 34a_100000032865_100009813279 [0,2,0,0,0,0|1,0,0]=3 17694 B13R0.313 CCCN(CC)CCCCOC(=O)C 269982a_100000226822_100000033659 [0,2,0,0,0,0|1,0,0]=3 17695 B13R0.313 CCCN(CC)CCCCSC(=O)C 2230a_100000226822_200010402107 [0,2,0,0,0,0|1,1,0]=4 17696 B13R0.313 CCCN(CC)CCCCSC(=O)C 269982a_100000226822_200010402107 [0,2,0,0,0,0|1,1,0]=4 17697 B13R0.313 CCCN(CC)COCCOC(=O)C 269982a_100000226822_100000076355 [0,2,0,0,0,0|2,0,0]=4 17698 B13R0.313 CCC[C@@H](CO)NCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|2,0,0]=4 17699 B13R0.313 CCC[C@@H](CO)NCCCOC(=O)C 34a_100000732646_100000042594 [0,2,0,0,0,0|1,0,0]=3 17700 B13R0.313 CCC[C@@H](CO)NCCCOC(=S)C 2230a_100000732646_200135323944 [0,2,0,0,0,0|1,1,0]=4 17701 B13R0.313 CCC[C@@H](CO)NCCCOC(=S)C 34a_100000732646_200135323944 [0,2,0,0,0,0|1,1,0]=4 17702 B13R0.313 CCC[C@@H](CO)NCCCSC(=O)C 2230a_100000732646_100000038929 [0,2,0,0,0,0|1,1,0]=4 17703 B13R0.313 CCC[C@@H](CO)NCCCSC(=O)C 34a_100000732646_100000038929 [0,2,0,0,0,0|1,1,0]=4 17704 B13R0.313 CCN(CCO)CCCCOC(=O)C 269982a_100000210973_100000033659 [0,2,0,0,0,0|2,0,0]=4 17705 B13R0.313 CCOC(CC)CNCCOC(=O)C 34a_100015183923_100009814007 [0,2,0,0,0,0|2,0,0]=4 17706 B13R0.313 COCC(CCl)OCCCOC(=O)C 34a_100011215053_100000042594 [0,2,0,0,0,0|2,0,0]=4 17707 B13R0.313 COCC(CN)OCCCOC(=O)C 34a_100000756049_100000042594 [0,2,0,0,0,0|2,0,0]=4 17708 B13R0.313 COCC(CO)NCCCOC(=O)C 34a_100000724102_100000042594 [0,2,0,0,0,0|2,0,0]=4 17709 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [1,0,0,1,0,0|2,0,0]=4 17710 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,1,0,0|1,0,0]=3 17711 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 17712 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 17713 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [1,0,0,1,0,0|2,0,0]=4 17714 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,1,0,0|1,0,0]=3 17715 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [1,0,0,1,0,0|2,0,0]=4 17716 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [1,0,0,1,0,0|2,0,0]=4 17717 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,0,0,1,0,0|2,0,0]=4 17718 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [1,0,0,1,0,0|2,0,0]=4 17719 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [1,0,0,1,0,0|2,0,0]=4 17720 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [1,0,0,1,0,0|2,0,0]=4 17721 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [1,0,0,1,0,0|2,0,0]=4 17722 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [1,0,0,1,0,0|2,0,0]=4 17723 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [1,0,0,1,0,0|2,0,0]=4 17724 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [1,0,0,1,0,0|2,0,0]=4 17725 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [1,0,0,1,0,0|2,0,0]=4 17726 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [1,0,0,1,0,0|2,0,0]=4 17727 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|1,0,0]=3 17728 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [1,0,0,1,0,0|2,0,0]=4 17729 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [1,0,0,1,0,0|2,0,0]=4 17730 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [1,0,0,1,0,0|2,0,0]=4 17731 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 17732 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 17733 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 17734 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 17735 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [1,0,0,1,0,0|2,0,0]=4 17736 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [1,0,0,1,0,0|2,0,0]=4 17737 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [1,0,0,1,0,0|2,0,0]=4 17738 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [1,0,0,1,0,0|2,0,0]=4 17739 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [1,0,0,1,0,0|2,0,0]=4 17740 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [1,0,0,1,0,0|2,0,0]=4 17741 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [1,0,0,1,0,0|2,0,0]=4 17742 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [1,0,0,1,0,0|2,0,0]=4 17743 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [1,0,0,1,0,0|2,0,0]=4 17744 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [1,0,0,1,0,0|2,0,0]=4 17745 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [1,0,0,1,0,0|2,0,0]=4 17746 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [1,0,0,1,0,0|2,0,0]=4 17747 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [1,0,0,1,0,0|2,0,0]=4 17748 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [1,0,0,1,0,0|2,0,0]=4 17749 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [1,0,0,1,0,0|2,0,0]=4 17750 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [1,0,0,1,0,0|2,0,0]=4 17751 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 17752 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 17753 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 17754 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|1,0,0]=3 17755 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [1,0,0,1,0,0|1,0,0]=3 17756 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 17757 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [1,0,0,1,0,0|2,0,0]=4 17758 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 17759 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [1,0,0,1,0,0|1,0,0]=3 17760 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|2,0,0]=4 17761 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 17762 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 17763 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 17764 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [1,0,0,1,0,0|2,0,0]=4 17765 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|2,0,0]=4 17766 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|2,0,0]=4 17767 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 17768 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 17769 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 17770 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [1,0,0,1,0,0|2,0,0]=4 17771 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 17772 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 17773 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [1,0,0,1,0,0|2,0,0]=4 17774 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [1,0,0,1,0,0|2,0,0]=4 17775 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [1,0,0,1,0,0|2,0,0]=4 17776 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [1,0,0,1,0,0|2,0,0]=4 17777 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [1,0,0,1,0,0|2,0,0]=4 17778 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [1,0,0,1,0,0|2,0,0]=4 17779 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,1,0,0|1,0,0]=3 17780 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,1,0,0|1,0,0]=3 17781 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,1,0,0|1,0,0]=3 17782 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,1,0,0|1,0,0]=3 17783 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,1,0,0|1,0,0]=3 17784 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,1,0,0|1,0,0]=3 17785 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,1,0,0|1,0,0]=3 17786 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [1,0,0,1,0,0|2,0,0]=4 17787 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [1,0,0,1,0,0|2,0,0]=4 17788 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [1,0,0,1,0,0|2,0,0]=4 17789 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [1,0,0,1,0,0|2,0,0]=4 17790 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [1,0,0,1,0,0|2,0,0]=4 17791 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [1,0,0,1,0,0|2,0,0]=4 17792 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [1,0,0,1,0,0|2,0,0]=4 17793 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [1,0,0,1,0,0|2,0,0]=4 17794 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [1,0,0,1,0,0|2,0,0]=4 17795 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [1,0,0,1,0,0|2,0,0]=4 17796 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [1,0,0,1,0,0|2,0,0]=4 17797 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [1,0,0,1,0,0|2,0,0]=4 17798 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [1,0,0,1,0,0|2,0,0]=4 17799 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [1,0,0,1,0,0|2,0,0]=4 17800 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [1,0,0,1,0,0|2,0,0]=4 17801 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [1,0,0,1,0,0|2,0,0]=4 17802 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [1,0,0,1,0,0|2,0,0]=4 17803 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [1,0,0,1,0,0|2,0,0]=4 17804 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [1,0,0,1,0,0|2,0,0]=4 17805 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [1,0,0,1,0,0|2,0,0]=4 17806 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [1,0,0,1,0,0|2,0,0]=4 17807 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [1,0,0,1,0,0|2,0,0]=4 17808 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [1,0,0,1,0,0|2,0,0]=4 17809 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 17810 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 17811 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 17812 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [1,0,0,1,0,0|1,0,0]=3 17813 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 17814 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 17815 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 17816 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|1,0,0]=3 17817 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [1,0,0,1,0,0|2,0,0]=4 17818 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [1,0,0,1,0,0|2,0,0]=4 17819 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 17820 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 17821 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 17822 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [1,0,0,1,0,0|2,0,0]=4 17823 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [1,0,0,1,0,0|1,0,1]=4 17824 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [1,0,0,1,0,0|1,0,1]=4 17825 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [1,0,0,1,0,0|2,0,0]=4 17826 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 17827 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 17828 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [1,0,0,1,0,0|2,0,0]=4 17829 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [1,0,0,1,0,0|2,0,0]=4 17830 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 17831 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 17832 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 17833 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 17834 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 17835 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 17836 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [1,0,0,1,0,0|2,0,0]=4 17837 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [1,0,0,1,0,0|2,0,0]=4 17838 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 17839 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 17840 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 17841 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [1,0,0,1,0,0|2,0,0]=4 17842 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [1,0,0,1,0,0|2,0,0]=4 17843 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [1,0,0,1,0,0|1,0,0]=3 17844 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|1,0,0]=3 17845 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|1,0,0]=3 17846 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [1,0,0,1,0,0|2,0,0]=4 17847 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [1,0,0,1,0,0|2,0,0]=4 17848 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [1,0,0,1,0,0|2,0,0]=4 17849 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [1,0,0,1,0,0|1,0,0]=3 17850 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [1,0,0,1,0,0|1,0,0]=3 17851 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [1,0,0,1,0,0|1,0,0]=3 17852 B11R1.90 CC(=O)OCN1CCSC1C 269982a_200011216479_100000076356 [1,0,0,1,0,0|2,0,0]=4 17853 B11R1.90 CC(=O)OCN1CCSC1C 34a_200011216479_100009813279 [1,0,0,1,0,0|2,0,0]=4 17854 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 17855 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 17856 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [1,0,0,1,0,0|2,0,0]=4 17857 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 17858 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 17859 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [1,0,0,1,0,0|2,0,0]=4 17860 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 17861 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 17862 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [1,0,0,1,0,0|2,0,0]=4 17863 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [1,0,0,1,0,0|2,0,0]=4 17864 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [1,0,0,1,0,0|2,0,0]=4 17865 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [1,0,0,1,0,0|2,0,0]=4 17866 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [1,0,0,1,0,0|2,0,0]=4 17867 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [1,0,0,1,0,0|2,0,0]=4 17868 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [1,0,0,1,0,0|2,0,0]=4 17869 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,1,0,0|0,0,2]=4 17870 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|0,0,0]=2 17871 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|0,0,0]=2 17872 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,1,0,0|1,0,0]=3 17873 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [1,0,0,1,0,0|2,0,0]=4 17874 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|1,0,0]=3 17875 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|1,0,0]=3 17876 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [1,0,0,1,0,0|2,0,0]=4 17877 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [1,0,0,1,0,0|2,0,0]=4 17878 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [1,0,0,1,0,0|2,0,0]=4 17879 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [1,0,0,1,0,0|2,0,0]=4 17880 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [1,0,0,1,0,0|2,0,0]=4 17881 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [1,0,0,1,0,0|2,0,0]=4 17882 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,1,0,0|1,0,0]=3 17883 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,1,0,0|1,0,0]=3 17884 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,1,0,0|1,0,0]=3 17885 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [1,0,0,1,0,0|2,0,0]=4 17886 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [1,0,0,1,0,0|2,0,0]=4 17887 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 17888 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 17889 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 17890 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|1,0,0]=3 17891 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 17892 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 17893 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 17894 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,1,0,0|2,0,0]=4 17895 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 17896 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 17897 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 17898 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [1,0,0,1,0,0|2,0,0]=4 17899 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 17900 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 17901 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 17902 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [1,0,0,1,0,0|2,0,0]=4 17903 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [1,0,0,1,0,0|2,0,0]=4 17904 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [1,0,0,1,0,0|2,0,0]=4 17905 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [1,0,0,1,0,0|2,0,0]=4 17906 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,0,1,0,0|2,0,0]=4 17907 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [1,0,0,1,0,0|2,0,0]=4 17908 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [1,0,0,1,0,0|2,0,0]=4 17909 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [1,0,0,1,0,0|2,0,0]=4 17910 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [1,0,0,1,0,0|2,0,0]=4 17911 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [1,0,0,1,0,0|2,0,0]=4 17912 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [1,0,0,1,0,0|1,0,1]=4 17913 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [1,0,0,1,0,0|1,0,1]=4 17914 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [1,0,0,1,0,0|1,0,1]=4 17915 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [1,0,0,1,0,0|2,0,0]=4 17916 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [1,0,0,1,0,0|2,0,0]=4 17917 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [1,0,0,1,0,0|2,0,0]=4 17918 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,1,0,0|2,0,0]=4 17919 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,1,0,0|2,0,0]=4 17920 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 17921 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 17922 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,0,1,0,0|2,0,0]=4 17923 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,0,1,0,0|2,0,0]=4 17924 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|2,0,0]=4 17925 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,1,0,0|2,0,0]=4 17926 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,0,1,0,0|2,0,0]=4 17927 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,0,1,0,0|2,0,0]=4 17928 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,0,1,0,0|2,0,0]=4 17929 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,1,0,0|0,0,2]=4 17930 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|0,0,0]=2 17931 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|1,0,0]=3 17932 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [1,0,0,1,0,0|2,0,0]=4 17933 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [1,0,0,1,0,0|2,0,0]=4 17934 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,1,0,0|1,0,0]=3 17935 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [1,0,0,1,0,0|1,0,1]=4 17936 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [1,0,0,1,0,0|2,0,0]=4 17937 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [1,0,0,1,0,0|2,0,0]=4 17938 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [1,0,0,1,0,0|2,0,0]=4 17939 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|1,0,0]=3 17940 B11R1.102 CC(=O)OCCN[C@@H]1C[C@H]1F 34a_100025746932_100009814007 [1,0,0,1,0,0|2,0,0]=4 17941 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [1,0,0,1,0,0|1,0,0]=3 17942 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [1,0,0,1,0,0|2,0,0]=4 17943 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [1,0,0,1,0,0|2,0,0]=4 17944 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [1,0,0,1,0,0|2,0,0]=4 17945 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [1,0,0,1,0,0|1,0,1]=4 17946 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [1,0,0,1,0,0|1,0,0]=3 17947 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|2,0,0]=4 17948 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [1,0,0,1,0,0|1,0,0]=3 17949 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|2,0,0]=4 17950 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [1,0,0,1,0,0|1,0,0]=3 17951 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [1,0,0,1,0,0|1,0,0]=3 17952 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [1,0,0,1,0,0|2,0,0]=4 17953 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [1,0,0,1,0,0|1,0,0]=3 17954 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [1,0,0,1,0,0|1,0,0]=3 17955 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 17956 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 17957 B11R1.161 CC1CCN1CCOC(=O)N 269982a_100000755817_200011214921 [1,0,0,1,0,0|2,0,0]=4 17958 B11R1.161 CC1CCN1CCOC(=O)N 34a_100000755817_200011214921 [1,0,0,1,0,0|2,0,0]=4 17959 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [1,0,0,1,0,0|2,0,0]=4 17960 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [1,0,0,1,0,0|2,0,0]=4 17961 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [1,0,0,1,0,0|2,0,0]=4 17962 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [1,0,0,1,0,0|2,0,0]=4 17963 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [1,0,0,1,0,0|2,0,0]=4 17964 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [1,0,0,1,0,0|2,0,0]=4 17965 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [1,0,0,1,0,0|2,0,0]=4 17966 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [1,0,0,1,0,0|2,0,0]=4 17967 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [1,0,0,1,0,0|2,0,0]=4 17968 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [1,0,0,1,0,0|2,0,0]=4 17969 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [1,0,0,1,0,0|2,0,0]=4 17970 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [1,0,0,1,0,0|2,0,0]=4 17971 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [1,0,0,1,0,0|2,0,0]=4 17972 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [1,0,0,1,0,0|2,0,0]=4 17973 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|0,0,0]=2 17974 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [1,0,0,1,0,0|2,0,0]=4 17975 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [1,0,0,1,0,0|1,0,0]=3 17976 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [1,0,0,1,0,0|1,0,0]=3 17977 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [1,0,0,1,0,0|1,0,0]=3 17978 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [1,0,0,1,0,0|2,0,0]=4 17979 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [1,0,0,1,0,0|1,0,0]=3 17980 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [1,0,0,1,0,0|1,0,0]=3 17981 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [1,0,0,1,0,0|1,0,0]=3 17982 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [1,0,0,1,0,0|2,0,0]=4 17983 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [1,0,0,1,0,0|2,0,0]=4 17984 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [1,0,0,1,0,0|2,0,0]=4 17985 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [1,0,0,1,0,0|1,0,0]=3 17986 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [1,0,0,1,0,0|1,0,0]=3 17987 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [1,0,0,1,0,0|2,0,0]=4 17988 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [1,0,0,1,0,0|1,0,0]=3 17989 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [1,0,0,1,0,0|2,0,0]=4 17990 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [1,0,0,1,0,0|2,0,0]=4 17991 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [1,0,0,1,0,0|2,0,0]=4 17992 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 17993 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 17994 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 17995 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [1,0,0,1,0,0|1,0,0]=3 17996 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [1,0,0,1,0,0|2,0,0]=4 17997 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [1,0,0,1,0,0|2,0,0]=4 17998 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [1,0,0,1,0,0|2,0,0]=4 17999 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [1,0,0,1,0,0|1,0,0]=3 18000 B11R1.172 CC(=O)OCCN1CCSC1 269982a_100011215254_100009814007 [1,0,0,1,0,0|2,0,0]=4 18001 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [1,0,0,1,0,0|1,0,0]=3 18002 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [1,0,0,1,0,0|2,0,0]=4 18003 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [1,0,0,1,0,0|1,0,0]=3 18004 B11R1.172 CC(=O)OCOC1CCCO1 34a_100000085407_100009813279 [1,0,0,1,0,0|2,0,0]=4 18005 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [1,0,0,1,0,0|2,0,0]=4 18006 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [1,0,0,1,0,0|1,0,0]=3 18007 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [1,0,0,1,0,0|1,0,0]=3 18008 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [1,0,0,1,0,0|2,0,0]=4 18009 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [1,0,0,1,0,0|1,0,1]=4 18010 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [1,0,0,1,0,0|1,0,1]=4 18011 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [1,0,0,1,0,0|1,0,1]=4 18012 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 18013 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [1,0,0,1,0,0|2,0,0]=4 18014 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 18015 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [1,0,0,1,0,0|2,0,0]=4 18016 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 18017 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 18018 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 18019 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 18020 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [1,0,0,1,0,0|2,0,0]=4 18021 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [1,0,0,1,0,0|2,0,0]=4 18022 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [1,0,0,1,0,0|2,0,0]=4 18023 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [1,0,0,1,0,0|2,0,0]=4 18024 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 18025 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [1,0,0,1,0,0|2,0,0]=4 18026 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 18027 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [1,0,0,1,0,0|2,0,0]=4 18028 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [1,0,0,1,0,0|2,0,0]=4 18029 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [1,0,0,1,0,0|2,0,0]=4 18030 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [1,0,0,1,0,0|2,0,0]=4 18031 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [1,0,0,1,0,0|2,0,0]=4 18032 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 18033 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 18034 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [1,0,0,1,0,0|2,0,0]=4 18035 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [1,0,0,1,0,0|2,0,0]=4 18036 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [1,0,0,1,0,0|2,0,0]=4 18037 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|2,0,0]=4 18038 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [1,0,0,1,0,0|2,0,0]=4 18039 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [1,0,0,1,0,0|2,0,0]=4 18040 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [1,0,0,1,0,0|2,0,0]=4 18041 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [1,0,0,1,0,0|2,0,0]=4 18042 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [1,0,0,1,0,0|1,0,0]=3 18043 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [1,0,0,1,0,0|2,0,0]=4 18044 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [1,0,0,1,0,0|2,0,0]=4 18045 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [1,0,0,1,0,0|2,0,0]=4 18046 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [1,0,0,1,0,0|2,0,0]=4 18047 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [1,0,0,1,0,0|2,0,0]=4 18048 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [1,0,0,1,0,0|2,0,0]=4 18049 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [1,0,0,1,0,0|2,0,0]=4 18050 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [1,0,0,1,0,0|2,0,0]=4 18051 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [1,0,0,1,0,0|1,0,0]=3 18052 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [1,0,0,1,0,0|1,0,0]=3 18053 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [1,0,0,1,0,0|1,0,0]=3 18054 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [1,0,0,1,0,0|1,0,0]=3 18055 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [1,0,0,1,0,0|2,0,0]=4 18056 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [1,0,0,1,0,0|2,0,0]=4 18057 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [1,0,0,1,0,0|2,0,0]=4 18058 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [1,0,0,1,0,0|1,0,0]=3 18059 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [1,0,0,1,0,0|2,0,0]=4 18060 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [1,0,0,1,0,0|1,0,0]=3 18061 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [1,0,0,1,0,0|1,0,0]=3 18062 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [1,0,0,1,0,0|2,0,0]=4 18063 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [1,0,0,1,0,0|2,0,0]=4 18064 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [1,0,0,1,0,0|2,0,0]=4 18065 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [1,0,0,1,0,0|2,0,0]=4 18066 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [1,0,0,1,0,0|1,0,0]=3 18067 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [1,0,0,1,0,0|1,0,0]=3 18068 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [1,0,0,1,0,0|2,0,0]=4 18069 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [1,0,0,1,0,0|2,0,0]=4 18070 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [1,0,0,1,0,0|2,0,0]=4 18071 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [1,0,0,1,0,0|2,0,0]=4 18072 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [1,0,0,1,0,0|2,0,0]=4 18073 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [1,0,0,1,0,0|2,0,0]=4 18074 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [1,0,0,1,0,0|2,0,0]=4 18075 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [1,0,0,1,0,0|1,0,0]=3 18076 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [1,0,0,1,0,0|1,0,0]=3 18077 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [1,0,0,1,0,0|1,0,0]=3 18078 B11R1.174 CC(=O)OCCOC1CSC1 7a_100000072292_100009814007 [1,0,0,1,0,0|2,0,0]=4 18079 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [1,0,0,1,0,0|1,0,0]=3 18080 B11R1.174 CC(=O)OCCSC1COC1 62a_100009814007_100009818527 [1,0,0,1,0,0|2,0,0]=4 18081 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [1,0,0,1,0,0|1,0,0]=3 18082 B11R1.174 CC(=O)OCNCC1COC1 34a_100015281925_100009813279 [1,0,0,1,0,0|2,0,0]=4 18083 B11R1.174 CC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100009813279 [1,0,0,1,0,0|2,0,0]=4 18084 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [1,0,0,1,0,0|1,0,0]=3 18085 B11R1.174 CC(=O)OCOCC1CCO1 34a_100000039022_100009813279 [1,0,0,1,0,0|2,0,0]=4 18086 B11R1.174 CC(=O)OCOCC1CNC1 34a_100016987283_100009813279 [1,0,0,1,0,0|2,0,0]=4 18087 B11R1.174 CC(=O)OCOCC1COC1 34a_100000060846_100009813279 [1,0,0,1,0,0|2,0,0]=4 18088 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [1,0,0,1,0,0|1,0,0]=3 18089 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [1,0,0,1,0,0|1,0,0]=3 18090 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000076356_100000103362 [1,0,0,1,0,0|2,0,0]=4 18091 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000103362_100000076356 [1,0,0,1,0,0|2,0,0]=4 18092 B11R1.174 CC(=O)OCSCC1COC1 62a_100000076356_100010264016 [1,0,0,1,0,0|2,0,0]=4 18093 B11R1.174 CC(=O)OCSCC1COC1 62a_100010264016_100000076356 [1,0,0,1,0,0|2,0,0]=4 18094 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [1,0,0,1,0,0|1,1,0]=4 18095 B11R1.174 CC(=S)OCCCN1CCC1 269982a_100000754969_200135323944 [1,0,0,1,0,0|1,1,0]=4 18096 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [1,0,0,1,0,0|2,0,0]=4 18097 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [1,0,0,1,0,0|2,0,0]=4 18098 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [1,0,0,1,0,0|2,0,0]=4 18099 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [1,0,0,1,0,0|2,0,0]=4 18100 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [1,0,0,1,0,0|2,0,0]=4 18101 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [1,0,0,1,0,0|2,0,0]=4 18102 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [1,0,0,1,0,0|2,0,0]=4 18103 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [1,0,0,1,0,0|2,0,0]=4 18104 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 18105 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [1,0,0,1,0,0|2,0,0]=4 18106 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 18107 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [1,0,0,1,0,0|2,0,0]=4 18108 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [1,0,0,1,0,0|2,0,0]=4 18109 B11R1.174 NC(=O)OCCNC1CCC1 34a_100000749019_200011214921 [1,0,0,1,0,0|2,0,0]=4 18110 B11R1.174 NC(=O)OCCOC1CCC1 34a_100000748187_200011214921 [1,0,0,1,0,0|2,0,0]=4 18111 B11R1.174 NC(=O)OCCSC1CCC1 62a_200011214921_100000749161 [1,0,0,1,0,0|2,0,0]=4 18112 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [1,0,0,1,0,0|2,0,0]=4 18113 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [1,0,0,1,0,0|2,0,0]=4 18114 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [1,0,0,1,0,0|2,0,0]=4 18115 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [1,0,0,1,0,0|2,0,0]=4 18116 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [1,0,0,1,0,0|2,0,0]=4 18117 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [1,0,0,1,0,0|2,0,0]=4 18118 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [1,0,0,1,0,0|1,0,0]=3 18119 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [1,0,0,1,0,0|1,0,0]=3 18120 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [1,0,0,1,0,0|1,0,0]=3 18121 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [1,0,0,1,0,0|1,0,0]=3 18122 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [1,0,0,1,0,0|1,0,0]=3 18123 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [1,0,0,1,0,0|1,0,0]=3 18124 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [1,0,0,1,0,0|2,0,0]=4 18125 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [1,0,0,1,0,0|2,0,0]=4 18126 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [1,0,0,1,0,0|2,0,0]=4 18127 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [1,0,0,1,0,0|2,0,0]=4 18128 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [1,0,0,1,0,0|2,0,0]=4 18129 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [1,0,0,1,0,0|1,0,0]=3 18130 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [1,0,0,1,0,0|1,0,0]=3 18131 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [1,0,0,1,0,0|2,0,0]=4 18132 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [1,0,0,1,0,0|2,0,0]=4 18133 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [1,0,0,1,0,0|2,0,0]=4 18134 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [1,0,0,1,0,0|2,0,0]=4 18135 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [1,0,0,1,0,0|2,0,0]=4 18136 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [1,0,0,1,0,0|2,0,0]=4 18137 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|1,0,0]=3 18138 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|1,0,0]=3 18139 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|1,0,0]=3 18140 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [1,0,0,1,0,0|2,0,0]=4 18141 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [1,0,0,1,0,0|2,0,0]=4 18142 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|1,0,0]=3 18143 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|1,0,0]=3 18144 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [1,0,0,1,0,0|2,0,0]=4 18145 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [1,0,0,1,0,0|2,0,0]=4 18146 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [1,0,0,1,0,0|2,0,0]=4 18147 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [1,0,0,1,0,0|2,0,0]=4 18148 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [1,0,0,1,0,0|2,0,0]=4 18149 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [1,0,0,1,0,0|2,0,0]=4 18150 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [1,0,0,1,0,0|2,0,0]=4 18151 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [1,0,0,1,0,0|2,0,0]=4 18152 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [1,0,0,1,0,0|2,0,0]=4 18153 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [1,0,0,1,0,0|2,0,0]=4 18154 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [1,0,0,1,0,0|2,0,0]=4 18155 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [1,0,0,1,0,0|1,0,0]=3 18156 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [1,0,0,1,0,0|1,0,0]=3 18157 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [1,0,0,1,0,0|1,0,0]=3 18158 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [1,0,0,1,0,0|1,0,0]=3 18159 B11R1.176 CC(=O)OCCOC[C@@H]1CO1 34a_100000757423_100009814007 [1,0,0,1,0,0|2,0,0]=4 18160 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [1,0,0,1,0,0|1,0,0]=3 18161 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [1,0,0,1,0,0|1,0,0]=3 18162 B11R1.176 CC(=O)OCCSCC1CO1 62a_100009814007_102125554688 [1,0,0,1,0,0|2,0,0]=4 18163 B11R1.176 CC(=O)OCCSCC1CO1 62a_102125554688_100009814007 [1,0,0,1,0,0|2,0,0]=4 18164 B11R1.176 CC(=O)OCCSCC1CS1 62a_100000031435_100009814007 [1,0,0,1,0,0|2,0,0]=4 18165 B11R1.176 CC(=O)OCCSCC1CS1 62a_100009814007_100000031435 [1,0,0,1,0,0|2,0,0]=4 18166 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100000745022_100009814007 [1,0,0,1,0,0|2,0,0]=4 18167 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100009814007_100000745022 [1,0,0,1,0,0|2,0,0]=4 18168 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [1,0,0,1,0,0|1,0,0]=3 18169 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [1,0,0,1,0,0|1,0,0]=3 18170 B11R1.176 CC(=O)OCOCC[C@@H]1CO1 34a_100009820653_100009813279 [1,0,0,1,0,0|2,0,0]=4 18171 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [1,0,0,1,0,0|1,0,0]=3 18172 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [1,0,0,1,0,0|1,0,0]=3 18173 B11R1.176 CC(=O)OCSCCC1CO1 62a_100000076356_100000732470 [1,0,0,1,0,0|2,0,0]=4 18174 B11R1.176 CC(=O)OCSCCC1CO1 62a_100000732470_100000076356 [1,0,0,1,0,0|2,0,0]=4 18175 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [1,0,0,1,0,0|1,1,0]=4 18176 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [1,0,0,1,0,0|1,1,0]=4 18177 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [1,0,0,1,0,0|1,1,0]=4 18178 B11R1.176 CC(=S)OCCCNC1CC1 34a_100000212008_200135323944 [1,0,0,1,0,0|1,1,0]=4 18179 B11R1.176 CC(=S)OCCCSC1CC1 62a_200135323944_100000211595 [1,0,0,1,0,0|1,1,0]=4 18180 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [1,0,0,1,0,0|2,0,0]=4 18181 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [1,0,0,1,0,0|2,0,0]=4 18182 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [1,0,0,1,0,0|2,0,0]=4 18183 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [1,0,0,1,0,0|2,0,0]=4 18184 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [1,0,0,1,0,0|2,0,0]=4 18185 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [1,0,0,1,0,0|2,0,0]=4 18186 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [1,0,0,1,0,0|2,0,0]=4 18187 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [1,0,0,1,0,0|2,0,0]=4 18188 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [1,0,0,1,0,0|2,0,0]=4 18189 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [1,0,0,1,0,0|2,0,0]=4 18190 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [1,0,0,1,0,0|2,0,0]=4 18191 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [1,0,0,1,0,0|2,0,0]=4 18192 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [1,0,0,1,0,0|2,0,0]=4 18193 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [1,0,0,1,0,0|2,0,0]=4 18194 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [1,0,0,1,0,0|2,0,0]=4 18195 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [1,0,0,1,0,0|2,0,0]=4 18196 B11R1.176 NC(=O)OCCNCC1CC1 34a_100000735609_200011214921 [1,0,0,1,0,0|2,0,0]=4 18197 B11R1.176 NC(=O)OCCOCC1CC1 34a_100000211283_200011214921 [1,0,0,1,0,0|2,0,0]=4 18198 B11R1.176 NC(=O)OCCOCC1CC1 7a_100000766696_100000742324 [1,0,0,1,0,0|2,0,0]=4 18199 B11R1.176 NC(=O)OCCSCC1CC1 62a_100000756562_200011214921 [1,0,0,1,0,0|2,0,0]=4 18200 B11R1.176 NC(=O)OCCSCC1CC1 62a_200011214921_100000742324 [1,0,0,1,0,0|2,0,0]=4 18201 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [1,0,0,1,0,0|2,0,0]=4 18202 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [1,0,0,1,0,0|2,0,0]=4 18203 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [1,0,0,1,0,0|2,0,0]=4 18204 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [1,0,0,1,0,0|2,0,0]=4 18205 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|2,0,0]=4 18206 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 18207 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 18208 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 18209 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [1,0,0,1,0,0|2,0,0]=4 18210 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [1,0,0,1,0,0|2,0,0]=4 18211 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|2,0,0]=4 18212 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [1,0,0,1,0,0|0,0,2]=4 18213 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 18214 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 18215 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 18216 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|1,0,0]=3 18217 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [1,0,0,1,0,0|2,0,0]=4 18218 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 18219 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 18220 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 18221 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [1,0,0,1,0,0|0,0,2]=4 18222 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|0,0,0]=2 18223 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|0,0,0]=2 18224 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [1,0,0,1,0,0|1,0,0]=3 18225 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 18226 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 18227 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 18228 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|1,0,0]=3 18229 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [1,0,0,1,0,0|1,0,1]=4 18230 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [1,0,0,1,0,0|1,0,1]=4 18231 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [1,0,0,1,0,0|1,0,1]=4 18232 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [1,0,0,1,0,0|2,0,0]=4 18233 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [1,0,0,1,0,0|2,0,0]=4 18234 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [1,0,0,1,0,0|2,0,0]=4 18235 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 18236 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 18237 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [1,0,0,1,0,0|2,0,0]=4 18238 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [1,0,0,1,0,0|2,0,0]=4 18239 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [1,0,0,1,0,0|0,0,2]=4 18240 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|0,0,0]=2 18241 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [1,0,0,1,0,0|1,0,0]=3 18242 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [1,0,0,1,0,0|2,0,0]=4 18243 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [1,0,0,1,0,0|2,0,0]=4 18244 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [1,0,0,1,0,0|2,0,0]=4 18245 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [1,0,0,1,0,0|2,0,0]=4 18246 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [1,0,0,1,0,0|2,0,0]=4 18247 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [1,0,0,1,0,0|2,0,0]=4 18248 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [1,0,0,1,0,0|2,0,0]=4 18249 B11R1.4 C=COCCNC1CCCC1 2230a_100000211070_100000039644 [1,0,0,1,0,0|1,0,1]=4 18250 B11R1.4 C=COCCNC1CCCC1 34a_100000211070_100000039644 [1,0,0,1,0,0|1,0,1]=4 18251 B11R1.4 C=COCCOC1CCCC1 34a_100000033082_100000179811 [1,0,0,1,0,0|1,0,1]=4 18252 B11R1.4 C=COCCOC1CCCC1 34a_100000210269_100000039644 [1,0,0,1,0,0|1,0,1]=4 18253 B11R1.4 C=COCCOC1CCCC1 7a_100000210269_100000039644 [1,0,0,1,0,0|1,0,1]=4 18254 B11R1.4 C=COCCSC1CCCC1 62a_100000039644_100000179811 [1,0,0,1,0,0|1,0,1]=4 18255 B11R1.4 C=COCCSC1CCCC1 62a_100011217020_100000039644 [1,0,0,1,0,0|1,0,1]=4 18256 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [1,0,0,1,0,0|2,0,0]=4 18257 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [1,0,0,1,0,0|2,0,0]=4 18258 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [1,0,0,1,0,0|2,0,0]=4 18259 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [1,0,0,1,0,0|2,0,0]=4 18260 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [1,0,0,1,0,0|2,0,0]=4 18261 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [1,0,0,1,0,0|2,0,0]=4 18262 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [1,0,0,1,0,0|2,0,0]=4 18263 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [1,0,0,1,0,0|2,0,0]=4 18264 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [1,0,0,1,0,0|1,0,1]=4 18265 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [1,0,0,1,0,0|1,0,1]=4 18266 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [1,0,0,1,0,0|1,0,1]=4 18267 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [1,0,0,1,0,0|1,0,1]=4 18268 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [1,0,0,1,0,0|1,0,1]=4 18269 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [1,0,0,1,0,0|1,0,1]=4 18270 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [1,0,0,1,0,0|1,0,1]=4 18271 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [1,0,0,1,0,0|1,0,1]=4 18272 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [1,0,0,1,0,0|1,0,1]=4 18273 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [1,0,0,1,0,0|1,0,1]=4 18274 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [1,0,0,1,0,0|1,0,1]=4 18275 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [1,0,0,1,0,0|1,0,1]=4 18276 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [1,0,0,1,0,0|1,0,1]=4 18277 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [1,0,0,1,0,0|2,0,0]=4 18278 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [1,0,0,1,0,0|1,0,1]=4 18279 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [1,0,0,1,0,0|1,0,1]=4 18280 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [1,0,0,1,0,0|1,0,1]=4 18281 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [1,0,0,1,0,0|1,0,1]=4 18282 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [1,0,0,1,0,0|1,0,1]=4 18283 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [1,0,0,1,0,0|1,0,1]=4 18284 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 18285 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,1,0,0|1,0,1]=4 18286 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 18287 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,1,0,0|0,0,1]=3 18288 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,1,0,0|0,0,1]=3 18289 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,1,0,0|0,0,1]=3 18290 B11R1.4 CCOCCCN1CCCC1 2230a_100000188435_100012232248 [1,0,0,1,0,0|1,0,1]=4 18291 B11R1.4 CCOCCCN1CCCC1 269982a_100000188435_100012232248 [1,0,0,1,0,0|1,0,1]=4 18292 B11R1.4 CCOCCCN1CCCC1 34a_100121572206_100016991639 [1,0,0,1,0,0|1,0,1]=4 18293 B11R1.4 CCOCCNC1CCCC1 2230a_100000211070_100011215890 [1,0,0,1,0,0|1,0,1]=4 18294 B11R1.4 CCOCCNC1CCCC1 2230a_102516460346_100000179811 [1,0,0,1,0,0|1,0,1]=4 18295 B11R1.4 CCOCCNC1CCCC1 270004a_102516460346_100000210133 [1,0,0,1,0,0|1,0,1]=4 18296 B11R1.4 CCOCCNC1CCCC1 34a_100000211070_100000210147 [1,0,0,1,0,0|1,0,1]=4 18297 B11R1.4 CCOCCNC1CCCC1 34a_102516460346_100000179811 [1,0,0,1,0,0|1,0,1]=4 18298 B11R1.4 CCOCCNC1CCCC1 34a_200000200444_100000210202 [1,0,0,1,0,0|1,0,1]=4 18299 B11R1.4 CCOCCOC1CCCC1 34a_100000210136_100000179811 [1,0,0,1,0,0|1,0,1]=4 18300 B11R1.4 CCOCCOC1CCCC1 34a_100000210269_100000210147 [1,0,0,1,0,0|1,0,1]=4 18301 B11R1.4 CCOCCOC1CCCC1 34a_100000738311_100000210202 [1,0,0,1,0,0|1,0,1]=4 18302 B11R1.4 CCOCCOC1CCCC1 7a_100000210136_100000179811 [1,0,0,1,0,0|1,0,1]=4 18303 B11R1.4 CCOCCOC1CCCC1 7a_100000210269_100011215890 [1,0,0,1,0,0|1,0,1]=4 18304 B11R1.4 CCOCCOC1CCCC1 7a_100000738311_100000210202 [1,0,0,1,0,0|1,0,1]=4 18305 B11R1.4 CCOCCSC1CCCC1 62a_100000210147_100000179811 [1,0,0,1,0,0|1,0,1]=4 18306 B11R1.4 CCOCCSC1CCCC1 62a_100011217020_100011215890 [1,0,0,1,0,0|1,0,1]=4 18307 B11R1.4 CCOCSCC1CCCC1 62a_100000739092_100000740388 [1,0,0,1,0,0|1,0,1]=4 18308 B11R1.4 CCOCSCC1CCCC1 62a_100000740388_100000739092 [1,0,0,1,0,0|1,0,1]=4 18309 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,1,0,0|0,1,1]=4 18310 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,1,0,0|0,1,1]=4 18311 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [1,0,0,1,0,0|1,0,1]=4 18312 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [1,0,0,1,0,0|1,0,1]=4 18313 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [1,0,0,1,0,0|2,0,0]=4 18314 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [1,0,0,1,0,0|2,0,0]=4 18315 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|2,0,0]=4 18316 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|2,0,0]=4 18317 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|2,0,0]=4 18318 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|2,0,0]=4 18319 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|2,0,0]=4 18320 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|2,0,0]=4 18321 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|2,0,0]=4 18322 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|2,0,0]=4 18323 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|2,0,0]=4 18324 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|2,0,0]=4 18325 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 18326 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [1,0,0,1,0,0|2,0,0]=4 18327 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 18328 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,0,1,0,0|2,0,0]=4 18329 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,0,1,0,0|2,0,0]=4 18330 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [1,0,0,1,0,0|2,0,0]=4 18331 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [1,0,0,1,0,0|2,0,0]=4 18332 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [1,0,0,1,0,0|2,0,0]=4 18333 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [1,0,0,1,0,0|2,0,0]=4 18334 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|2,0,0]=4 18335 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|2,0,0]=4 18336 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|2,0,0]=4 18337 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|2,0,0]=4 18338 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [1,0,0,1,0,0|2,0,0]=4 18339 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [1,0,0,1,0,0|2,0,0]=4 18340 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 18341 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 18342 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [1,0,0,1,0,0|2,0,0]=4 18343 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [1,0,0,1,0,0|2,0,0]=4 18344 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [1,0,0,1,0,0|2,0,0]=4 18345 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [1,0,0,1,0,0|2,0,0]=4 18346 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [1,0,0,1,0,0|2,0,0]=4 18347 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [1,0,0,1,0,0|2,0,0]=4 18348 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [1,0,0,1,0,0|2,0,0]=4 18349 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [1,0,0,1,0,0|2,0,0]=4 18350 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,0,1,0,0|2,0,0]=4 18351 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,0,1,0,0|2,0,0]=4 18352 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [1,0,0,1,0,0|1,0,1]=4 18353 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [1,0,0,1,0,0|1,0,1]=4 18354 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [1,0,0,1,0,0|1,0,1]=4 18355 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [1,0,0,1,0,0|2,0,0]=4 18356 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [1,0,0,1,0,0|2,0,0]=4 18357 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [1,0,0,1,0,0|2,0,0]=4 18358 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [1,0,0,1,0,0|2,0,0]=4 18359 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|2,0,0]=4 18360 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|2,0,0]=4 18361 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [1,0,0,1,0,0|1,0,1]=4 18362 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [1,0,0,1,0,0|1,0,1]=4 18363 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [1,0,0,1,0,0|1,0,1]=4 18364 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [1,0,0,1,0,0|2,0,0]=4 18365 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [1,0,0,1,0,0|2,0,0]=4 18366 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [1,0,0,1,0,0|2,0,0]=4 18367 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [1,0,0,1,0,0|2,0,0]=4 18368 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [1,0,0,1,0,0|2,0,0]=4 18369 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [1,0,0,1,0,0|2,0,0]=4 18370 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [1,0,0,1,0,0|2,0,0]=4 18371 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [1,0,0,1,0,0|2,0,0]=4 18372 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [1,0,0,1,0,0|2,0,0]=4 18373 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [1,0,0,1,0,0|2,0,0]=4 18374 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [1,0,0,1,0,0|2,0,0]=4 18375 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [1,0,0,1,0,0|2,0,0]=4 18376 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [1,0,0,1,0,0|2,0,0]=4 18377 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [1,0,0,1,0,0|2,0,0]=4 18378 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [1,0,0,1,0,0|2,0,0]=4 18379 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [1,0,0,1,0,0|2,0,0]=4 18380 B11R1.28 CCCCCN1CCOCC1 2230a_100015191051_100000210326 [1,0,0,1,0,0|1,0,1]=4 18381 B11R1.28 CCCCCN1CCOCC1 269982a_100015191051_100000210215 [1,0,0,1,0,0|1,0,1]=4 18382 B11R1.28 CCCCCN1CCOCC1 34a_100015191051_100000718602 [1,0,0,1,0,0|1,0,1]=4 18383 B11R1.28 CCCCNC1CCOCC1 2230a_100000741149_100000210211 [1,0,0,1,0,0|1,0,1]=4 18384 B11R1.28 CCCCNC1CCOCC1 270004a_100000102301_100011217826 [1,0,0,1,0,0|1,0,1]=4 18385 B11R1.28 CCCCNC1CCOCC1 34a_100000741149_100000210210 [1,0,0,1,0,0|1,0,1]=4 18386 B11R1.28 CCCCNC1CCOCC1 7a_106832991798_100000686592 [1,0,0,1,0,0|1,0,1]=4 18387 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,1,0,0|2,0,0]=4 18388 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [1,0,0,1,0,0|1,0,1]=4 18389 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [1,0,0,1,0,0|1,0,1]=4 18390 B11R1.28 CCCCSC1CCOCC1 62a_100000210211_100011324220 [1,0,0,1,0,0|1,0,1]=4 18391 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,1,0,0|2,0,0]=4 18392 B11R1.28 CCCNCC1CCOCC1 2230a_100000746373_100000210303 [1,0,0,1,0,0|1,0,1]=4 18393 B11R1.28 CCCNCC1CCOCC1 269862a_100020643023_100000749017 [1,0,0,1,0,0|1,0,1]=4 18394 B11R1.28 CCCNCC1CCOCC1 34a_100000746373_100000210303 [1,0,0,1,0,0|1,0,1]=4 18395 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,1,0,0|2,0,0]=4 18396 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [1,0,0,1,0,0|1,0,1]=4 18397 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [1,0,0,1,0,0|1,0,1]=4 18398 B11R1.28 CCCSCC1CCOCC1 62a_100000210303_100000749018 [1,0,0,1,0,0|1,0,1]=4 18399 B11R1.28 CCCSCC1CCOCC1 62a_100000754603_100000210303 [1,0,0,1,0,0|1,0,1]=4 18400 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 18401 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|1,0,1]=4 18402 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|1,0,1]=4 18403 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 18404 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [1,0,0,1,0,0|1,0,1]=4 18405 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [1,0,0,1,0,0|1,0,1]=4 18406 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [1,0,0,1,0,0|1,0,1]=4 18407 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|0,0,1]=3 18408 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|0,0,1]=3 18409 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|0,0,1]=3 18410 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 18411 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [1,0,0,1,0,0|1,0,1]=4 18412 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [1,0,0,1,0,0|1,0,1]=4 18413 B11R1.28 CCOCCC1CCOCC1 34a_100011933979_100000210202 [1,0,0,1,0,0|1,0,1]=4 18414 B11R1.28 CCOCCC1CCOCC1 34a_100121572206_100011934994 [1,0,0,1,0,0|1,0,1]=4 18415 B11R1.28 CCOCCC1CCOCC1 7a_100011933979_100000210202 [1,0,0,1,0,0|1,0,1]=4 18416 B11R1.28 CCOCCN1CCCCC1 34a_100121572206_100000739454 [1,0,0,1,0,0|1,0,1]=4 18417 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [1,0,0,1,0,0|1,0,1]=4 18418 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [1,0,0,1,0,0|1,0,1]=4 18419 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [1,0,0,1,0,0|1,0,1]=4 18420 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|0,1,1]=4 18421 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|0,1,1]=4 18422 B11R1.28 CCSCCC1CCOCC1 62a_100000210202_100011934994 [1,0,0,1,0,0|1,0,1]=4 18423 B11R1.28 CCSCCC1CCOCC1 62a_100011934994_100000210202 [1,0,0,1,0,0|1,0,1]=4 18424 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|2,0,0]=4 18425 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|2,0,0]=4 18426 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|2,0,0]=4 18427 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|2,0,0]=4 18428 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|2,0,0]=4 18429 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|2,0,0]=4 18430 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|2,0,0]=4 18431 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|2,0,0]=4 18432 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|2,0,0]=4 18433 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|2,0,0]=4 18434 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [1,0,0,1,0,0|1,0,1]=4 18435 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [1,0,0,1,0,0|1,0,1]=4 18436 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|2,0,0]=4 18437 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|2,0,0]=4 18438 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|2,0,0]=4 18439 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|2,0,0]=4 18440 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|2,0,0]=4 18441 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|2,0,0]=4 18442 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|2,0,0]=4 18443 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|2,0,0]=4 18444 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|2,0,0]=4 18445 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|2,0,0]=4 18446 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|2,0,0]=4 18447 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|2,0,0]=4 18448 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [1,0,0,1,0,0|1,0,1]=4 18449 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [1,0,0,1,0,0|1,0,1]=4 18450 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|2,0,0]=4 18451 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|2,0,0]=4 18452 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|2,0,0]=4 18453 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|2,0,0]=4 18454 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|2,0,0]=4 18455 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|2,0,0]=4 18456 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|2,0,0]=4 18457 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|2,0,0]=4 18458 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|2,0,0]=4 18459 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 18460 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,1]=4 18461 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 18462 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 18463 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 18464 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|0,0,1]=3 18465 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|0,0,1]=3 18466 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 18467 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [1,0,0,1,0,0|1,0,1]=4 18468 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [1,0,0,1,0,0|1,0,1]=4 18469 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 18470 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 18471 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [1,0,0,1,0,0|2,0,0]=4 18472 B11R1.47 C=COCCCNC1CCC1 270004a_100000210767_100000241760 [1,0,0,1,0,0|1,0,1]=4 18473 B11R1.47 C=COCCCNC1CCC1 34a_100000210767_100000749161 [1,0,0,1,0,0|1,0,1]=4 18474 B11R1.47 C=COCCNCC1CCC1 2230a_100000738700_100000039644 [1,0,0,1,0,0|1,0,1]=4 18475 B11R1.47 C=COCCNCC1CCC1 34a_100000738700_100000039644 [1,0,0,1,0,0|1,0,1]=4 18476 B11R1.47 C=COCCOCC1CCC1 34a_100000033082_100000763275 [1,0,0,1,0,0|1,0,1]=4 18477 B11R1.47 C=COCCOCC1CCC1 34a_100000760304_100000039644 [1,0,0,1,0,0|1,0,1]=4 18478 B11R1.47 C=COCCSCC1CCC1 62a_100000039644_100000763275 [1,0,0,1,0,0|1,0,1]=4 18479 B11R1.47 C=COCCSCC1CCC1 62a_100000763275_100000039644 [1,0,0,1,0,0|1,0,1]=4 18480 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [1,0,0,1,0,0|2,0,0]=4 18481 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,1]=4 18482 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,1]=4 18483 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,1]=4 18484 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,1]=4 18485 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 18486 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 18487 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,1]=4 18488 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,1]=4 18489 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [1,0,0,1,0,0|1,0,1]=4 18490 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [1,0,0,1,0,0|1,0,1]=4 18491 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [1,0,0,1,0,0|1,0,1]=4 18492 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [1,0,0,1,0,0|1,0,1]=4 18493 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [1,0,0,1,0,0|1,0,1]=4 18494 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [1,0,0,1,0,0|1,0,1]=4 18495 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [1,0,0,1,0,0|1,0,1]=4 18496 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [1,0,0,1,0,0|1,0,1]=4 18497 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [1,0,0,1,0,0|1,0,1]=4 18498 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [1,0,0,1,0,0|1,0,1]=4 18499 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [1,0,0,1,0,0|1,0,1]=4 18500 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [1,0,0,1,0,0|1,0,1]=4 18501 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [1,0,0,1,0,0|1,0,1]=4 18502 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [1,0,0,1,0,0|1,0,1]=4 18503 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [1,0,0,1,0,0|1,0,1]=4 18504 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [1,0,0,1,0,0|1,0,1]=4 18505 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [1,0,0,1,0,0|1,0,1]=4 18506 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [1,0,0,1,0,0|2,0,0]=4 18507 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [1,0,0,1,0,0|2,0,0]=4 18508 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [1,0,0,1,0,0|2,0,0]=4 18509 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|2,0,0]=4 18510 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|2,0,0]=4 18511 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|2,0,0]=4 18512 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 18513 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 18514 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 18515 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [1,0,0,1,0,0|1,0,1]=4 18516 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 18517 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|0,0,1]=3 18518 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|0,0,1]=3 18519 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|2,0,0]=4 18520 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|2,0,0]=4 18521 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [1,0,0,1,0,0|1,0,1]=4 18522 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [1,0,0,1,0,0|1,0,1]=4 18523 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|2,0,0]=4 18524 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|2,0,0]=4 18525 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|2,0,0]=4 18526 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|2,0,0]=4 18527 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|2,0,0]=4 18528 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [1,0,0,1,0,0|2,0,0]=4 18529 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [1,0,0,1,0,0|2,0,0]=4 18530 B11R1.180 C=COCCN1CCC[C@@H]1C 2230a_100020605311_100000039644 [1,0,0,1,0,0|1,0,1]=4 18531 B11R1.180 C=COCCN1CCC[C@@H]1C 269982a_100020605311_100000039644 [1,0,0,1,0,0|1,0,1]=4 18532 B11R1.180 C=COCCN1CCC[C@H]1C 2230a_100015189458_100000039644 [1,0,0,1,0,0|1,0,1]=4 18533 B11R1.180 C=COCCN1CCC[C@H]1C 269982a_100015189458_100000039644 [1,0,0,1,0,0|1,0,1]=4 18534 B11R1.180 C=COCCN1CCC[C@H]1C 34a_100015189458_100000039644 [1,0,0,1,0,0|1,0,1]=4 18535 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [1,0,0,1,0,0|2,0,0]=4 18536 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [1,0,0,1,0,0|2,0,0]=4 18537 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|2,0,0]=4 18538 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|2,0,0]=4 18539 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [1,0,0,1,0,0|2,0,0]=4 18540 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [1,0,0,1,0,0|2,0,0]=4 18541 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|1,0,0]=3 18542 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|1,0,0]=3 18543 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [1,0,0,1,0,0|1,0,1]=4 18544 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|2,0,0]=4 18545 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|2,0,0]=4 18546 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|2,0,0]=4 18547 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|1,0,0]=3 18548 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|1,0,0]=3 18549 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [1,0,0,1,0,0|2,0,0]=4 18550 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|2,0,0]=4 18551 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|2,0,0]=4 18552 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|1,0,0]=3 18553 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|1,0,0]=3 18554 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [1,0,0,1,0,0|2,0,0]=4 18555 B11R1.180 CCOCCC1CCCN1C 34a_100011215177_100000210202 [1,0,0,1,0,0|1,0,1]=4 18556 B11R1.180 CCOCCC1CCCN1C 34a_100121572206_100000005710 [1,0,0,1,0,0|1,0,1]=4 18557 B11R1.180 CCOCCC1CCCN1C 7a_100011215177_100000210202 [1,0,0,1,0,0|1,0,1]=4 18558 B11R1.180 CCOCCN1CCC[C@@H]1C 2230a_100020605311_100011215890 [1,0,0,1,0,0|1,0,1]=4 18559 B11R1.180 CCOCCN1CCC[C@@H]1C 269982a_100020605311_100011215890 [1,0,0,1,0,0|1,0,1]=4 18560 B11R1.180 CCOCCN1CCC[C@H]1C 2230a_100015189458_100011215890 [1,0,0,1,0,0|1,0,1]=4 18561 B11R1.180 CCOCCN1CCC[C@H]1C 269982a_100015189458_100011215890 [1,0,0,1,0,0|1,0,1]=4 18562 B11R1.180 CCOCCN1CCC[C@H]1C 34a_100015189458_100000210147 [1,0,0,1,0,0|1,0,1]=4 18563 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [1,0,0,1,0,0|2,0,0]=4 18564 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [1,0,0,1,0,0|2,0,0]=4 18565 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [1,0,0,1,0,0|2,0,0]=4 18566 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [1,0,0,1,0,0|2,0,0]=4 18567 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [1,0,0,1,0,0|2,0,0]=4 18568 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [1,0,0,1,0,0|2,0,0]=4 18569 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [1,0,0,1,0,0|2,0,0]=4 18570 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [1,0,0,1,0,0|2,0,0]=4 18571 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [1,0,0,1,0,0|2,0,0]=4 18572 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [1,0,0,1,0,0|2,0,0]=4 18573 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [1,0,0,1,0,0|2,0,0]=4 18574 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|2,0,0]=4 18575 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|2,0,0]=4 18576 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|2,0,0]=4 18577 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|2,0,0]=4 18578 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [1,0,0,1,0,0|2,0,0]=4 18579 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [1,0,0,1,0,0|2,0,0]=4 18580 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [1,0,0,1,0,0|2,0,0]=4 18581 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [1,0,0,1,0,0|2,0,0]=4 18582 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [1,0,0,1,0,0|2,0,0]=4 18583 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [1,0,0,1,0,0|2,0,0]=4 18584 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [1,0,0,1,0,0|2,0,0]=4 18585 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [1,0,0,1,0,0|2,0,0]=4 18586 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [1,0,0,1,0,0|2,0,0]=4 18587 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [1,0,0,1,0,0|2,0,0]=4 18588 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [1,0,0,1,0,0|2,0,0]=4 18589 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|2,0,0]=4 18590 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|2,0,0]=4 18591 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|2,0,0]=4 18592 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|2,0,0]=4 18593 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,1,0,0|2,0,0]=4 18594 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,1,0,0|2,0,0]=4 18595 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [1,0,0,1,0,0|1,0,1]=4 18596 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [1,0,0,1,0,0|1,0,1]=4 18597 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [1,0,0,1,0,0|2,0,0]=4 18598 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [1,0,0,1,0,0|2,0,0]=4 18599 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [1,0,0,1,0,0|2,0,0]=4 18600 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [1,0,0,1,0,0|2,0,0]=4 18601 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [1,0,0,1,0,0|1,0,1]=4 18602 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [1,0,0,1,0,0|1,0,1]=4 18603 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [1,0,0,1,0,0|1,0,1]=4 18604 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 18605 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,1]=4 18606 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,1]=4 18607 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 18608 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|0,0,1]=3 18609 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|0,0,1]=3 18610 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|0,0,1]=3 18611 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [1,0,0,1,0,0|1,0,1]=4 18612 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|0,1,1]=4 18613 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|0,1,1]=4 18614 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|2,0,0]=4 18615 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|2,0,0]=4 18616 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [1,0,0,1,0,0|1,0,1]=4 18617 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [1,0,0,1,0,0|1,0,1]=4 18618 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|2,0,0]=4 18619 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|2,0,0]=4 18620 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|2,0,0]=4 18621 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|2,0,0]=4 18622 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|2,0,0]=4 18623 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|2,0,0]=4 18624 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|2,0,0]=4 18625 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|2,0,0]=4 18626 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 18627 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,1]=4 18628 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 18629 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|2,0,0]=4 18630 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,1,0,1,0,0|1,0,0]=3 18631 B13R1.27 CCCCCCCc1nc(no1)C 270196a_100000212224_100000211969 [0,1,0,1,0,0|1,0,1]=4 18632 B13R1.27 CCCCCCCc1noc(n1)C 270196a_200011216759_100000070787 [0,1,0,1,0,0|1,0,1]=4 18633 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,1,0,1,0,0|1,0,0]=3 18634 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,1,0,1,0,0|1,0,0]=3 18635 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,1,0,1,0,0|1,0,0]=3 18636 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|1,0,0]=3 18637 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|1,0,0]=3 18638 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,1,0,1,0,0|1,0,0]=3 18639 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,1,0,1,0,0|1,0,0]=3 18640 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|1,0,0]=3 18641 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,1,0,1,0,0|2,0,0]=4 18642 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,1,0,1,0,0|2,0,0]=4 18643 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,1,0,1,0,0|2,0,0]=4 18644 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,1,0,1,0,0|1,0,0]=3 18645 B13R1.27 CCCCCNN=C1COC(=O)C1 4a_100000694160_100000211896 [0,1,0,1,0,0|1,0,1]=4 18646 B13R1.27 CCCCCOCC1=CC(=O)OC1 34a_100000210253_100000716558 [0,1,0,1,0,0|0,0,2]=4 18647 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,1,0,1,0,0|2,0,0]=4 18648 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,1,0,1,0,0|1,0,0]=3 18649 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|1,0,0]=3 18650 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|1,0,0]=3 18651 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|1,0,0]=3 18652 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|1,0,0]=3 18653 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,1,0,1,0,0|2,0,0]=4 18654 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,1,0,1,0,0|1,0,0]=3 18655 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,1,0,1,0,0|1,0,0]=3 18656 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000210326_100000716558 [0,1,0,1,0,0|0,0,2]=4 18657 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210326 [0,1,0,1,0,0|0,0,2]=4 18658 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|1,0,0]=3 18659 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|1,0,0]=3 18660 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|1,0,0]=3 18661 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|1,0,0]=3 18662 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,1,0,1,0,0|2,0,0]=4 18663 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,1,0,1,0,0|2,0,0]=4 18664 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,1,0,1,0,0|1,0,0]=3 18665 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,1,0,1,0,0|1,0,0]=3 18666 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [0,1,0,1,0,0|2,0,0]=4 18667 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [0,1,0,1,0,0|2,0,0]=4 18668 B13R1.27 CCCCOCCN1CNC(=O)C1 2230a_200000708111_100000743108 [0,1,0,1,0,0|2,0,0]=4 18669 B13R1.27 CCCCOCNC1CNC(=O)C1 2230a_100000697751_100011995733 [0,1,0,1,0,0|2,0,0]=4 18670 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,1,0,1,0,0|2,0,0]=4 18671 B13R1.27 CCCCOCOC1CNC(=O)C1 34a_100000690082_100011995733 [0,1,0,1,0,0|2,0,0]=4 18672 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [0,1,0,1,0,0|2,0,0]=4 18673 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [0,1,0,1,0,0|2,0,0]=4 18674 B13R1.27 CCCOCCNC1CNC(=O)C1 2230a_100000697751_100011215938 [0,1,0,1,0,0|2,0,0]=4 18675 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [0,1,0,1,0,0|2,0,0]=4 18676 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,1,0,1,0,0|2,0,0]=4 18677 B13R1.27 CCCOCCOC1CNC(=O)C1 34a_100000690082_100011215938 [0,1,0,1,0,0|2,0,0]=4 18678 B13R1.27 CCCOCCOC1COC(=O)O1 34a_100000752267_100000032252 [0,1,0,1,0,0|2,0,0]=4 18679 B13R1.27 CCCOCCSC1COC(=O)O1 62a_100011215938_100000032252 [0,1,0,1,0,0|2,0,0]=4 18680 B13R1.27 CCCSCCOC1COC(=O)O1 34a_200000230433_100000032252 [0,1,0,1,0,0|2,0,0]=4 18681 B13R1.27 CCOCCCNC1CNC(=O)C1 2230a_100000697751_100012232248 [0,1,0,1,0,0|2,0,0]=4 18682 B13R1.27 CCOCCCNC1COC(=O)O1 34a_100000210961_100000032252 [0,1,0,1,0,0|2,0,0]=4 18683 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,1,0,1,0,0|2,0,0]=4 18684 B13R1.27 CCOCCCOC1CNC(=O)C1 34a_100000690082_100012232248 [0,1,0,1,0,0|2,0,0]=4 18685 B13R1.27 CCOCCCOC1COC(=O)O1 34a_100000757476_100000032252 [0,1,0,1,0,0|2,0,0]=4 18686 B13R1.27 CCOCCCSC1COC(=O)O1 62a_100012232248_100000032252 [0,1,0,1,0,0|2,0,0]=4 18687 B13R1.27 CCOCCNCC1CNC(=O)C1 2230a_100016993742_100011215890 [0,1,0,1,0,0|2,0,0]=4 18688 B13R1.27 CCOCCNCC1CNC(=O)C1 34a_100016993742_100000210147 [0,1,0,1,0,0|2,0,0]=4 18689 B13R1.27 CCOCCNCC1CNC(=O)O1 2230a_102516460346_100000181169 [0,1,0,1,0,0|2,0,0]=4 18690 B13R1.27 CCOCCNCC1CNC(=O)O1 34a_102516460346_100000181169 [0,1,0,1,0,0|2,0,0]=4 18691 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [0,1,0,1,0,0|2,0,0]=4 18692 B13R1.27 CCOCCNC[C@H]1COC(=O)N1 2230a_102516460346_100015307671 [0,1,0,1,0,0|2,0,0]=4 18693 B13R1.27 CCOCCNC[C@H]1COC(=O)N1 34a_102516460346_100015307671 [0,1,0,1,0,0|2,0,0]=4 18694 B13R1.27 CCOCCOCC1CNC(=O)C1 34a_100016041077_100000210147 [0,1,0,1,0,0|2,0,0]=4 18695 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100000210136_100000181169 [0,1,0,1,0,0|2,0,0]=4 18696 B13R1.27 CCOCCOCC1CNC(=O)O1 34a_100011315639_100000210147 [0,1,0,1,0,0|2,0,0]=4 18697 B13R1.27 CCOCCOCC1CNC(=O)O1 7a_100000210136_100000181169 [0,1,0,1,0,0|2,0,0]=4 18698 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [0,1,0,1,0,0|2,0,0]=4 18699 B13R1.27 CCOCCOC[C@H]1COC(=O)N1 34a_100000210136_100015307671 [0,1,0,1,0,0|2,0,0]=4 18700 B13R1.27 CCOCCOC[C@H]1COC(=O)N1 7a_100000210136_100015307671 [0,1,0,1,0,0|2,0,0]=4 18701 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000181169_100011215890 [0,1,0,1,0,0|2,0,0]=4 18702 B13R1.27 CCOCCSCC1CNC(=O)O1 62a_100000210147_100000181169 [0,1,0,1,0,0|2,0,0]=4 18703 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [0,1,0,1,0,0|2,0,0]=4 18704 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [0,1,0,1,0,0|2,0,0]=4 18705 B13R1.27 CCOCCSC[C@H]1COC(=O)N1 62a_100000210147_100015307671 [0,1,0,1,0,0|2,0,0]=4 18706 B13R1.27 CCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215890 [0,1,0,1,0,0|2,0,0]=4 18707 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [0,1,0,1,0,0|2,0,0]=4 18708 B13R1.27 CCSCCNCC1CNC(=O)C1 2230a_100016993742_100000757381 [0,1,0,1,0,0|2,0,0]=4 18709 B13R1.27 CCSCCNCC1CNC(=O)C1 34a_100016993742_100000757381 [0,1,0,1,0,0|2,0,0]=4 18710 B13R1.27 CCSCCNCC1CNC(=O)O1 2230a_100000106463_100000181169 [0,1,0,1,0,0|2,0,0]=4 18711 B13R1.27 CCSCCNC[C@H]1COC(=O)N1 2230a_100000106463_100015307671 [0,1,0,1,0,0|2,0,0]=4 18712 B13R1.27 CCSCCOCC1CNC(=O)C1 34a_100016041077_100000757381 [0,1,0,1,0,0|2,0,0]=4 18713 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100000212035_100000181169 [0,1,0,1,0,0|2,0,0]=4 18714 B13R1.27 CCSCCOCC1CNC(=O)O1 34a_100011315639_100000757381 [0,1,0,1,0,0|2,0,0]=4 18715 B13R1.27 CCSCCOCC1CNC(=O)O1 7a_100000212035_100000181169 [0,1,0,1,0,0|2,0,0]=4 18716 B13R1.27 CCSCCOCC1COC(=O)O1 34a_100000212035_100000073702 [0,1,0,1,0,0|2,0,0]=4 18717 B13R1.27 CCSCCOC[C@H]1COC(=O)N1 34a_100000212035_100015307671 [0,1,0,1,0,0|2,0,0]=4 18718 B13R1.27 CCSCCOC[C@H]1COC(=O)N1 7a_100000212035_100015307671 [0,1,0,1,0,0|2,0,0]=4 18719 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000181169_100000757381 [0,1,0,1,0,0|2,0,0]=4 18720 B13R1.27 CCSCCSCC1CNC(=O)O1 62a_100000757381_100000181169 [0,1,0,1,0,0|2,0,0]=4 18721 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000073702_100000757381 [0,1,0,1,0,0|2,0,0]=4 18722 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [0,1,0,1,0,0|2,0,0]=4 18723 B13R1.27 CCSCCSC[C@H]1COC(=O)N1 62a_100000757381_100015307671 [0,1,0,1,0,0|2,0,0]=4 18724 B13R1.27 CCSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000757381 [0,1,0,1,0,0|2,0,0]=4 18725 B13R1.27 CNCCCOCC1CNC(=O)O1 34a_100000213112_100000181169 [0,1,0,1,0,0|2,0,0]=4 18726 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [0,1,0,1,0,0|2,0,0]=4 18727 B13R1.27 CNCCCOC[C@H]1COC(=O)N1 34a_100000213112_100015307671 [0,1,0,1,0,0|2,0,0]=4 18728 B13R1.27 COCCCCNC1CNC(=O)C1 2230a_100000697751_100000730899 [0,1,0,1,0,0|2,0,0]=4 18729 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,1,0,1,0,0|2,0,0]=4 18730 B13R1.27 COCCCCOC1CNC(=O)C1 34a_100000690082_100000755781 [0,1,0,1,0,0|2,0,0]=4 18731 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 [0,1,0,1,0,0|2,0,0]=4 18732 B13R1.27 COCCCCSC1COC(=O)O1 62a_100000730899_100000032252 [0,1,0,1,0,0|2,0,0]=4 18733 B13R1.27 COCCCNCC1CNC(=O)C1 2230a_100016993742_100000740836 [0,1,0,1,0,0|2,0,0]=4 18734 B13R1.27 COCCCNCC1CNC(=O)C1 34a_100016993742_100000740836 [0,1,0,1,0,0|2,0,0]=4 18735 B13R1.27 COCCCNCC1CNC(=O)O1 34a_100150723488_100000181169 [0,1,0,1,0,0|2,0,0]=4 18736 B13R1.27 COCCCNCC1COC(=O)O1 34a_100150723488_100000073702 [0,1,0,1,0,0|2,0,0]=4 18737 B13R1.27 COCCCNC[C@H]1COC(=O)N1 34a_100150723488_100015307671 [0,1,0,1,0,0|2,0,0]=4 18738 B13R1.27 COCCCOCC1CNC(=O)C1 34a_100016041077_100000740836 [0,1,0,1,0,0|2,0,0]=4 18739 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100000740835_100000181169 [0,1,0,1,0,0|2,0,0]=4 18740 B13R1.27 COCCCOCC1CNC(=O)O1 34a_100011315639_100000740836 [0,1,0,1,0,0|2,0,0]=4 18741 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [0,1,0,1,0,0|2,0,0]=4 18742 B13R1.27 COCCCOC[C@H]1COC(=O)N1 34a_100000740835_100015307671 [0,1,0,1,0,0|2,0,0]=4 18743 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000181169_100000709357 [0,1,0,1,0,0|2,0,0]=4 18744 B13R1.27 COCCCSCC1CNC(=O)O1 62a_100000709357_100000181169 [0,1,0,1,0,0|2,0,0]=4 18745 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [0,1,0,1,0,0|2,0,0]=4 18746 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [0,1,0,1,0,0|2,0,0]=4 18747 B13R1.27 COCCCSC[C@H]1COC(=O)N1 62a_100000709357_100015307671 [0,1,0,1,0,0|2,0,0]=4 18748 B13R1.27 COCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000709357 [0,1,0,1,0,0|2,0,0]=4 18749 B13R1.27 CSCCCCOC1COC(=O)O1 34a_100011217163_100000032252 [0,1,0,1,0,0|2,0,0]=4 18750 B13R1.27 CSCCCNCC1CNC(=O)O1 2230a_100000749238_100000181169 [0,1,0,1,0,0|2,0,0]=4 18751 B13R1.27 CSCCCNC[C@H]1COC(=O)N1 2230a_100000749238_100015307671 [0,1,0,1,0,0|2,0,0]=4 18752 B13R1.27 CSCCCOCC1CNC(=O)O1 34a_100000690336_100000181169 [0,1,0,1,0,0|2,0,0]=4 18753 B13R1.27 CSCCCOCC1CNC(=O)O1 7a_100000690336_100000181169 [0,1,0,1,0,0|2,0,0]=4 18754 B13R1.27 CSCCCOCC1COC(=O)O1 34a_100000690336_100000073702 [0,1,0,1,0,0|2,0,0]=4 18755 B13R1.27 CSCCCOC[C@H]1COC(=O)N1 34a_100000690336_100015307671 [0,1,0,1,0,0|2,0,0]=4 18756 B13R1.27 CSCCCOC[C@H]1COC(=O)N1 7a_100000690336_100015307671 [0,1,0,1,0,0|2,0,0]=4 18757 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [0,1,0,1,0,0|2,0,0]=4 18758 B13R1.27 NCCCCOCC1CNC(=O)O1 34a_100000750430_100000181169 [0,1,0,1,0,0|2,0,0]=4 18759 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [0,1,0,1,0,0|2,0,0]=4 18760 B13R1.27 NCCCCOC[C@H]1COC(=O)N1 34a_100000750430_100015307671 [0,1,0,1,0,0|2,0,0]=4 18761 B13R1.27 O=C1CC(CN1)CNCCCCF 2230a_100016993742_100000729493 [0,1,0,1,0,0|2,0,0]=4 18762 B13R1.27 O=C1CC(CN1)CNCCCCF 34a_100016993742_100000729493 [0,1,0,1,0,0|2,0,0]=4 18763 B13R1.27 O=C1CC(CN1)CNCCCCO 2230a_100016993742_100000210776 [0,1,0,1,0,0|2,0,0]=4 18764 B13R1.27 O=C1CC(CN1)CNCCCCO 34a_100016993742_100011216708 [0,1,0,1,0,0|2,0,0]=4 18765 B13R1.27 O=C1CC(CN1)COCCCCF 34a_100016041077_100000729493 [0,1,0,1,0,0|2,0,0]=4 18766 B13R1.27 O=C1CC(CN1)COCCCCO 34a_100016041077_100011216708 [0,1,0,1,0,0|2,0,0]=4 18767 B13R1.27 O=C1CC(CN1)NCCCCCF 2230a_100000697751_100000729378 [0,1,0,1,0,0|2,0,0]=4 18768 B13R1.27 O=C1CC(CN1)NCCCCCO 2230a_100000697751_100000746330 [0,1,0,1,0,0|2,0,0]=4 18769 B13R1.27 O=C1CC(CN1)OCCCCCF 34a_100000690082_100000729378 [0,1,0,1,0,0|2,0,0]=4 18770 B13R1.27 O=C1CC(CN1)OCCCCCO 34a_100000690082_100000746330 [0,1,0,1,0,0|2,0,0]=4 18771 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,1,0,1,0,0|2,0,0]=4 18772 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|2,0,0]=4 18773 B13R1.27 O=C1CN(CN1)CCCCCCF 2230a_200000708111_100015922095 [0,1,0,1,0,0|2,0,0]=4 18774 B13R1.27 O=C1CN(CN1)CCCCCCO 2230a_200000708111_100000766143 [0,1,0,1,0,0|2,0,0]=4 18775 B13R1.27 O=C1NCC(O1)CNCCCCO 2230a_100000750430_100000181169 [0,1,0,1,0,0|2,0,0]=4 18776 B13R1.27 O=C1NCC(O1)CNCCCCO 34a_100000750430_100000181169 [0,1,0,1,0,0|2,0,0]=4 18777 B13R1.27 O=C1NCC(O1)COCCCCBr 34a_100011216708_100000181169 [0,1,0,1,0,0|2,0,0]=4 18778 B13R1.27 O=C1NCC(O1)COCCCCCl 34a_100000210776_100000181169 [0,1,0,1,0,0|2,0,0]=4 18779 B13R1.27 O=C1NCC(O1)COCCCCCl 7a_100000210776_100000181169 [0,1,0,1,0,0|2,0,0]=4 18780 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011315639_100000729493 [0,1,0,1,0,0|2,0,0]=4 18781 B13R1.27 O=C1NCC(O1)COCCCCF 34a_100011995726_100000181169 [0,1,0,1,0,0|2,0,0]=4 18782 B13R1.27 O=C1NCC(O1)COCCCCF 7a_100011995726_100000181169 [0,1,0,1,0,0|2,0,0]=4 18783 B13R1.27 O=C1NCC(O1)COCCCCI 34a_200012148704_100000181169 [0,1,0,1,0,0|2,0,0]=4 18784 B13R1.27 O=C1NCC(O1)COCCCCO 34a_100011315639_100011216708 [0,1,0,1,0,0|2,0,0]=4 18785 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000181169_100000729493 [0,1,0,1,0,0|2,0,0]=4 18786 B13R1.27 O=C1NCC(O1)CSCCCCF 62a_100000729493_100000181169 [0,1,0,1,0,0|2,0,0]=4 18787 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000181169_100000210776 [0,1,0,1,0,0|2,0,0]=4 18788 B13R1.27 O=C1NCC(O1)CSCCCCO 62a_100000210776_100000181169 [0,1,0,1,0,0|2,0,0]=4 18789 B13R1.27 O=C1N[C@H](CO1)CNCCCCO 2230a_100000750430_100015307671 [0,1,0,1,0,0|2,0,0]=4 18790 B13R1.27 O=C1N[C@H](CO1)CNCCCCO 34a_100000750430_100015307671 [0,1,0,1,0,0|2,0,0]=4 18791 B13R1.27 O=C1N[C@H](CO1)COCCCCBr 34a_100011216708_100015307671 [0,1,0,1,0,0|2,0,0]=4 18792 B13R1.27 O=C1N[C@H](CO1)COCCCCCl 34a_100000210776_100015307671 [0,1,0,1,0,0|2,0,0]=4 18793 B13R1.27 O=C1N[C@H](CO1)COCCCCCl 7a_100000210776_100015307671 [0,1,0,1,0,0|2,0,0]=4 18794 B13R1.27 O=C1N[C@H](CO1)COCCCCF 34a_100011995726_100015307671 [0,1,0,1,0,0|2,0,0]=4 18795 B13R1.27 O=C1N[C@H](CO1)COCCCCF 7a_100011995726_100015307671 [0,1,0,1,0,0|2,0,0]=4 18796 B13R1.27 O=C1N[C@H](CO1)COCCCCI 34a_200012148704_100015307671 [0,1,0,1,0,0|2,0,0]=4 18797 B13R1.27 O=C1N[C@H](CO1)CSCCCCF 62a_100000729493_100015307671 [0,1,0,1,0,0|2,0,0]=4 18798 B13R1.27 O=C1N[C@H](CO1)CSCCCCF 62a_100015307671_100000729493 [0,1,0,1,0,0|2,0,0]=4 18799 B13R1.27 O=C1N[C@H](CO1)CSCCCCO 62a_100000210776_100015307671 [0,1,0,1,0,0|2,0,0]=4 18800 B13R1.27 O=C1N[C@H](CO1)CSCCCCO 62a_100015307671_100000210776 [0,1,0,1,0,0|2,0,0]=4 18801 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [0,1,0,1,0,0|2,0,0]=4 18802 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [0,1,0,1,0,0|2,0,0]=4 18803 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [0,1,0,1,0,0|2,0,0]=4 18804 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [0,1,0,1,0,0|2,0,0]=4 18805 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [0,1,0,1,0,0|2,0,0]=4 18806 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [0,1,0,1,0,0|2,0,0]=4 18807 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [0,1,0,1,0,0|2,0,0]=4 18808 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [0,1,0,1,0,0|2,0,0]=4 18809 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [0,1,0,1,0,0|2,0,0]=4 18810 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [0,1,0,1,0,0|2,0,0]=4 18811 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [0,1,0,1,0,0|2,0,0]=4 18812 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [0,1,0,1,0,0|2,0,0]=4 18813 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [0,1,0,1,0,0|2,0,0]=4 18814 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [0,1,0,1,0,0|2,0,0]=4 18815 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [0,1,0,1,0,0|2,0,0]=4 18816 B13R1.201 CC(=O)OC(C)N1CCCCC1C 269982a_100000211376_100009818208 [0,1,0,1,0,0|1,0,0]=3 18817 B13R1.201 CC(=O)OC(C)N1CCOC[C@@H]1C 269982a_100009815349_100009818208 [0,1,0,1,0,0|2,0,0]=4 18818 B13R1.282 CC(=O)OC(C)S[C@@H]1CCC[C@H]1O 62a_100009818208_200016002552 [0,1,0,1,0,0|2,0,0]=4 18819 B13R1.282 CC(=O)OC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100009818208 [0,1,0,1,0,0|2,0,0]=4 18820 B13R1.348 CC(=O)NC(C)CN1CCCCC1 11a_100000738326_100015343762 [0,1,0,1,0,0|2,0,0]=4 18821 B13R1.348 CC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100015343762 [0,1,0,1,0,0|2,0,0]=4 18822 B13R1.348 CC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100015343762 [0,1,0,1,0,0|2,0,0]=4 18823 B13R1.348 CC(=O)NC(C)CN1CCCCC1 527a_100000738326_100103153847 [0,1,0,1,0,0|2,0,0]=4 18824 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100000210327_100009818208 [0,1,0,1,0,0|1,0,0]=3 18825 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100009818208_100000210327 [0,1,0,1,0,0|1,0,0]=3 18826 B13R1.348 CC(=O)OC(C)SC1CCCOC1 62a_100009818208_100000693364 [0,1,0,1,0,0|2,0,0]=4 18827 B13R1.348 CC(=O)OC(C)SC1CCOCC1 62a_100009818208_100011324220 [0,1,0,1,0,0|2,0,0]=4 18828 B13R1.348 CC(=O)OC(C)SC1CCSCC1 62a_100009818208_100000069128 [0,1,0,1,0,0|2,0,0]=4 18829 B13R1.373 CCCN1CCCC(C1)NC(=O)C 11a_100011435248_100015343762 [0,1,0,1,0,0|2,0,0]=4 18830 B13R1.373 CCCN1CCCC(C1)NC(=O)C 1626a_100011435248_100015343762 [0,1,0,1,0,0|2,0,0]=4 18831 B13R1.373 CCCN1CCCC(C1)NC(=O)C 2230a_106657272119_100000210303 [0,1,0,1,0,0|2,0,0]=4 18832 B13R1.373 CCCN1CCCC(C1)NC(=O)C 240690a_100011435248_100015343762 [0,1,0,1,0,0|2,0,0]=4 18833 B13R1.373 CCCN1CCCC(C1)NC(=O)C 269982a_106657272119_100000210303 [0,1,0,1,0,0|2,0,0]=4 18834 B13R1.373 CCCN1CCCC(C1)NC(=O)C 527a_100011435248_100103153847 [0,1,0,1,0,0|2,0,0]=4 18835 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210211 [0,1,0,1,0,0|2,0,0]=4 18836 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210211 [0,1,0,1,0,0|2,0,0]=4 18837 B13R1.593 CC(=O)OC(C)SCC1CCCC1 62a_100000740388_100009818208 [0,1,0,1,0,0|1,0,0]=3 18838 B13R1.593 CC(=O)OC(C)SCC1CCCC1 62a_100009818208_100000740388 [0,1,0,1,0,0|1,0,0]=3 18839 B13R1.593 CC(=O)OC(C)SCC1CCCO1 62a_100000203698_100009818208 [0,1,0,1,0,0|2,0,0]=4 18840 B13R1.593 CC(=O)OC(C)SCC1CCCO1 62a_100009818208_100000203698 [0,1,0,1,0,0|2,0,0]=4 18841 B13R1.593 CC(=O)OC(C)SCC1CCOC1 62a_100000702531_100009818208 [0,1,0,1,0,0|2,0,0]=4 18842 B13R1.593 CC(=O)OC(C)SCC1CCOC1 62a_100009818208_100000702531 [0,1,0,1,0,0|2,0,0]=4 18843 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 18844 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 18845 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 18846 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,1,0,1,0,0|2,0,0]=4 18847 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,1,0,1,0,0|2,0,0]=4 18848 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,1,0,1,0,0|2,0,0]=4 18849 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,1,0,1,0,0|2,0,0]=4 18850 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,1,0,1,0,0|2,0,0]=4 18851 B13R1.1154 CC(=O)OC1CN(C1)CCCCF 269982a_100016994906_100000729493 [0,1,0,1,0,0|2,0,0]=4 18852 B13R1.1154 CC(=O)OC1CN(C1)CCCCO 269982a_100016994906_100000210776 [0,1,0,1,0,0|2,0,0]=4 18853 B13R1.1154 CCCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210215 [0,1,0,1,0,0|1,0,0]=3 18854 B13R1.1154 CCOCCN1CC(C1)OC(=O)C 269982a_100016994906_100011215890 [0,1,0,1,0,0|2,0,0]=4 18855 B13R1.1154 CCSCCN1CC(C1)OC(=O)C 269982a_100016994906_100000757381 [0,1,0,1,0,0|2,0,0]=4 18856 B13R1.1154 COCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000740836 [0,1,0,1,0,0|2,0,0]=4 18857 B13R1.2028 CC(=O)OC(C)SCCCC1CO1 62a_100000733510_100009818208 [0,1,0,1,0,0|2,0,0]=4 18858 B13R1.2028 CC(=O)OC(C)SCCCC1CO1 62a_100009818208_100000733510 [0,1,0,1,0,0|2,0,0]=4 18859 B13R1.2800 CC(=O)OC(C)N1CCC[C@@H]1CO 269982a_100000745186_100009818208 [0,1,0,1,0,0|2,0,0]=4 18860 B13R1.2800 CCC1CCCN1C(C)OC(=O)C 269982a_100000754278_100009818208 [0,1,0,1,0,0|1,0,0]=3 18861 B13R1.2884 COCC1CCN1C(C)OC(=O)C 269982a_100015195929_100009818208 [0,1,0,1,0,0|2,0,0]=4 18862 B13R1.3574 CCCCCCCC(C)OC1CC1 34a_200011215852_100000211595 [0,1,0,1,0,0|1,0,1]=4 18863 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,1,0,1,0,0|2,0,0]=4 18864 B13R1.7456 CC(=O)OC(C)N1CCCCCC1 269982a_100000185865_100009818208 [0,1,0,1,0,0|1,0,0]=3 18865 B13R1.7456 CC(=O)OC(C)N1CCCOCC1 269982a_100000685342_100009818208 [0,1,0,1,0,0|2,0,0]=4 18866 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,1,0,1,0,0|2,0,0]=4 18867 B13R1.18 CCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210211 [0,1,0,1,0,0|1,0,1]=4 18868 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210183 [0,1,0,1,0,0|1,0,1]=4 18869 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210183 [0,1,0,1,0,0|1,0,1]=4 18870 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210183 [0,1,0,1,0,0|1,0,1]=4 18871 B13R1.18 CCCCC(C)N1CCNC(=O)C1 2230a_100000184651_200011215066 [0,1,0,1,0,0|2,0,0]=4 18872 B13R1.18 CCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210087 [0,1,0,1,0,0|2,0,0]=4 18873 B13R1.18 CCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011215066 [0,1,0,1,0,0|1,0,0]=3 18874 B13R1.18 CCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210087 [0,1,0,1,0,0|1,0,0]=3 18875 B13R1.18 CCSCC(C)N1CCOC(=O)C1 270004a_100000131268_200011216171 [0,1,0,1,0,0|2,0,0]=4 18876 B13R1.18 COCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000742357 [0,1,0,1,0,0|2,0,0]=4 18877 B13R1.18 CSCCC(C)N1CCOC(=O)C1 270004a_100000131268_100011217047 [0,1,0,1,0,0|2,0,0]=4 18878 B13R1.43 CCCCC(=O)CC1COC(=O)O1 1458a_100000210183_100000073702 [0,1,0,1,0,0|1,0,1]=4 18879 B13R1.43 CCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000210183_100015307671 [0,1,0,1,0,0|1,0,1]=4 18880 B13R1.43 CCCCC(C)NC1CNC(=O)C1 2230a_100000697751_200011215066 [0,1,0,1,0,0|2,0,0]=4 18881 B13R1.43 CCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011215066 [0,1,0,1,0,0|2,0,0]=4 18882 B13R1.43 CCCCC(C)OC1CNC(=O)C1 34a_100000690082_200011215066 [0,1,0,1,0,0|2,0,0]=4 18883 B13R1.43 CCCCC(C)OC1COC(=O)O1 34a_100000687866_100000032252 [0,1,0,1,0,0|2,0,0]=4 18884 B13R1.43 CCCCC(C)SC1COC(=O)O1 62a_200011215066_100000032252 [0,1,0,1,0,0|2,0,0]=4 18885 B13R1.43 CCCCN(C)CC1COC(=O)O1 269982a_100000207549_100000073702 [0,1,0,1,0,0|2,0,0]=4 18886 B13R1.43 CCCCN(C)C[C@H]1COC(=O)N1 2230a_100000207549_100015307671 [0,1,0,1,0,0|2,0,0]=4 18887 B13R1.43 CCCCN(C)C[C@H]1COC(=O)N1 269982a_100000207549_100015307671 [0,1,0,1,0,0|2,0,0]=4 18888 B13R1.128 CC(=O)CCCCN1CCC(C1)O 269982a_100011215560_100000735457 [0,1,0,1,0,0|2,0,0]=4 18889 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000735457 [0,1,0,1,0,0|2,0,0]=4 18890 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F 34a_100015203821_100009817362 [0,1,0,1,0,0|2,0,0]=4 18891 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)C 269982a_100016987628_100000735457 [0,1,0,1,0,0|2,0,0]=4 18892 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)C 34a_100016987628_100009817362 [0,1,0,1,0,0|2,0,0]=4 18893 B13R1.128 CC(=O)CCCOC1CCC(C1)C 34a_100000698185_100000685027 [0,1,0,1,0,0|2,0,0]=4 18894 B13R1.128 CC(=O)NCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000189650 [0,1,0,1,0,0|2,0,0]=4 18895 B13R1.128 CC(=O)OCCCN1CCC(C1)O 269982a_100011215560_100000042594 [0,1,0,1,0,0|1,0,0]=3 18896 B13R1.128 CC(=O)OCCCN1CC[C@@H](C1)F 269982a_100015203821_100000042594 [0,1,0,1,0,0|1,0,0]=3 18897 B13R1.128 CC(=O)OCCCN1CC[C@@H](C1)F 34a_100015203821_100000042594 [0,1,0,1,0,0|1,0,0]=3 18898 B13R1.128 CC(=O)OCCCN1CC[C@H](C1)C 269982a_100016987628_100000042594 [0,1,0,1,0,0|1,0,0]=3 18899 B13R1.128 CC(=O)OCCCN1CC[C@H](C1)C 34a_100016987628_100000042594 [0,1,0,1,0,0|1,0,0]=3 18900 B13R1.128 CC(=O)OCCOC1CCC(=O)C1 34a_100012614533_100009814007 [0,1,0,1,0,0|1,0,1]=4 18901 B13R1.128 CC(=O)OCCOC1CCC(C1)C 34a_100000698185_100009814007 [0,1,0,1,0,0|1,0,0]=3 18902 B13R1.128 CC(=O)OCCSC1CCN(C1)C 62a_100009814007_200012183744 [0,1,0,1,0,0|2,0,0]=4 18903 B13R1.128 CC(=O)OCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100009813279 [0,1,0,1,0,0|2,0,0]=4 18904 B13R1.128 CC(=O)OCSCC1CCN(C1)C 62a_100000076356_200000690779 [0,1,0,1,0,0|2,0,0]=4 18905 B13R1.128 CC(=O)OCSCC1CCN(C1)C 62a_200000690779_100000076356 [0,1,0,1,0,0|2,0,0]=4 18906 B13R1.128 CC(=O)SCCCN1CCC(C1)O 2230a_100011215560_100000038929 [0,1,0,1,0,0|1,1,0]=4 18907 B13R1.128 CC(=O)SCCCN1CCC(C1)O 269982a_100011215560_100000038929 [0,1,0,1,0,0|1,1,0]=4 18908 B13R1.128 CC(=O)SCCCN1CC[C@@H](C1)F 2230a_100015203821_100000038929 [0,1,0,1,0,0|1,1,0]=4 18909 B13R1.128 CC(=O)SCCCN1CC[C@@H](C1)F 269982a_100015203821_100000038929 [0,1,0,1,0,0|1,1,0]=4 18910 B13R1.128 CC(=O)SCCCN1CC[C@@H](C1)F 34a_100015203821_100000038929 [0,1,0,1,0,0|1,1,0]=4 18911 B13R1.128 CC(=O)SCCCN1CC[C@H](C1)C 2230a_100016987628_100000038929 [0,1,0,1,0,0|1,1,0]=4 18912 B13R1.128 CC(=O)SCCCN1CC[C@H](C1)C 269982a_100016987628_100000038929 [0,1,0,1,0,0|1,1,0]=4 18913 B13R1.128 CC(=O)SCCCN1CC[C@H](C1)C 34a_100016987628_100000038929 [0,1,0,1,0,0|1,1,0]=4 18914 B13R1.128 CC(=S)OCCCN1CCC(C1)O 2230a_100011215560_200135323944 [0,1,0,1,0,0|1,1,0]=4 18915 B13R1.128 CC(=S)OCCCN1CCC(C1)O 269982a_100011215560_200135323944 [0,1,0,1,0,0|1,1,0]=4 18916 B13R1.128 CC(=S)OCCCN1CC[C@@H](C1)F 2230a_100015203821_200135323944 [0,1,0,1,0,0|1,1,0]=4 18917 B13R1.128 CC(=S)OCCCN1CC[C@@H](C1)F 269982a_100015203821_200135323944 [0,1,0,1,0,0|1,1,0]=4 18918 B13R1.128 CC(=S)OCCCN1CC[C@@H](C1)F 34a_100015203821_200135323944 [0,1,0,1,0,0|1,1,0]=4 18919 B13R1.128 CC(=S)OCCCN1CC[C@H](C1)C 2230a_100016987628_200135323944 [0,1,0,1,0,0|1,1,0]=4 18920 B13R1.128 CC(=S)OCCCN1CC[C@H](C1)C 269982a_100016987628_200135323944 [0,1,0,1,0,0|1,1,0]=4 18921 B13R1.128 CC(=S)OCCCN1CC[C@H](C1)C 34a_100016987628_200135323944 [0,1,0,1,0,0|1,1,0]=4 18922 B13R1.128 CC(Br)CCOCC1COC(=O)O1 34a_100009893172_100000073702 [0,1,0,1,0,0|2,0,0]=4 18923 B13R1.128 CC(Br)CCOC[C@H]1COC(=O)N1 34a_100009893172_100015307671 [0,1,0,1,0,0|2,0,0]=4 18924 B13R1.128 CC(C)CCCCN1CNC(=O)C1 2230a_200000708111_100011216152 [0,1,0,1,0,0|2,0,0]=4 18925 B13R1.128 CC(C)CCCNC1CNC(=O)C1 2230a_100000697751_100011214892 [0,1,0,1,0,0|2,0,0]=4 18926 B13R1.128 CC(C)CCCNC1COC(=O)O1 34a_200000737386_100000032252 [0,1,0,1,0,0|2,0,0]=4 18927 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [0,1,0,1,0,0|2,0,0]=4 18928 B13R1.128 CC(C)CCCOC1CNC(=O)C1 34a_100000690082_100011214892 [0,1,0,1,0,0|2,0,0]=4 18929 B13R1.128 CC(C)CCCOC1COC(=O)O1 34a_100000210774_100000032252 [0,1,0,1,0,0|2,0,0]=4 18930 B13R1.128 CC(C)CCCSC1COC(=O)O1 62a_100011214892_100000032252 [0,1,0,1,0,0|2,0,0]=4 18931 B13R1.128 CC(C)CCNCC1CNC(=O)C1 2230a_100016993742_100000210312 [0,1,0,1,0,0|2,0,0]=4 18932 B13R1.128 CC(C)CCNCC1CNC(=O)C1 269862a_100016993742_100000185833 [0,1,0,1,0,0|2,0,0]=4 18933 B13R1.128 CC(C)CCNCC1CNC(=O)C1 34a_100016993742_100000210312 [0,1,0,1,0,0|2,0,0]=4 18934 B13R1.128 CC(C)CCOCC1CNC(=O)C1 34a_100016041077_100000210312 [0,1,0,1,0,0|2,0,0]=4 18935 B13R1.128 CC(C)CCOCC1COC(=O)O1 34a_100000210254_100000073702 [0,1,0,1,0,0|2,0,0]=4 18936 B13R1.128 CC(C)CCOC[C@H]1COC(=O)N1 34a_100000210254_100015307671 [0,1,0,1,0,0|2,0,0]=4 18937 B13R1.128 CC(C)CCOC[C@H]1COC(=O)N1 7a_100000210254_100015307671 [0,1,0,1,0,0|2,0,0]=4 18938 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000073702_100000210312 [0,1,0,1,0,0|2,0,0]=4 18939 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000210312_100000073702 [0,1,0,1,0,0|2,0,0]=4 18940 B13R1.128 CC(C)CCSC[C@H]1COC(=O)N1 62a_100000210312_100015307671 [0,1,0,1,0,0|2,0,0]=4 18941 B13R1.128 CC(C)CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210312 [0,1,0,1,0,0|2,0,0]=4 18942 B13R1.128 CC(O)CCCNC1CNC(=O)C1 2230a_100000697751_200000718107 [0,1,0,1,0,0|2,0,0]=4 18943 B13R1.128 CC(O)CCCOC1CCC(=O)C1 34a_100012614533_200000718107 [0,1,0,1,0,0|2,0,0]=4 18944 B13R1.128 CC(O)CCCOC1CNC(=O)C1 34a_100000690082_200000718107 [0,1,0,1,0,0|2,0,0]=4 18945 B13R1.128 CC(O)CCCSC1COC(=O)O1 62a_200000718107_100000032252 [0,1,0,1,0,0|2,0,0]=4 18946 B13R1.128 CC(O)CCNCC1CNC(=O)C1 2230a_100016993742_100012276601 [0,1,0,1,0,0|2,0,0]=4 18947 B13R1.128 CC(O)CCNCC1CNC(=O)C1 34a_100016993742_100012276601 [0,1,0,1,0,0|2,0,0]=4 18948 B13R1.128 CC(O)CCNC[C@H]1COC(=O)N1 2230a_200000755665_100015307671 [0,1,0,1,0,0|2,0,0]=4 18949 B13R1.128 CC(O)CCOCC1CNC(=O)C1 34a_100016041077_100012276601 [0,1,0,1,0,0|2,0,0]=4 18950 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100000073702_100012276601 [0,1,0,1,0,0|2,0,0]=4 18951 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100012276601_100000073702 [0,1,0,1,0,0|2,0,0]=4 18952 B13R1.128 CC(O)CCSC[C@H]1COC(=O)N1 62a_100012276601_100015307671 [0,1,0,1,0,0|2,0,0]=4 18953 B13R1.128 CC(O)CCSC[C@H]1COC(=O)N1 62a_100015307671_100012276601 [0,1,0,1,0,0|2,0,0]=4 18954 B13R1.128 CC1CCC(C1)OCCOC(=O)N 34a_100000698185_200011214921 [0,1,0,1,0,0|2,0,0]=4 18955 B13R1.128 C[C@@H](N)CCOCC1COC(=O)O1 34a_100000706166_100000073702 [0,1,0,1,0,0|2,0,0]=4 18956 B13R1.128 C[C@@H](N)CCOC[C@H]1COC(=O)N1 34a_100000706166_100015307671 [0,1,0,1,0,0|2,0,0]=4 18957 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 18958 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 18959 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 18960 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 18961 B13R1.158 C=C(C)COCC1CCCCN1C 34a_100000210245_100015186950 [0,1,0,1,0,0|2,0,0]=4 18962 B13R1.158 C=C(C)COCC1CCCCN1C 34a_100000225079_100000748629 [0,1,0,1,0,0|2,0,0]=4 18963 B13R1.158 CC(=CCCN1CCCCC1C)C 2230a_100000211376_100011217483 [0,1,0,1,0,0|2,0,0]=4 18964 B13R1.158 CC(=CCCN1CCCCC1C)C 269982a_100000211376_100011217483 [0,1,0,1,0,0|2,0,0]=4 18965 B13R1.158 CC(=CCCN1CCCCC1C)C 34a_100000211376_100011217483 [0,1,0,1,0,0|2,0,0]=4 18966 B13R1.158 CC(=CCNC1CCCCC1C)C 2230a_100000211402_100000761012 [0,1,0,1,0,0|2,0,0]=4 18967 B13R1.158 CC(=CCNC1CCCCC1C)C 270004a_100000718196_100000210921 [0,1,0,1,0,0|2,0,0]=4 18968 B13R1.158 CC(=CCNC1CCCCC1C)C 34a_100000211402_100000761012 [0,1,0,1,0,0|2,0,0]=4 18969 B13R1.158 CC(=CCOC1CCCCC1C)C 34a_100000211207_100000761012 [0,1,0,1,0,0|2,0,0]=4 18970 B13R1.158 CC(=CCOC1CCCCC1C)C 7a_100000211207_100000761012 [0,1,0,1,0,0|2,0,0]=4 18971 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,1,0,1,0,0|1,0,0]=3 18972 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,1,0,1,0,0|1,0,0]=3 18973 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011215641 [0,1,0,1,0,0|2,0,0]=4 18974 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000685027 [0,1,0,1,0,0|2,0,0]=4 18975 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,1,0,1,0,0|1,0,0]=3 18976 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,1,0,1,0,0|2,0,0]=4 18977 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,1,0,1,0,0|2,0,0]=4 18978 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,1,0,0|2,0,0]=4 18979 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,1,0,1,0,0|2,0,0]=4 18980 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,1,0,1,0,0|2,0,0]=4 18981 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,1,0,1,0,0|2,0,0]=4 18982 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,1,0,0|2,0,0]=4 18983 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,1,0,0|2,0,0]=4 18984 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,1,0,1,0,0|1,0,0]=3 18985 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,1,0,1,0,0|1,0,0]=3 18986 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,1,0,1,0,0|1,0,0]=3 18987 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,1,0,1,0,0|1,0,0]=3 18988 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,1,0,1,0,0|1,0,0]=3 18989 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,1,0,1,0,0|1,0,0]=3 18990 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,1,0,1,0,0|1,0,0]=3 18991 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,1,0,1,0,0|1,0,0]=3 18992 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,1,0,1,0,0|1,0,0]=3 18993 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,1,0,1,0,0|1,0,0]=3 18994 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,1,0,1,0,0|1,0,0]=3 18995 B13R1.158 CC(=O)NCCN1CCOC[C@@H]1C 2230a_100009815349_100000189650 [0,1,0,1,0,0|2,0,0]=4 18996 B13R1.158 CC(=O)NCCN1CCOC[C@@H]1C 269982a_100009815349_100000189650 [0,1,0,1,0,0|2,0,0]=4 18997 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,1,0,1,0,0|0,0,0]=2 18998 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,1,0,1,0,0|0,0,0]=2 18999 B13R1.158 CC(=O)OCCN1CCOC[C@@H]1C 269982a_100009815349_100009814007 [0,1,0,1,0,0|1,0,0]=3 19000 B13R1.158 CC(=O)OCCN1CCOC[C@@H]1C 34a_100009815349_100009814007 [0,1,0,1,0,0|1,0,0]=3 19001 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,1,0,1,0,0|0,0,0]=2 19002 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813279 [0,1,0,1,0,0|1,0,0]=3 19003 B13R1.158 CC(=O)OCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100009813279 [0,1,0,1,0,0|2,0,0]=4 19004 B13R1.158 CC(=O)OCOC1CCCCC1=O 34a_100011214950_100009813279 [0,1,0,1,0,0|1,0,1]=4 19005 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,1,0,1,0,0|0,0,0]=2 19006 B13R1.158 CC(=O)OCOC1CCCCC1Cl 34a_100000038908_100009813279 [0,1,0,1,0,0|1,0,0]=3 19007 B13R1.158 CC(=O)OCOC1CCNCC1C 34a_100011998114_100009813279 [0,1,0,1,0,0|1,0,0]=3 19008 B13R1.158 CC(=O)OCOC1CNCCC1C 34a_100000696640_100009813279 [0,1,0,1,0,0|1,0,0]=3 19009 B13R1.158 CC(=O)OCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009813279 [0,1,0,1,0,0|1,0,0]=3 19010 B13R1.158 CC(=O)OCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100009813279 [0,1,0,1,0,0|2,0,0]=4 19011 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009813279 [0,1,0,1,0,0|1,0,0]=3 19012 B13R1.158 CC(=O)OCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100009813279 [0,1,0,1,0,0|2,0,0]=4 19013 B13R1.158 CC(=O)OCO[C@H]1COCC[C@H]1N 34a_100016994285_100009813279 [0,1,0,1,0,0|2,0,0]=4 19014 B13R1.158 CC(=O)OCSC1CCCCC1=O 62a_100000076356_100000204591 [0,1,0,1,0,0|1,0,1]=4 19015 B13R1.158 CC(=O)OCSC1CCCCC1=O 62a_100000204591_100000076356 [0,1,0,1,0,0|1,0,1]=4 19016 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100000076356_100015423560 [0,1,0,1,0,0|1,0,0]=3 19017 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100015423560_100000076356 [0,1,0,1,0,0|1,0,0]=3 19018 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000038908_100000076356 [0,1,0,1,0,0|1,0,0]=3 19019 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000076356_100000038908 [0,1,0,1,0,0|1,0,0]=3 19020 B13R1.158 CC(C)OCCC1CCCCN1C 34a_100000212225_100000211948 [0,1,0,1,0,0|1,0,1]=4 19021 B13R1.158 CC(C)OCCN1CCCCC1C 2230a_100000211376_100000211751 [0,1,0,1,0,0|1,0,1]=4 19022 B13R1.158 CC(C)OCCN1CCCCC1C 269982a_100000211376_100000211751 [0,1,0,1,0,0|1,0,1]=4 19023 B13R1.158 CC(C)OCCN1CCCCC1C 34a_100000211376_100000211751 [0,1,0,1,0,0|1,0,1]=4 19024 B13R1.158 CC(C)OCCN1CCCCC1C 34a_100011305533_100000210206 [0,1,0,1,0,0|1,0,1]=4 19025 B13R1.158 CC(C)OCNC1CCCCC1C 2230a_100000211402_100000709892 [0,1,0,1,0,0|1,0,1]=4 19026 B13R1.158 CC(C)OCNC1CCCCC1C 34a_100000211402_100000709892 [0,1,0,1,0,0|1,0,1]=4 19027 B13R1.158 CC(C)OCOC1CCCCC1C 34a_100000211207_100000709892 [0,1,0,1,0,0|1,0,1]=4 19028 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,1,0,1,0,0|2,0,0]=4 19029 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,1,0,1,0,0|2,0,0]=4 19030 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,1,0,1,0,0|2,0,0]=4 19031 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,1,0,1,0,0|2,0,0]=4 19032 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,1,0,1,0,0|2,0,0]=4 19033 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,1,0,1,0,0|2,0,0]=4 19034 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,1,0,1,0,0|2,0,0]=4 19035 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 19036 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 19037 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,1,0,1,0,0|1,0,0]=3 19038 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,1,0,1,0,0|1,0,0]=3 19039 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,1,0,1,0,0|2,0,0]=4 19040 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,1,0,1,0,0|2,0,0]=4 19041 B13R1.158 C[C@H]1COCCN1CCOC(=O)N 269982a_100009815349_200011214921 [0,1,0,1,0,0|2,0,0]=4 19042 B13R1.158 C[C@H]1COCCN1CCOC(=O)N 34a_100009815349_200011214921 [0,1,0,1,0,0|2,0,0]=4 19043 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 19044 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 19045 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 19046 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,1,0,1,0,0|2,0,0]=4 19047 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 19048 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,1,0,1,0,0|2,0,0]=4 19049 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,1,0,1,0,0|2,0,0]=4 19050 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 19051 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 19052 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,1,0,1,0,0|1,0,0]=3 19053 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,1,0,1,0,0|1,0,0]=3 19054 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,1,0,1,0,0|1,0,0]=3 19055 B13R1.337 C=C(C)COCCC1CCCCN1 34a_100000211664_100000748629 [0,1,0,1,0,0|2,0,0]=4 19056 B13R1.337 C=C(C)COCCC1CCCNC1 34a_100000752241_100000748629 [0,1,0,1,0,0|2,0,0]=4 19057 B13R1.337 C=C(C)COCCC1CCNCC1 34a_100015190746_100000748629 [0,1,0,1,0,0|2,0,0]=4 19058 B13R1.337 C=C(C)COCCC1CCOCC1 34a_100000210245_100011934994 [0,1,0,1,0,0|2,0,0]=4 19059 B13R1.337 C=C(C)COCCC1CCOCC1 34a_100011933979_100000748629 [0,1,0,1,0,0|2,0,0]=4 19060 B13R1.337 C=C(C)COCCC1CCOCC1 7a_100011933979_100000748629 [0,1,0,1,0,0|2,0,0]=4 19061 B13R1.337 C=C(C)COCCN1CCCCC1 34a_100000210245_100000739454 [0,1,0,1,0,0|2,0,0]=4 19062 B13R1.337 C=C(C)COCOC1CCCCC1 34a_100000210245_100011935260 [0,1,0,1,0,0|2,0,0]=4 19063 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,1,0,1,0,0|1,1,0]=4 19064 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,1,0,1,0,0|1,1,0]=4 19065 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,1,0,1,0,0|1,0,1]=4 19066 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,1,0,1,0,0|1,0,1]=4 19067 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,1,0,1,0,0|1,0,1]=4 19068 B13R1.337 CC(=CCCNC1CCCCC1)C 2230a_100000182618_100011217483 [0,1,0,1,0,0|2,0,0]=4 19069 B13R1.337 CC(=CCCNC1CCCCC1)C 34a_100000182618_100011217483 [0,1,0,1,0,0|2,0,0]=4 19070 B13R1.337 CC(=CCCOC1CCCCC1)C 34a_100000210231_100011217483 [0,1,0,1,0,0|2,0,0]=4 19071 B13R1.337 CC(=CCCOC1CCCCC1)C 7a_100000210231_100011217483 [0,1,0,1,0,0|2,0,0]=4 19072 B13R1.337 CC(=CCCSC1CCCCC1)C 62a_100000210327_100011217483 [0,1,0,1,0,0|2,0,0]=4 19073 B13R1.337 CC(=CCCSC1CCCCC1)C 62a_100011217483_100000210327 [0,1,0,1,0,0|2,0,0]=4 19074 B13R1.337 CC(=CCNCC1CCCCC1)C 2230a_100000210473_100000761012 [0,1,0,1,0,0|2,0,0]=4 19075 B13R1.337 CC(=CCNCC1CCCCC1)C 34a_100000210473_100000761012 [0,1,0,1,0,0|2,0,0]=4 19076 B13R1.337 CC(=CCNCC1CCCCC1)C 34a_100000718196_100000211423 [0,1,0,1,0,0|2,0,0]=4 19077 B13R1.337 CC(=CCOCC1CCCCC1)C 34a_100000212181_100000761012 [0,1,0,1,0,0|2,0,0]=4 19078 B13R1.337 CC(=CCOCC1CCCCC1)C 34a_100000753907_100000211423 [0,1,0,1,0,0|2,0,0]=4 19079 B13R1.337 CC(=CCOCC1CCCCC1)C 7a_100000212181_100000761012 [0,1,0,1,0,0|2,0,0]=4 19080 B13R1.337 CC(=CCSCC1CCCCC1)C 62a_100000211423_100000761012 [0,1,0,1,0,0|2,0,0]=4 19081 B13R1.337 CC(=CCSCC1CCCCC1)C 62a_100000761012_100000211423 [0,1,0,1,0,0|2,0,0]=4 19082 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|1,0,0]=3 19083 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,1,0,1,0,0|1,0,0]=3 19084 B13R1.337 CC(=O)CCCCN1CCCOC1 269982a_100000131196_100000735457 [0,1,0,1,0,0|2,0,0]=4 19085 B13R1.337 CC(=O)CCCCN1CCCOC1 34a_100000131196_100009817362 [0,1,0,1,0,0|2,0,0]=4 19086 B13R1.337 CC(=O)CCCCN1CCOCC1 269982a_100015191051_100000735457 [0,1,0,1,0,0|2,0,0]=4 19087 B13R1.337 CC(=O)CCCCN1CCOCC1 34a_100015191051_100009817362 [0,1,0,1,0,0|2,0,0]=4 19088 B13R1.337 CC(=O)CCCCN1CCSCC1 269982a_100000737611_100000735457 [0,1,0,1,0,0|2,0,0]=4 19089 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,1,0,1,0,0|1,0,0]=3 19090 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [0,1,0,1,0,0|2,0,0]=4 19091 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [0,1,0,1,0,0|2,0,0]=4 19092 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [0,1,0,1,0,0|2,0,0]=4 19093 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,1,0,1,0,0|1,0,0]=3 19094 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,1,0,1,0,0|1,0,0]=3 19095 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,1,0,1,0,0|1,0,0]=3 19096 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,1,0,1,0,0|1,0,0]=3 19097 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,1,0,1,0,0|2,0,0]=4 19098 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,1,0,1,0,0|2,0,0]=4 19099 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [0,1,0,1,0,0|2,0,0]=4 19100 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [0,1,0,1,0,0|2,0,0]=4 19101 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [0,1,0,1,0,0|2,0,0]=4 19102 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [0,1,0,1,0,0|2,0,0]=4 19103 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [0,1,0,1,0,0|2,0,0]=4 19104 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [0,1,0,1,0,0|2,0,0]=4 19105 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [0,1,0,1,0,0|2,0,0]=4 19106 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [0,1,0,1,0,0|2,0,0]=4 19107 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [0,1,0,1,0,0|2,0,0]=4 19108 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [0,1,0,1,0,0|2,0,0]=4 19109 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,1,0,1,0,0|1,0,0]=3 19110 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,1,0,1,0,0|1,0,0]=3 19111 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [0,1,0,1,0,0|2,0,0]=4 19112 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [0,1,0,1,0,0|2,0,0]=4 19113 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [0,1,0,1,0,0|2,0,0]=4 19114 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,1,0,1,0,0|1,0,0]=3 19115 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,1,0,1,0,0|1,0,0]=3 19116 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,1,0,1,0,0|1,0,0]=3 19117 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 19118 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|2,0,0]=4 19119 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 19120 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 19121 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 19122 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [0,1,0,1,0,0|2,0,0]=4 19123 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [0,1,0,1,0,0|2,0,0]=4 19124 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [0,1,0,1,0,0|2,0,0]=4 19125 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,1,0,1,0,0|1,0,0]=3 19126 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,1,0,1,0,0|1,0,0]=3 19127 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,1,0,1,0,0|2,0,0]=4 19128 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,1,0,1,0,0|2,0,0]=4 19129 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [0,1,0,1,0,0|2,0,0]=4 19130 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [0,1,0,1,0,0|2,0,0]=4 19131 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [0,1,0,1,0,0|2,0,0]=4 19132 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [0,1,0,1,0,0|2,0,0]=4 19133 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,1,0,1,0,0|0,0,0]=2 19134 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [0,1,0,1,0,0|1,0,0]=3 19135 B13R1.337 CC(=O)COCCC1OCCCO1 34a_100000211253_100000764188 [0,1,0,1,0,0|2,0,0]=4 19136 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [0,1,0,1,0,0|1,0,0]=3 19137 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [0,1,0,1,0,0|1,0,0]=3 19138 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 19139 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 19140 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 19141 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,1,0,1,0,0|1,0,0]=3 19142 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [0,1,0,1,0,0|1,0,0]=3 19143 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [0,1,0,1,0,0|1,0,0]=3 19144 B13R1.337 CC(=O)NCCCN1CCOCC1 240690a_100000210481_100015343762 [0,1,0,1,0,0|2,0,0]=4 19145 B13R1.337 CC(=O)NCCCN1CCOCC1 527a_100000210481_100103153847 [0,1,0,1,0,0|2,0,0]=4 19146 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [0,1,0,1,0,0|1,0,0]=3 19147 B13R1.337 CC(=O)NCCNC1CCCOC1 2230a_100000719290_100000189650 [0,1,0,1,0,0|2,0,0]=4 19148 B13R1.337 CC(=O)NCCNC1CCOCC1 2230a_100000741149_100000189650 [0,1,0,1,0,0|2,0,0]=4 19149 B13R1.337 CC(=O)NCCNC1CCSCC1 2230a_100000748639_100000189650 [0,1,0,1,0,0|2,0,0]=4 19150 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [0,1,0,1,0,0|1,0,0]=3 19151 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [0,1,0,1,0,0|1,0,0]=3 19152 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [0,1,0,1,0,0|1,0,0]=3 19153 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [0,1,0,1,0,0|1,0,0]=3 19154 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [0,1,0,1,0,0|1,0,0]=3 19155 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [0,1,0,1,0,0|1,0,0]=3 19156 B13R1.337 CC(=O)NCCOC1CCCOC1 34a_100000158858_100000693364 [0,1,0,1,0,0|2,0,0]=4 19157 B13R1.337 CC(=O)NCCOC1CCCSC1 7a_100015962668_100000189650 [0,1,0,1,0,0|2,0,0]=4 19158 B13R1.337 CC(=O)NCCOC1CCSCC1 34a_100000158858_100000069128 [0,1,0,1,0,0|2,0,0]=4 19159 B13R1.337 CC(=O)NCCOC1CCSCC1 7a_100000731022_100000189650 [0,1,0,1,0,0|2,0,0]=4 19160 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [0,1,0,1,0,0|1,0,0]=3 19161 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [0,1,0,1,0,0|1,0,0]=3 19162 B13R1.337 CC(=O)NCCSC1CCCOC1 62a_100000189650_100000693364 [0,1,0,1,0,0|2,0,0]=4 19163 B13R1.337 CC(=O)NCCSC1CCOCC1 62a_100000189650_100011324220 [0,1,0,1,0,0|2,0,0]=4 19164 B13R1.337 CC(=O)NCCSC1CCSCC1 62a_100000189650_100000069128 [0,1,0,1,0,0|2,0,0]=4 19165 B13R1.337 CC(=O)NN=CCC1CCCCC1 4a_100000189765_100011713444 [0,1,0,1,0,0|1,0,1]=4 19166 B13R1.337 CC(=O)NNCCN1CCCCC1 22a_100000739400_100000070787 [0,1,0,1,0,0|2,0,0]=4 19167 B13R1.337 CC(=O)OCCCN1CC=CCC1 269982a_100000698166_100000042594 [0,1,0,1,0,0|0,0,2]=4 19168 B13R1.337 CC(=O)OCCCN1CC=CCC1 34a_100000698166_100000042594 [0,1,0,1,0,0|0,0,2]=4 19169 B13R1.337 CC(=O)OCCCN1CCCOC1 269982a_100000131196_100000042594 [0,1,0,1,0,0|1,0,0]=3 19170 B13R1.337 CC(=O)OCCCN1CCCOC1 34a_100000131196_100000042594 [0,1,0,1,0,0|1,0,0]=3 19171 B13R1.337 CC(=O)OCCCN1CCOCC1 269982a_100015191051_100000042594 [0,1,0,1,0,0|1,0,0]=3 19172 B13R1.337 CC(=O)OCCCN1CCOCC1 34a_100015191051_100000042594 [0,1,0,1,0,0|1,0,0]=3 19173 B13R1.337 CC(=O)OCCCN1CCSCC1 269982a_100000737611_100000042594 [0,1,0,1,0,0|1,0,0]=3 19174 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [0,1,0,1,0,0|0,0,0]=2 19175 B13R1.337 CC(=O)OCCNC1CCCOC1 34a_100000719290_100009814007 [0,1,0,1,0,0|1,0,0]=3 19176 B13R1.337 CC(=O)OCCNC1CCOCC1 34a_100000741149_100009814007 [0,1,0,1,0,0|1,0,0]=3 19177 B13R1.337 CC(=O)OCCNC1CCSCC1 34a_100000748639_100009814007 [0,1,0,1,0,0|1,0,0]=3 19178 B13R1.337 CC(=O)OCCOC1C=CCCC1 34a_100011215024_100009814007 [0,1,0,1,0,0|0,0,2]=4 19179 B13R1.337 CC(=O)OCCOC1CC=CCC1 34a_100000073881_100009814007 [0,1,0,1,0,0|0,0,2]=4 19180 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [0,1,0,1,0,0|0,0,0]=2 19181 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [0,1,0,1,0,0|0,0,0]=2 19182 B13R1.337 CC(=O)OCCOC1CCCCO1 34a_100000033831_100009814007 [0,1,0,1,0,0|1,0,0]=3 19183 B13R1.337 CC(=O)OCCOC1CCCOC1 34a_100000754041_100009814007 [0,1,0,1,0,0|1,0,0]=3 19184 B13R1.337 CC(=O)OCCOC1CCCSC1 7a_100015962668_100009814007 [0,1,0,1,0,0|1,0,0]=3 19185 B13R1.337 CC(=O)OCCOC1CCOCC1 34a_100000744328_100009814007 [0,1,0,1,0,0|1,0,0]=3 19186 B13R1.337 CC(=O)OCCOC1CCSCC1 34a_100000731022_100009814007 [0,1,0,1,0,0|1,0,0]=3 19187 B13R1.337 CC(=O)OCCOC1CCSCC1 7a_100000731022_100009814007 [0,1,0,1,0,0|1,0,0]=3 19188 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100000751183_100009814007 [0,1,0,1,0,0|0,0,2]=4 19189 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100009814007_100000751183 [0,1,0,1,0,0|0,0,2]=4 19190 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [0,1,0,1,0,0|0,0,0]=2 19191 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [0,1,0,1,0,0|0,0,0]=2 19192 B13R1.337 CC(=O)OCCSC1CCCOC1 62a_100009814007_100000693364 [0,1,0,1,0,0|1,0,0]=3 19193 B13R1.337 CC(=O)OCCSC1CCOCC1 62a_100009814007_100011324220 [0,1,0,1,0,0|1,0,0]=3 19194 B13R1.337 CC(=O)OCCSC1CCSCC1 62a_100009814007_100000069128 [0,1,0,1,0,0|1,0,0]=3 19195 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [0,1,0,1,0,0|0,0,0]=2 19196 B13R1.337 CC(=O)OCNCC1CCCCO1 34a_100000174945_100009813279 [0,1,0,1,0,0|1,0,0]=3 19197 B13R1.337 CC(=O)OCNCC1CCCOC1 34a_100000720124_100009813279 [0,1,0,1,0,0|1,0,0]=3 19198 B13R1.337 CC(=O)OCNCC1CCOCC1 34a_100000746373_100009813279 [0,1,0,1,0,0|1,0,0]=3 19199 B13R1.337 CC(=O)OCNCC1CCSCC1 34a_100015188806_100009813279 [0,1,0,1,0,0|1,0,0]=3 19200 B13R1.337 CC(=O)OCNC[C@H]1COCCO1 34a_100010981119_100009813279 [0,1,0,1,0,0|2,0,0]=4 19201 B13R1.337 CC(=O)OCOCC1CC=CCC1 34a_100000210713_100009813279 [0,1,0,1,0,0|0,0,2]=4 19202 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [0,1,0,1,0,0|0,0,0]=2 19203 B13R1.337 CC(=O)OCOCC1CCCCN1 34a_100000210821_100009813279 [0,1,0,1,0,0|1,0,0]=3 19204 B13R1.337 CC(=O)OCOCC1CCCCO1 34a_100000211370_100009813279 [0,1,0,1,0,0|1,0,0]=3 19205 B13R1.337 CC(=O)OCOCC1CCCNC1 34a_100000211344_100009813279 [0,1,0,1,0,0|1,0,0]=3 19206 B13R1.337 CC(=O)OCOCC1CCCOC1 34a_100000741520_100009813279 [0,1,0,1,0,0|1,0,0]=3 19207 B13R1.337 CC(=O)OCOCC1CCNCC1 34a_100000738675_100009813279 [0,1,0,1,0,0|1,0,0]=3 19208 B13R1.337 CC(=O)OCOCC1CCOCC1 34a_100000749013_100009813279 [0,1,0,1,0,0|1,0,0]=3 19209 B13R1.337 CC(=O)OCOCC1CCSCC1 34a_100000070558_100009813279 [0,1,0,1,0,0|1,0,0]=3 19210 B13R1.337 CC(=O)OCOC[C@@H]1CNCCO1 34a_100015189573_100009813279 [0,1,0,1,0,0|2,0,0]=4 19211 B13R1.337 CC(=O)OCOC[C@@H]1COCCN1 34a_100000717676_100009813279 [0,1,0,1,0,0|2,0,0]=4 19212 B13R1.337 CC(=O)OCOC[C@H]1COCCO1 34a_100009875890_100009813279 [0,1,0,1,0,0|2,0,0]=4 19213 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [0,1,0,1,0,0|0,0,0]=2 19214 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [0,1,0,1,0,0|0,0,0]=2 19215 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000076356_100000211543 [0,1,0,1,0,0|1,0,0]=3 19216 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000211543_100000076356 [0,1,0,1,0,0|1,0,0]=3 19217 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000076356_100000741521 [0,1,0,1,0,0|1,0,0]=3 19218 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000741521_100000076356 [0,1,0,1,0,0|1,0,0]=3 19219 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000076356_100000749018 [0,1,0,1,0,0|1,0,0]=3 19220 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000754603_100000076356 [0,1,0,1,0,0|1,0,0]=3 19221 B13R1.337 CC(=O)SCCCN1CCCOC1 2230a_100000131196_100000038929 [0,1,0,1,0,0|1,1,0]=4 19222 B13R1.337 CC(=O)SCCCN1CCCOC1 269982a_100000131196_100000038929 [0,1,0,1,0,0|1,1,0]=4 19223 B13R1.337 CC(=O)SCCCN1CCCOC1 34a_100000131196_100000038929 [0,1,0,1,0,0|1,1,0]=4 19224 B13R1.337 CC(=O)SCCCN1CCOCC1 2230a_100015191051_100000038929 [0,1,0,1,0,0|1,1,0]=4 19225 B13R1.337 CC(=O)SCCCN1CCOCC1 269982a_100015191051_100000038929 [0,1,0,1,0,0|1,1,0]=4 19226 B13R1.337 CC(=O)SCCCN1CCOCC1 34a_100015191051_100000038929 [0,1,0,1,0,0|1,1,0]=4 19227 B13R1.337 CC(=O)SCCCN1CCSCC1 2230a_100000737611_100000038929 [0,1,0,1,0,0|1,1,0]=4 19228 B13R1.337 CC(=O)SCCCN1CCSCC1 269982a_100000737611_100000038929 [0,1,0,1,0,0|1,1,0]=4 19229 B13R1.337 CC(=S)OCCCN1CCCOC1 2230a_100000131196_200135323944 [0,1,0,1,0,0|1,1,0]=4 19230 B13R1.337 CC(=S)OCCCN1CCCOC1 269982a_100000131196_200135323944 [0,1,0,1,0,0|1,1,0]=4 19231 B13R1.337 CC(=S)OCCCN1CCCOC1 34a_100000131196_200135323944 [0,1,0,1,0,0|1,1,0]=4 19232 B13R1.337 CC(=S)OCCCN1CCOCC1 2230a_100015191051_200135323944 [0,1,0,1,0,0|1,1,0]=4 19233 B13R1.337 CC(=S)OCCCN1CCOCC1 269982a_100015191051_200135323944 [0,1,0,1,0,0|1,1,0]=4 19234 B13R1.337 CC(=S)OCCCN1CCOCC1 34a_100015191051_200135323944 [0,1,0,1,0,0|1,1,0]=4 19235 B13R1.337 CC(=S)OCCCN1CCSCC1 2230a_100000737611_200135323944 [0,1,0,1,0,0|1,1,0]=4 19236 B13R1.337 CC(=S)OCCCN1CCSCC1 269982a_100000737611_200135323944 [0,1,0,1,0,0|1,1,0]=4 19237 B13R1.337 CC(Br)COCCC1CCCCC1 34a_100012180447_100011209188 [0,1,0,1,0,0|1,0,1]=4 19238 B13R1.337 CC(C)COCCC1CCCCC1 34a_100000210257_100011209188 [0,1,0,1,0,0|1,0,1]=4 19239 B13R1.337 CC(C)COCCC1CCCCC1 34a_100011217863_100000210624 [0,1,0,1,0,0|1,0,1]=4 19240 B13R1.337 CC(C)COCCC1CCCCC1 7a_100011217863_100000210760 [0,1,0,1,0,0|1,0,1]=4 19241 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000198086_100000210206 [0,1,0,1,0,0|1,0,1]=4 19242 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000212225_100011713725 [0,1,0,1,0,0|1,0,1]=4 19243 B13R1.337 CC(C)OCCCC1CCCCC1 7a_100000198086_100000210206 [0,1,0,1,0,0|1,0,1]=4 19244 B13R1.337 CC(C)OCCCC1CCCCN1 34a_100011934581_100000210206 [0,1,0,1,0,0|1,0,1]=4 19245 B13R1.337 CC(C)OCCCC1CCCNC1 34a_100150707839_100000210206 [0,1,0,1,0,0|1,0,1]=4 19246 B13R1.337 CC(C)OCCCC1CCNCC1 34a_100016988962_100000210206 [0,1,0,1,0,0|1,0,1]=4 19247 B13R1.337 CC(C)OCCCN1CCCCC1 34a_100000212225_100000690320 [0,1,0,1,0,0|1,0,1]=4 19248 B13R1.337 CC(C)OCCCN1CCCCC1 34a_100000212458_100000210206 [0,1,0,1,0,0|1,0,1]=4 19249 B13R1.337 CC(C)OCCNC1CCCCC1 2230a_100000182618_100000211751 [0,1,0,1,0,0|1,0,1]=4 19250 B13R1.337 CC(C)OCCNC1CCCCC1 270004a_100000701111_100000210434 [0,1,0,1,0,0|1,0,1]=4 19251 B13R1.337 CC(C)OCCNC1CCCCC1 34a_100000182618_100000211751 [0,1,0,1,0,0|1,0,1]=4 19252 B13R1.337 CC(C)OCCNC1CCCCC1 34a_100000200466_100000210206 [0,1,0,1,0,0|1,0,1]=4 19253 B13R1.337 CC(C)OCCNC1CCCCC1 34a_100000701111_100000210327 [0,1,0,1,0,0|1,0,1]=4 19254 B13R1.337 CC(C)OCCOC1CCCCC1 34a_100000210231_100000211751 [0,1,0,1,0,0|1,0,1]=4 19255 B13R1.337 CC(C)OCCOC1CCCCC1 34a_100000211219_100000210327 [0,1,0,1,0,0|1,0,1]=4 19256 B13R1.337 CC(C)OCCOC1CCCCC1 34a_100000212225_100011211530 [0,1,0,1,0,0|1,0,1]=4 19257 B13R1.337 CC(C)OCCOC1CCCCC1 34a_100011249652_100000210206 [0,1,0,1,0,0|1,0,1]=4 19258 B13R1.337 CC(C)OCCOC1CCCCC1 7a_100000210231_100000211751 [0,1,0,1,0,0|1,0,1]=4 19259 B13R1.337 CC(C)OCCOC1CCCCC1 7a_100000211219_100000210327 [0,1,0,1,0,0|1,0,1]=4 19260 B13R1.337 CC(C)OCCOC1CCCCC1 7a_100011249652_100000210206 [0,1,0,1,0,0|1,0,1]=4 19261 B13R1.337 CC(C)OCCSC1CCCCC1 62a_100000210327_100000211751 [0,1,0,1,0,0|1,0,1]=4 19262 B13R1.337 CC(C)OCCSC1CCCCC1 62a_100000211751_100000210327 [0,1,0,1,0,0|1,0,1]=4 19263 B13R1.337 CC(C)OCNCC1CCCCC1 2230a_100000210473_100000709892 [0,1,0,1,0,0|1,0,1]=4 19264 B13R1.337 CC(C)OCNCC1CCCCC1 34a_100000210473_100000709892 [0,1,0,1,0,0|1,0,1]=4 19265 B13R1.337 CC(C)OCOCC1CCCCC1 34a_100000212181_100000709892 [0,1,0,1,0,0|1,0,1]=4 19266 B13R1.337 CC(C)OCSCC1CCCCC1 62a_100000211423_100000709892 [0,1,0,1,0,0|1,0,1]=4 19267 B13R1.337 CC(C)OCSCC1CCCCC1 62a_100000709892_100000211423 [0,1,0,1,0,0|1,0,1]=4 19268 B13R1.337 CC(F)COCCC1CCCCC1 34a_100015925927_100011209188 [0,1,0,1,0,0|1,0,1]=4 19269 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,1,0,1,0,0|0,0,2]=4 19270 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,1,0,1,0,0|0,0,2]=4 19271 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [0,1,0,1,0,0|2,0,0]=4 19272 B13R1.337 C[C@@H](Cl)COCCC1CCCCC1 34a_100016084084_100011209188 [0,1,0,1,0,0|1,0,1]=4 19273 B13R1.337 C[C@@H](N)COCCC1CCCCC1 34a_100000737577_100011209188 [0,1,0,1,0,0|1,0,1]=4 19274 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,1,0,1,0,0|0,0,2]=4 19275 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,1,0,1,0,0|0,0,2]=4 19276 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,1,0,1,0,0|2,0,0]=4 19277 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,1,0,1,0,0|2,0,0]=4 19278 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,1,0,1,0,0|2,0,0]=4 19279 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,1,0,1,0,0|2,0,0]=4 19280 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,1,0,1,0,0|2,0,0]=4 19281 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,1,0,1,0,0|2,0,0]=4 19282 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,1,0,1,0,0|2,0,0]=4 19283 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,1,0,1,0,0|2,0,0]=4 19284 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,1,0,1,0,0|2,0,0]=4 19285 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,1,0,1,0,0|2,0,0]=4 19286 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,1,0,1,0,0|2,0,0]=4 19287 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,1,0,1,0,0|2,0,0]=4 19288 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,1,0,1,0,0|2,0,0]=4 19289 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,1,0,1,0,0|2,0,0]=4 19290 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,1,0,1,0,0|2,0,0]=4 19291 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,1,0,1,0,0|2,0,0]=4 19292 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,1,0,1,0,0|2,0,0]=4 19293 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,1,0,1,0,0|2,0,0]=4 19294 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 19295 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 19296 B13R1.337 NC(=O)COCCC1CCCCN1 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 19297 B13R1.337 NC(=O)COCCC1CCCNC1 34a_100000752241_100000187820 [0,1,0,1,0,0|2,0,0]=4 19298 B13R1.337 NC(=O)COCCC1CCNCC1 34a_100015190746_100000187820 [0,1,0,1,0,0|2,0,0]=4 19299 B13R1.337 NC(=O)COCCC1CCOCC1 34a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 19300 B13R1.337 NC(=O)COCCC1CCOCC1 7a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 19301 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,1,0,1,0,0|1,1,0]=4 19302 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,1,0,1,0,0|1,1,0]=4 19303 B13R1.337 NC(=O)NCCNC1CCCCC1 2230a_100000182618_200000034859 [0,1,0,1,0,0|2,0,0]=4 19304 B13R1.337 NC(=O)NCCNC1CCCCC1 34a_100020590234_100000210327 [0,1,0,1,0,0|2,0,0]=4 19305 B13R1.337 NC(=O)NCCOC1CCCCC1 34a_100000181757_100000210327 [0,1,0,1,0,0|2,0,0]=4 19306 B13R1.337 NC(=O)NCCOC1CCCCC1 7a_100000210231_200000034859 [0,1,0,1,0,0|2,0,0]=4 19307 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_100000210327_200000034859 [0,1,0,1,0,0|2,0,0]=4 19308 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_200000034859_100000210327 [0,1,0,1,0,0|2,0,0]=4 19309 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [0,1,0,1,0,0|1,0,0]=3 19310 B13R1.337 NC(=O)OCCNC1CCCOC1 34a_100000719290_200011214921 [0,1,0,1,0,0|2,0,0]=4 19311 B13R1.337 NC(=O)OCCNC1CCOCC1 34a_100000741149_200011214921 [0,1,0,1,0,0|2,0,0]=4 19312 B13R1.337 NC(=O)OCCNC1CCSCC1 34a_100000748639_200011214921 [0,1,0,1,0,0|2,0,0]=4 19313 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [0,1,0,1,0,0|1,0,0]=3 19314 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [0,1,0,1,0,0|1,0,0]=3 19315 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [0,1,0,1,0,0|1,0,0]=3 19316 B13R1.337 NC(=O)OCCOC1CCCCO1 34a_100000033831_200011214921 [0,1,0,1,0,0|2,0,0]=4 19317 B13R1.337 NC(=O)OCCOC1CCCOC1 34a_100000754041_200011214921 [0,1,0,1,0,0|2,0,0]=4 19318 B13R1.337 NC(=O)OCCOC1CCCOC1 7a_100000766696_100000693364 [0,1,0,1,0,0|2,0,0]=4 19319 B13R1.337 NC(=O)OCCOC1CCCSC1 7a_100015962668_200011214921 [0,1,0,1,0,0|2,0,0]=4 19320 B13R1.337 NC(=O)OCCOC1CCOCC1 34a_100000744328_200011214921 [0,1,0,1,0,0|2,0,0]=4 19321 B13R1.337 NC(=O)OCCOC1CCOCC1 7a_100000766696_100000686592 [0,1,0,1,0,0|2,0,0]=4 19322 B13R1.337 NC(=O)OCCOC1CCSCC1 34a_100000731022_200011214921 [0,1,0,1,0,0|2,0,0]=4 19323 B13R1.337 NC(=O)OCCOC1CCSCC1 7a_100000731022_200011214921 [0,1,0,1,0,0|2,0,0]=4 19324 B13R1.337 NC(=O)OCCOC1CCSCC1 7a_100000766696_100011500858 [0,1,0,1,0,0|2,0,0]=4 19325 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [0,1,0,1,0,0|1,0,0]=3 19326 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [0,1,0,1,0,0|1,0,0]=3 19327 B13R1.337 NC(=O)OCCSC1CCCOC1 62a_200011214921_100000693364 [0,1,0,1,0,0|2,0,0]=4 19328 B13R1.337 NC(=O)OCCSC1CCOCC1 62a_200011214921_100011324220 [0,1,0,1,0,0|2,0,0]=4 19329 B13R1.337 NC(=O)OCCSC1CCSCC1 62a_200011214921_100000069128 [0,1,0,1,0,0|2,0,0]=4 19330 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|2,0,0]=4 19331 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,1,0,1,0,0|2,0,0]=4 19332 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,1,0,1,0,0|2,0,0]=4 19333 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,1,0,1,0,0|1,0,0]=3 19334 B13R1.337 O=C([O-])COCCC1CCCCN1 34a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 19335 B13R1.337 O=C([O-])COCCC1CCCNC1 34a_100000752241_100020667443 [0,1,0,1,0,0|2,0,0]=4 19336 B13R1.337 O=C([O-])COCCC1CCNCC1 34a_100015190746_100020667443 [0,1,0,1,0,0|2,0,0]=4 19337 B13R1.337 O=C([O-])COCCC1CCOCC1 34a_100011933979_100020667443 [0,1,0,1,0,0|2,0,0]=4 19338 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,1,0,1,0,0|1,1,0]=4 19339 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,1,0,1,0,0|1,1,0]=4 19340 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 34a_100011217863_100000761209 [0,1,0,1,0,0|2,0,0]=4 19341 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|1,0,0]=3 19342 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,1,0,1,0,0|1,0,0]=3 19343 B13R1.491 CCCOC1CN(C1)COC(=O)C 269982a_200020626125_100000076356 [0,1,0,1,0,0|2,0,0]=4 19344 B13R1.491 CCCOC1CN(C1)COC(=O)C 34a_200020626125_100009813279 [0,1,0,1,0,0|2,0,0]=4 19345 B13R1.568 CC(=O)N1CCCC(C1)CCCO 240690a_100150707839_100015343762 [0,1,0,1,0,0|2,0,0]=4 19346 B13R1.568 CC(=O)N1CCCC(C1)CCCO 527a_100150707839_100103153847 [0,1,0,1,0,0|2,0,0]=4 19347 B13R1.568 CCCOC1CCCN(C1)C(=O)C 11a_100000743837_100015343762 [0,1,0,1,0,0|2,0,0]=4 19348 B13R1.568 CCCOC1CCCN(C1)C(=O)C 1626a_100000743837_100015343762 [0,1,0,1,0,0|2,0,0]=4 19349 B13R1.568 CCCOC1CCCN(C1)C(=O)C 240690a_100000743837_100015343762 [0,1,0,1,0,0|2,0,0]=4 19350 B13R1.568 CCCOC1CCCN(C1)C(=O)C 527a_100000743837_100103153847 [0,1,0,1,0,0|2,0,0]=4 19351 B13R1.568 CCCOC1CCCN(C1)C(=O)C 7a_200011196156_100000210303 [0,1,0,1,0,0|2,0,0]=4 19352 B13R1.568 CCNCC1CCCN(C1)C(=O)C 2230a_100000724452_100000210202 [0,1,0,1,0,0|2,0,0]=4 19353 B13R1.568 CCOCC1CCCN(C1)C(=O)C 34a_200000689997_100000210202 [0,1,0,1,0,0|2,0,0]=4 19354 B13R1.568 CCOCC1CCCN(C1)C(=O)C 7a_200000689997_100000210202 [0,1,0,1,0,0|2,0,0]=4 19355 B13R1.568 COCCC1CCCN(C1)C(=O)C 11a_100011653411_100015343762 [0,1,0,1,0,0|2,0,0]=4 19356 B13R1.568 COCCC1CCCN(C1)C(=O)C 1626a_100011653411_100015343762 [0,1,0,1,0,0|2,0,0]=4 19357 B13R1.568 COCCC1CCCN(C1)C(=O)C 240690a_100011653411_100015343762 [0,1,0,1,0,0|2,0,0]=4 19358 B13R1.568 COCCC1CCCN(C1)C(=O)C 527a_100011653411_100103153847 [0,1,0,1,0,0|2,0,0]=4 19359 B13R1.637 CC(=O)OCCCN1CC(C1)CF 269982a_100010363649_100000042594 [0,1,0,1,0,0|2,0,0]=4 19360 B13R1.637 CC(=O)OCCCN1CC(C1)CF 34a_100010363649_100000042594 [0,1,0,1,0,0|2,0,0]=4 19361 B13R1.637 CC(=O)OCCCN1CC(C1)CO 269982a_100016987283_100000042594 [0,1,0,1,0,0|2,0,0]=4 19362 B13R1.637 CC(=O)OCCCN1CC(C1)CO 34a_100016987283_100000042594 [0,1,0,1,0,0|2,0,0]=4 19363 B13R1.637 CC(=O)OCCSC1CC(C1)CO 62a_100009814007_100009874164 [0,1,0,1,0,0|2,0,0]=4 19364 B13R1.637 CC(=O)OCCSC1CC(C1)CO 62a_100009874164_100009814007 [0,1,0,1,0,0|2,0,0]=4 19365 B13R1.637 CCC1CN(C1)CCCCC(=O)C 269982a_100015205115_100000735457 [0,1,0,1,0,0|2,0,0]=4 19366 B13R1.637 CCC1CN(C1)CCCOC(=O)C 269982a_100015205115_100000042594 [0,1,0,1,0,0|1,0,0]=3 19367 B13R1.637 CCC1CN(C1)CCCOC(=S)C 2230a_100015205115_200135323944 [0,1,0,1,0,0|1,1,0]=4 19368 B13R1.637 CCC1CN(C1)CCCOC(=S)C 269982a_100015205115_200135323944 [0,1,0,1,0,0|1,1,0]=4 19369 B13R1.637 CCC1CN(C1)CCCSC(=O)C 2230a_100015205115_100000038929 [0,1,0,1,0,0|1,1,0]=4 19370 B13R1.637 CCC1CN(C1)CCCSC(=O)C 269982a_100015205115_100000038929 [0,1,0,1,0,0|1,1,0]=4 19371 B13R1.637 COC1CN(C1)CCCOC(=O)C 269982a_100000755009_100000042594 [0,1,0,1,0,0|2,0,0]=4 19372 B13R1.637 CSC1CN(C1)CCCOC(=O)C 269982a_100016990038_100000042594 [0,1,0,1,0,0|2,0,0]=4 19373 B13R1.678 CCCCC(C)NCC1CC(=O)C1 2230a_100000126638_100009874392 [0,1,0,1,0,0|2,0,0]=4 19374 B13R1.678 CCCCC(C)OCC1CC(=O)C1 34a_100000101936_200011215066 [0,1,0,1,0,0|2,0,0]=4 19375 B13R1.678 CCCCC(C)OCC1CC(=O)C1 7a_100000687866_100009874392 [0,1,0,1,0,0|2,0,0]=4 19376 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_100009874392_200011215066 [0,1,0,1,0,0|2,0,0]=4 19377 B13R1.678 CCCCC(C)SCC1CC(=O)C1 62a_200011215066_100009874392 [0,1,0,1,0,0|2,0,0]=4 19378 B13R1.809 CC(=O)CCCCC(=O)C1CC1C 1458a_100000211227_100000735457 [0,1,0,1,0,0|1,0,1]=4 19379 B13R1.809 CC(=O)OCCCC(=O)C1CC1C 1458a_100000211227_100000042594 [0,1,0,1,0,0|0,0,1]=3 19380 B13R1.809 CC(=O)OCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000042594 [0,1,0,1,0,0|1,0,1]=4 19381 B13R1.809 CC(=O)OCCNC(=O)C1CC1C 11a_100000724843_100000211227 [0,1,0,1,0,0|1,0,1]=4 19382 B13R1.809 CC(=O)OCCNC(=O)C1CC1C 527a_100000724843_100000211227 [0,1,0,1,0,0|1,0,1]=4 19383 B13R1.809 CC(=O)SCCCC(=O)C1CC1C 1458a_100000211227_100000038929 [0,1,0,1,0,0|0,1,1]=4 19384 B13R1.809 CC(=S)OCCCC(=O)C1CC1C 1458a_100000211227_200135323944 [0,1,0,1,0,0|0,1,1]=4 19385 B13R1.893 CC(=O)OCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000076356 [0,1,0,1,0,0|2,0,0]=4 19386 B13R1.893 CC(=O)OCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100009813279 [0,1,0,1,0,0|2,0,0]=4 19387 B13R1.1042 CC(=O)CCCCC(=O)C1CCC1 1458a_100000209988_100000735457 [0,1,0,1,0,0|1,0,1]=4 19388 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 269982a_100000758072_100000735457 [0,1,0,1,0,0|2,0,0]=4 19389 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 34a_100000758072_100009817362 [0,1,0,1,0,0|2,0,0]=4 19390 B13R1.1042 CC(=O)CCCNC(C)C1CCC1 34a_100016994624_100000685027 [0,1,0,1,0,0|2,0,0]=4 19391 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 34a_100000766398_100000685027 [0,1,0,1,0,0|2,0,0]=4 19392 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 7a_100000766398_100011215641 [0,1,0,1,0,0|2,0,0]=4 19393 B13R1.1042 CC(=O)NCCCC(=O)C1CCC1 1458a_100000194741_100000749161 [0,1,0,1,0,0|1,0,1]=4 19394 B13R1.1042 CC(=O)NCCNC(C)C1CCC1 2230a_100016994624_100000189650 [0,1,0,1,0,0|2,0,0]=4 19395 B13R1.1042 CC(=O)NCCNC(C)C1CCC1 269862a_100000209853_100000760154 [0,1,0,1,0,0|2,0,0]=4 19396 B13R1.1042 CC(=O)NCCOC(C)C1CCC1 7a_100000766398_100000189650 [0,1,0,1,0,0|2,0,0]=4 19397 B13R1.1042 CC(=O)OCCCC(=O)C1CCC1 1458a_100000209988_100000042594 [0,1,0,1,0,0|0,0,1]=3 19398 B13R1.1042 CC(=O)OCCCC(=O)C1CCO1 1458a_100000089072_100000042594 [0,1,0,1,0,0|1,0,1]=4 19399 B13R1.1042 CC(=O)OCCCC(=O)C1COC1 1458a_100000758290_100000042594 [0,1,0,1,0,0|1,0,1]=4 19400 B13R1.1042 CC(=O)OCCCN(C)C1CCC1 269982a_100000758072_100000042594 [0,1,0,1,0,0|1,0,0]=3 19401 B13R1.1042 CC(=O)OCCCN(C)C1CCC1 34a_100000758072_100000042594 [0,1,0,1,0,0|1,0,0]=3 19402 B13R1.1042 CC(=O)OCCCN(C)C1COC1 269982a_100102693430_100000042594 [0,1,0,1,0,0|2,0,0]=4 19403 B13R1.1042 CC(=O)OCCNC(=O)C1CCC1 11a_100000724843_100000209988 [0,1,0,1,0,0|1,0,1]=4 19404 B13R1.1042 CC(=O)OCCNC(=O)C1CCC1 240690a_100000724843_100000209988 [0,1,0,1,0,0|1,0,1]=4 19405 B13R1.1042 CC(=O)OCCNC(=O)C1CCC1 527a_100000724843_100000209988 [0,1,0,1,0,0|1,0,1]=4 19406 B13R1.1042 CC(=O)OCCNC(C)C1CCC1 34a_100016994624_100009814007 [0,1,0,1,0,0|1,0,0]=3 19407 B13R1.1042 CC(=O)OCCOC(C)C1CCC1 34a_100000766398_100009814007 [0,1,0,1,0,0|1,0,0]=3 19408 B13R1.1042 CC(=O)OCCOC(C)C1CCC1 7a_100000766398_100009814007 [0,1,0,1,0,0|1,0,0]=3 19409 B13R1.1042 CC(=O)OCOC[C@@H](N)C1COC1 34a_217856628679_100009813279 [0,1,0,1,0,0|2,0,0]=4 19410 B13R1.1042 CC(=O)OCSCC(=O)C1CCC1 62a_100000076356_100000686122 [0,1,0,1,0,0|1,0,1]=4 19411 B13R1.1042 CC(=O)OCSCC(=O)C1CCC1 62a_100000686122_100000076356 [0,1,0,1,0,0|1,0,1]=4 19412 B13R1.1042 CC(=O)SCCCC(=O)C1CCC1 1458a_100000209988_100000038929 [0,1,0,1,0,0|0,1,1]=4 19413 B13R1.1042 CC(=O)SCCCN(C)C1CCC1 2230a_100000758072_100000038929 [0,1,0,1,0,0|1,1,0]=4 19414 B13R1.1042 CC(=O)SCCCN(C)C1CCC1 269982a_100000758072_100000038929 [0,1,0,1,0,0|1,1,0]=4 19415 B13R1.1042 CC(=O)SCCCN(C)C1CCC1 34a_100000758072_100000038929 [0,1,0,1,0,0|1,1,0]=4 19416 B13R1.1042 CC(=O)SCCNC(C)C1CCC1 269862a_100020647217_100000760154 [0,1,0,1,0,0|1,1,0]=4 19417 B13R1.1042 CC(=S)OCCCC(=O)C1CCC1 1458a_100000209988_200135323944 [0,1,0,1,0,0|0,1,1]=4 19418 B13R1.1042 CC(=S)OCCCN(C)C1CCC1 2230a_100000758072_200135323944 [0,1,0,1,0,0|1,1,0]=4 19419 B13R1.1042 CC(=S)OCCCN(C)C1CCC1 269982a_100000758072_200135323944 [0,1,0,1,0,0|1,1,0]=4 19420 B13R1.1042 CC(=S)OCCCN(C)C1CCC1 34a_100000758072_200135323944 [0,1,0,1,0,0|1,1,0]=4 19421 B13R1.1042 CC(NCCOC(=O)N)C1CCC1 34a_100016994624_200011214921 [0,1,0,1,0,0|2,0,0]=4 19422 B13R1.1042 CC(OCCOC(=O)N)C1CCC1 34a_100000766398_200011214921 [0,1,0,1,0,0|2,0,0]=4 19423 B13R1.1042 CC(OCCOC(=O)N)C1CCC1 7a_100000766398_200011214921 [0,1,0,1,0,0|2,0,0]=4 19424 B13R1.1044 CC(=O)CCCCC(=O)CC1CC1 1458a_100000738066_100000735457 [0,1,0,1,0,0|1,0,1]=4 19425 B13R1.1044 CC(=O)CCCCN(C)CC1CC1 269982a_100000741881_100000735457 [0,1,0,1,0,0|2,0,0]=4 19426 B13R1.1044 CC(=O)NCCCC(=O)CC1CC1 1458a_100000194741_100000742324 [0,1,0,1,0,0|1,0,1]=4 19427 B13R1.1044 CC(=O)OCCCC(=O)CC1CC1 1458a_100000738066_100000042594 [0,1,0,1,0,0|0,0,1]=3 19428 B13R1.1044 CC(=O)OCCCN(C)CC1CC1 269982a_100000741881_100000042594 [0,1,0,1,0,0|1,0,0]=3 19429 B13R1.1044 CC(=O)OCCNC(=O)CC1CC1 11a_100000724843_100000738066 [0,1,0,1,0,0|1,0,1]=4 19430 B13R1.1044 CC(=O)OCCNC(=O)CC1CC1 240690a_100000724843_100000738066 [0,1,0,1,0,0|1,0,1]=4 19431 B13R1.1044 CC(=O)OCCNC(=O)CC1CC1 527a_100000724843_100000738066 [0,1,0,1,0,0|1,0,1]=4 19432 B13R1.1044 CC(=O)SCCCC(=O)CC1CC1 1458a_100000738066_100000038929 [0,1,0,1,0,0|0,1,1]=4 19433 B13R1.1044 CC(=O)SCCCN(C)CC1CC1 2230a_100000741881_100000038929 [0,1,0,1,0,0|1,1,0]=4 19434 B13R1.1044 CC(=O)SCCCN(C)CC1CC1 269982a_100000741881_100000038929 [0,1,0,1,0,0|1,1,0]=4 19435 B13R1.1044 CC(=S)OCCCC(=O)CC1CC1 1458a_100000738066_200135323944 [0,1,0,1,0,0|0,1,1]=4 19436 B13R1.1044 CC(=S)OCCCN(C)CC1CC1 2230a_100000741881_200135323944 [0,1,0,1,0,0|1,1,0]=4 19437 B13R1.1044 CC(=S)OCCCN(C)CC1CC1 269982a_100000741881_200135323944 [0,1,0,1,0,0|1,1,0]=4 19438 B13R1.2068 CC(=O)OCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000076356 [0,1,0,1,0,0|2,0,0]=4 19439 B13R1.2068 CC(=O)OCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000076356 [0,1,0,1,0,0|2,0,0]=4 19440 B13R1.2068 CC(=O)OCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100009813279 [0,1,0,1,0,0|2,0,0]=4 19441 B13R1.2510 CCCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210211 [0,1,0,1,0,0|1,0,1]=4 19442 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000053229 [0,1,0,1,0,0|2,0,0]=4 19443 B13R1.3501 CC(=O)OCN1CCCCC(C1)O 269982a_100025706797_100000076356 [0,1,0,1,0,0|1,0,0]=3 19444 B13R1.3501 CC(=O)OCN1CCOC[C@@H](C1)O 269982a_100016073750_100000076356 [0,1,0,1,0,0|2,0,0]=4 19445 B13R1.3501 CC(C)CCN1CCCNC(=O)C1 2230a_100015190381_100000210312 [0,1,0,1,0,0|2,0,0]=4 19446 B13R1.3501 CC(O)CCN1CCCNC(=O)C1 2230a_100015190381_100012276601 [0,1,0,1,0,0|2,0,0]=4 19447 B13R1.3529 CC(=O)CCCN1C(CCC1C)C 269982a_100000687148_100011215641 [0,1,0,1,0,0|2,0,0]=4 19448 B13R1.3529 CC(=O)CCCN1C(CCC1C)C 34a_100000687148_100000685027 [0,1,0,1,0,0|2,0,0]=4 19449 B13R1.3529 CC(=O)NCCN1C(CCC1C)C 2230a_100000687148_100000189650 [0,1,0,1,0,0|2,0,0]=4 19450 B13R1.3529 CC(=O)NCCN1C(CCC1C)C 269982a_100000687148_100000189650 [0,1,0,1,0,0|2,0,0]=4 19451 B13R1.3529 CC(=O)OCCN1C(CCC1C)C 269982a_100000687148_100009814007 [0,1,0,1,0,0|1,0,0]=3 19452 B13R1.3529 CC(=O)OCCN1C(CCC1C)C 34a_100000687148_100009814007 [0,1,0,1,0,0|1,0,0]=3 19453 B13R1.3529 CC1CCC(N1CCOC(=O)N)C 269982a_100000687148_200011214921 [0,1,0,1,0,0|2,0,0]=4 19454 B13R1.3529 CC1CCC(N1CCOC(=O)N)C 34a_100000687148_200011214921 [0,1,0,1,0,0|2,0,0]=4 19455 B13R1.7746 CC(=O)CCCOC1(CCCC1)C 34a_100000751722_100000685027 [0,1,0,1,0,0|2,0,0]=4 19456 B13R1.7746 CC(=O)CCCOC1(CCCC1)C 7a_100000751722_100011215641 [0,1,0,1,0,0|2,0,0]=4 19457 B13R1.7746 CC(=O)NCCOC1(CCCC1)C 7a_100000751722_100000189650 [0,1,0,1,0,0|2,0,0]=4 19458 B13R1.7746 CC(=O)OCCOC1(CCCC1)C 34a_100000751722_100009814007 [0,1,0,1,0,0|1,0,0]=3 19459 B13R1.7746 CC(=O)OCCOC1(CCCC1)C 7a_100000751722_100009814007 [0,1,0,1,0,0|1,0,0]=3 19460 B13R1.7746 CC(=O)OCOCC1(CCCC1)N 34a_100000749328_100009813279 [0,1,0,1,0,0|1,0,0]=3 19461 B13R1.7746 CC(=O)OCOC[C@@]1(CCCN1)C 34a_100016195882_100009813279 [0,1,0,1,0,0|2,0,0]=4 19462 B13R1.7746 CC1(CCCC1)OCCOC(=O)N 34a_100000751722_200011214921 [0,1,0,1,0,0|2,0,0]=4 19463 B13R1.7746 CC1(CCCC1)OCCOC(=O)N 7a_100000751722_200011214921 [0,1,0,1,0,0|2,0,0]=4 19464 B13R1.195 C[C@@H]1CCCN1CCOS(=O)(=O)C 2230a_100015189458_200000036756 [0,1,0,1,0,0|2,0,0]=4 19465 B13R1.195 C[C@@H]1CCCN1CCOS(=O)(=O)C 269982a_100015189458_200000036756 [0,1,0,1,0,0|2,0,0]=4 19466 B13R1.195 C[C@@H]1CCCN1CCOS(=O)(=O)C 34a_100015189458_200000036756 [0,1,0,1,0,0|2,0,0]=4 19467 B13R1.195 C[C@H]1CCCN1CCOS(=O)(=O)C 2230a_100020605311_200000036756 [0,1,0,1,0,0|2,0,0]=4 19468 B13R1.195 C[C@H]1CCCN1CCOS(=O)(=O)C 269982a_100020605311_200000036756 [0,1,0,1,0,0|2,0,0]=4 19469 B13R1.286 CC1CC1COCCOS(=O)(=O)C 34a_100000744939_200000036756 [0,1,0,1,0,0|2,0,0]=4 19470 B13R1.286 CC1CC1COCCOS(=O)(=O)C 7a_100000744939_200000036756 [0,1,0,1,0,0|2,0,0]=4 19471 B13R1.381 CCCC1CCCCN1S(=O)(=O)C 40a_100000701414_100000738038 [0,1,0,1,0,0|2,0,0]=4 19472 B13R1.622 CCC1CCCCC1OC(C)(C)C 34a_100000210738_100000210625 [0,1,0,1,0,0|1,0,1]=4 19473 B13R1.2904 CC(C)(C)OCCCC1CCCC1 34a_100011215328_100000210625 [0,1,0,1,0,0|1,0,1]=4 19474 B13R1.2904 CC(C)(C)OCCCC1CCCC1 34a_100015890283_100011713738 [0,1,0,1,0,0|1,0,1]=4 19475 B13R1.2904 CC(C)(C)OCCCC1CCCC1 7a_100015890283_100011713738 [0,1,0,1,0,0|1,0,1]=4 19476 B13R1.2904 CS(=O)(=O)NCCCC1CCCC1 40a_100000736752_100000738038 [0,1,0,1,0,0|2,0,0]=4 19477 B13R1.2904 CS(=O)(=O)OCCNC1CCCC1 2230a_100000211070_200000036756 [0,1,0,1,0,0|2,0,0]=4 19478 B13R1.2904 CS(=O)(=O)OCCNC1CCCC1 34a_100000211070_200000036756 [0,1,0,1,0,0|2,0,0]=4 19479 B13R1.2904 CS(=O)(=O)OCCOC1CCCC1 34a_100000210269_200000036756 [0,1,0,1,0,0|2,0,0]=4 19480 B13R1.2904 CS(=O)(=O)OCCOC1CCCC1 7a_100000210269_200000036756 [0,1,0,1,0,0|2,0,0]=4 19481 B13R1.2904 CS(=O)(=O)OCCSC1CCCC1 62a_100011217020_200000036756 [0,1,0,1,0,0|2,0,0]=4 19482 B13R1.2904 CS(=O)(=O)OCCSC1CCCC1 62a_200000036756_100000179811 [0,1,0,1,0,0|2,0,0]=4 19483 B13R1.2905 CS(=O)(=O)OCCNCC1CCC1 2230a_100000738700_200000036756 [0,1,0,1,0,0|2,0,0]=4 19484 B13R1.2905 CS(=O)(=O)OCCNCC1CCC1 34a_100000738700_200000036756 [0,1,0,1,0,0|2,0,0]=4 19485 B13R1.2905 CS(=O)(=O)OCCOCC1CCC1 34a_100000760304_200000036756 [0,1,0,1,0,0|2,0,0]=4 19486 B13R1.2905 CS(=O)(=O)OCCSCC1CCC1 62a_100000763275_200000036756 [0,1,0,1,0,0|2,0,0]=4 19487 B13R1.2905 CS(=O)(=O)OCCSCC1CCC1 62a_200000036756_100000763275 [0,1,0,1,0,0|2,0,0]=4 19488 B13R1.2938 CCCCCCCCOC1(CC1)C 7a_100011725673_100000210759 [0,1,0,1,0,0|1,0,1]=4 19489 B13R1.3523 CC(C)(C)OCCC1CCCCC1 34a_100011217863_100000210625 [0,1,0,1,0,0|1,0,1]=4 19490 B13R1.3523 CC(C)(C)OCCC1CCCCC1 34a_100015890283_100011209188 [0,1,0,1,0,0|1,0,1]=4 19491 B13R1.3523 CC(C)(C)OCCC1CCCCC1 7a_100015890283_100011273959 [0,1,0,1,0,0|1,0,1]=4 19492 B13R1.3523 CS(=O)(=O)NCCC1CCCCC1 40a_100000738074_100000738038 [0,1,0,1,0,0|2,0,0]=4 19493 B13R1.3672 CCCCCCOCC1OC1(C)C 34a_200010283642_100000210314 [0,1,0,1,0,0|1,0,1]=4 19494 B13R1.3672 CCCCCCOCC1OC1(C)C 7a_200010283642_100000210314 [0,1,0,1,0,0|1,0,1]=4 19495 B13R1.6264 CS(=O)(=O)N1CCCCCCCC1 40a_100000039187_100000738038 [0,1,0,1,0,0|2,0,0]=4 19496 B13R1.6268 CC(C)(C)OCC1CCCCCC1 34a_100000699130_100000210625 [0,1,0,1,0,0|1,0,1]=4 19497 B13R1.6268 CC(C)(C)OCC1CCCCCC1 34a_100015890283_200000696569 [0,1,0,1,0,0|1,0,1]=4 19498 B13R1.6268 CC(C)(C)OCC1CCCCCC1 7a_100015890283_200000696569 [0,1,0,1,0,0|1,0,1]=4 19499 B13R1.6268 CS(=O)(=O)NCC1CCCCCC1 40a_100015204231_100000738038 [0,1,0,1,0,0|2,0,0]=4 19500 B13R1.6271 CS(=O)(=O)OCCNCCC1CC1 34a_100000764129_200000036756 [0,1,0,1,0,0|2,0,0]=4 19501 B13R1.6271 CS(=O)(=O)OCCOCCC1CC1 34a_100000754188_200000036756 [0,1,0,1,0,0|2,0,0]=4 19502 B13R1.6271 CS(=O)(=O)OCCOCCC1CC1 7a_100000754188_200000036756 [0,1,0,1,0,0|2,0,0]=4 19503 B13R1.6271 CS(=O)(=O)OCCSCCC1CC1 62a_100000764125_200000036756 [0,1,0,1,0,0|2,0,0]=4 19504 B13R1.6271 CS(=O)(=O)OCCSCCC1CC1 62a_200000036756_100000764125 [0,1,0,1,0,0|2,0,0]=4 19505 B13R1.6279 CC(C)(C)OC1CCCCCCC1 34a_100000210054_100000210625 [0,1,0,1,0,0|1,0,1]=4 19506 B13R1.6279 CS(=O)(=O)NC1CCCCCCC1 40a_100000211152_100000738038 [0,1,0,1,0,0|2,0,0]=4 19507 B13R1.15 CCC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000748023 [0,1,0,1,0,0|2,0,0]=4 19508 B13R1.15 CCC(C)CNC1CCNC(=O)C1 34a_100016994916_100000748023 [0,1,0,1,0,0|2,0,0]=4 19509 B13R1.15 CCC(C)COC1CCCC(=O)C1 34a_100012613340_100000748023 [0,1,0,1,0,0|2,0,0]=4 19510 B13R1.15 CCC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000748023 [0,1,0,1,0,0|2,0,0]=4 19511 B13R1.15 CCC(C)OCC1CCNC(=O)C1 34a_100009886756_100011215416 [0,1,0,1,0,0|2,0,0]=4 19512 B13R1.15 CCC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218378 [0,1,0,1,0,0|2,0,0]=4 19513 B13R1.15 CCC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218378 [0,1,0,1,0,0|2,0,0]=4 19514 B13R1.15 CCC(O)COC1CCCC(=O)C1 34a_100012613340_100011218378 [0,1,0,1,0,0|2,0,0]=4 19515 B13R1.15 CCC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218378 [0,1,0,1,0,0|2,0,0]=4 19516 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 2230a_100016994916_100009816398 [0,1,0,1,0,0|2,0,0]=4 19517 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 34a_100016994916_100009816398 [0,1,0,1,0,0|2,0,0]=4 19518 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 34a_100012613340_100009816398 [0,1,0,1,0,0|2,0,0]=4 19519 B13R1.15 CC[C@H](C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009816398 [0,1,0,1,0,0|2,0,0]=4 19520 B13R1.60 CC(=O)OCCN1CCC(C1)CO 269982a_100000748654_100009814007 [0,1,0,1,0,0|2,0,0]=4 19521 B13R1.60 CC(=O)OCCN1CCC(C1)CO 34a_100000748654_100009814007 [0,1,0,1,0,0|2,0,0]=4 19522 B13R1.60 CCN1CCC(C1)SCOC(=O)C 62a_100000076356_200011861547 [0,1,0,1,0,0|2,0,0]=4 19523 B13R1.60 CO[C@@H]1CCN(C1)CCOC(=O)C 269982a_100000766984_100009814007 [0,1,0,1,0,0|2,0,0]=4 19524 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [0,1,0,1,0,0|1,0,0]=3 19525 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [0,1,0,1,0,0|1,0,0]=3 19526 B13R1.198 CC(=O)OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000033659 [0,1,0,1,0,0|1,0,0]=3 19527 B13R1.198 CC(=O)OCCCOCC1CC1C 34a_100000744939_100000042594 [0,1,0,1,0,0|0,0,0]=2 19528 B13R1.198 CC(=O)OCCCOCC1CC1C 7a_100000744939_100000042594 [0,1,0,1,0,0|0,0,0]=2 19529 B13R1.198 CC(=O)OCCOCN[C@@H]1C[C@H]1F 34a_100025746932_100000076355 [0,1,0,1,0,0|2,0,0]=4 19530 B13R1.198 CC(=O)SCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200010402107 [0,1,0,1,0,0|1,1,0]=4 19531 B13R1.198 CC(=O)SCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200010402107 [0,1,0,1,0,0|1,1,0]=4 19532 B13R1.198 CC(=O)SCCCCN[C@@H]1C[C@H]1F 34a_100025746932_200010402107 [0,1,0,1,0,0|1,1,0]=4 19533 B13R1.198 CC(=O)SCCCOCC1CC1C 34a_100000744939_100000038929 [0,1,0,1,0,0|0,1,0]=3 19534 B13R1.198 CC(=O)SCCCOCC1CC1C 7a_100000744939_100000038929 [0,1,0,1,0,0|0,1,0]=3 19535 B13R1.198 CC(=S)OCCCOCC1CC1C 34a_100000744939_200135323944 [0,1,0,1,0,0|0,1,0]=3 19536 B13R1.198 CC(=S)OCCCOCC1CC1C 7a_100000744939_200135323944 [0,1,0,1,0,0|0,1,0]=3 19537 B13R1.198 CC1CC1COCCOCC(=O)N 34a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 19538 B13R1.198 CC1CC1COCCOCC(=O)N 7a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 19539 B13R1.297 CC(=O)OCCCCN1CCC1C 269982a_100000755817_100000033659 [0,1,0,1,0,0|0,0,0]=2 19540 B13R1.297 CC(=O)OCCCCN1CCC1C 34a_100000755817_100000033659 [0,1,0,1,0,0|0,0,0]=2 19541 B13R1.297 CC(=O)OCCCSC1CCC1=O 62a_100000042594_100009892977 [0,1,0,1,0,0|1,0,1]=4 19542 B13R1.297 CC(=O)OCCCSC1CCC1=O 62a_100009892977_100000042594 [0,1,0,1,0,0|1,0,1]=4 19543 B13R1.297 CC(=O)OCCOCN1CCC1C 269982a_100000755817_100000076355 [0,1,0,1,0,0|1,0,0]=3 19544 B13R1.297 CC(=O)OCCOCN1CCC1C 34a_100000755817_100000076355 [0,1,0,1,0,0|1,0,0]=3 19545 B13R1.297 CC(=O)OCSCCC1CCC1=O 62a_100000076356_200016118888 [0,1,0,1,0,0|1,0,1]=4 19546 B13R1.297 CC(=O)OCSCCC1CCC1=O 62a_200016118888_100000076356 [0,1,0,1,0,0|1,0,1]=4 19547 B13R1.297 CC(=O)SCCCCN1CCC1C 269982a_100000755817_200010402107 [0,1,0,1,0,0|0,1,0]=3 19548 B13R1.297 CC(=O)SCCCCN1CCC1C 34a_100000755817_200010402107 [0,1,0,1,0,0|0,1,0]=3 19549 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [0,1,0,1,0,0|2,0,0]=4 19550 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [0,1,0,1,0,0|2,0,0]=4 19551 B13R1.297 CC1CCN1CCCCO[N+](=O)[O-] 269982a_100000755817_100015694321 [0,1,0,1,0,0|2,0,0]=4 19552 B13R1.297 CC1CCN1CCCCO[N+](=O)[O-] 34a_100000755817_100015694321 [0,1,0,1,0,0|2,0,0]=4 19553 B13R1.513 C=C1CCN(CC1)CCOC(=O)C 269982a_100000752442_100009814007 [0,1,0,1,0,0|1,0,1]=4 19554 B13R1.513 C=C1CCN(CC1)CCOC(=O)C 34a_100000752442_100009814007 [0,1,0,1,0,0|1,0,1]=4 19555 B13R1.513 CC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100011215641 [0,1,0,1,0,0|2,0,0]=4 19556 B13R1.513 CC(=O)CCCN1CCC(CC1)C 34a_100000188429_100000685027 [0,1,0,1,0,0|2,0,0]=4 19557 B13R1.513 CC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100011215641 [0,1,0,1,0,0|2,0,0]=4 19558 B13R1.513 CC(=O)CCCN1CCC(CC1)F 34a_100015193889_100000685027 [0,1,0,1,0,0|2,0,0]=4 19559 B13R1.513 CC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100011215641 [0,1,0,1,0,0|2,0,0]=4 19560 B13R1.513 CC(=O)CCOC1CCC(CC1)C 34a_100000759926_200011216234 [0,1,0,1,0,0|2,0,0]=4 19561 B13R1.513 CC(=O)CCOC1CCC(CC1)C 7a_100000210714_100000053229 [0,1,0,1,0,0|2,0,0]=4 19562 B13R1.513 CC(=O)CCSC1CCC(CC1)C 62a_100000053229_200011216234 [0,1,0,1,0,0|2,0,0]=4 19563 B13R1.513 CC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100015343762 [0,1,0,1,0,0|1,0,0]=3 19564 B13R1.513 CC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100015343762 [0,1,0,1,0,0|1,0,0]=3 19565 B13R1.513 CC(=O)NCCC1CCC(CC1)O 527a_200011935226_100103153847 [0,1,0,1,0,0|1,0,0]=3 19566 B13R1.513 CC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100015343762 [0,1,0,1,0,0|2,0,0]=4 19567 B13R1.513 CC(=O)NCCC1CCN(CC1)C 2230a_100011370063_200000210301 [0,1,0,1,0,0|2,0,0]=4 19568 B13R1.513 CC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100015343762 [0,1,0,1,0,0|2,0,0]=4 19569 B13R1.513 CC(=O)NCCC1CCN(CC1)C 269982a_100011370063_200000210301 [0,1,0,1,0,0|2,0,0]=4 19570 B13R1.513 CC(=O)NCCC1CCN(CC1)C 34a_100011370063_200000210301 [0,1,0,1,0,0|2,0,0]=4 19571 B13R1.513 CC(=O)NCCC1CCN(CC1)C 527a_100000748683_100103153847 [0,1,0,1,0,0|2,0,0]=4 19572 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 2230a_100011370063_200025704644 [0,1,0,1,0,0|2,0,0]=4 19573 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 269982a_100011370063_200025704644 [0,1,0,1,0,0|2,0,0]=4 19574 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 34a_100011370063_200025704644 [0,1,0,1,0,0|2,0,0]=4 19575 B13R1.513 CC(=O)NCCN1CCC(CC1)C 2230a_100000188429_100000189650 [0,1,0,1,0,0|2,0,0]=4 19576 B13R1.513 CC(=O)NCCN1CCC(CC1)C 240690a_100000739677_100015343762 [0,1,0,1,0,0|2,0,0]=4 19577 B13R1.513 CC(=O)NCCN1CCC(CC1)C 269982a_100000188429_100000189650 [0,1,0,1,0,0|2,0,0]=4 19578 B13R1.513 CC(=O)NCCN1CCC(CC1)C 527a_100000739677_100103153847 [0,1,0,1,0,0|2,0,0]=4 19579 B13R1.513 CC(=O)NCCN1CCC(CC1)F 2230a_100015193889_100000189650 [0,1,0,1,0,0|2,0,0]=4 19580 B13R1.513 CC(=O)NCCN1CCC(CC1)F 269982a_100015193889_100000189650 [0,1,0,1,0,0|2,0,0]=4 19581 B13R1.513 CC(=O)NCCN1CCC(CC1)O 2230a_100025773856_100000189650 [0,1,0,1,0,0|2,0,0]=4 19582 B13R1.513 CC(=O)NCCN1CCC(CC1)O 240690a_100020666255_100015343762 [0,1,0,1,0,0|2,0,0]=4 19583 B13R1.513 CC(=O)NCCN1CCC(CC1)O 269982a_100025773856_100000189650 [0,1,0,1,0,0|2,0,0]=4 19584 B13R1.513 CC(=O)NCCN1CCC(CC1)O 527a_100020666255_100103153847 [0,1,0,1,0,0|2,0,0]=4 19585 B13R1.513 CC(=O)OCCN1CCC(CC1)C 269982a_100000188429_100009814007 [0,1,0,1,0,0|1,0,0]=3 19586 B13R1.513 CC(=O)OCCN1CCC(CC1)C 34a_100000188429_100009814007 [0,1,0,1,0,0|1,0,0]=3 19587 B13R1.513 CC(=O)OCCN1CCC(CC1)F 269982a_100015193889_100009814007 [0,1,0,1,0,0|1,0,0]=3 19588 B13R1.513 CC(=O)OCCN1CCC(CC1)F 34a_100015193889_100009814007 [0,1,0,1,0,0|1,0,0]=3 19589 B13R1.513 CC(=O)OCCN1CCC(CC1)O 269982a_100025773856_100009814007 [0,1,0,1,0,0|1,0,0]=3 19590 B13R1.513 CC(=O)OCCN1CCN(CC1)C 269982a_100000188432_100009814007 [0,1,0,1,0,0|2,0,0]=4 19591 B13R1.513 CC(=O)OCCN1CCS(=O)CC1 269982a_100000752083_100009814007 [0,1,0,1,0,0|2,0,0]=4 19592 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009813279 [0,1,0,1,0,0|1,0,0]=3 19593 B13R1.513 CC(=O)OCOC1CCC(=O)CC1 34a_100000764474_100009813279 [0,1,0,1,0,0|1,0,1]=4 19594 B13R1.513 CC(=O)OCOC1CCC(CC1)C 34a_100000210714_100009813279 [0,1,0,1,0,0|1,0,0]=3 19595 B13R1.513 CC(=O)OCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009813279 [0,1,0,1,0,0|1,0,0]=3 19596 B13R1.513 CC(=O)OCSC1CCC(CC1)C 62a_100000076356_200011216234 [0,1,0,1,0,0|1,0,0]=3 19597 B13R1.513 CC(=O)OCSC1CCN(CC1)C 62a_100000076356_100011215917 [0,1,0,1,0,0|2,0,0]=4 19598 B13R1.513 CC(C)OCCC1CCC(CC1)N 34a_100000070672_100000210206 [0,1,0,1,0,0|1,0,1]=4 19599 B13R1.513 CC1CCN(CC1)CCOC(=O)N 269982a_100000188429_200011214921 [0,1,0,1,0,0|2,0,0]=4 19600 B13R1.513 CC1CCN(CC1)CCOC(=O)N 34a_100000188429_200011214921 [0,1,0,1,0,0|2,0,0]=4 19601 B13R1.513 NC(=O)OCCN1CCC(CC1)F 269982a_100015193889_200011214921 [0,1,0,1,0,0|2,0,0]=4 19602 B13R1.513 NC(=O)OCCN1CCC(CC1)F 34a_100015193889_200011214921 [0,1,0,1,0,0|2,0,0]=4 19603 B13R1.513 NC(=O)OCCN1CCC(CC1)O 269982a_100025773856_200011214921 [0,1,0,1,0,0|2,0,0]=4 19604 B13R1.530 CCC(C)CCNCC1CC(=O)C1 2230a_100020591266_100009874392 [0,1,0,1,0,0|2,0,0]=4 19605 B13R1.530 CCC(C)CCOCC1CC(=O)C1 7a_100011215188_100009874392 [0,1,0,1,0,0|2,0,0]=4 19606 B13R1.538 C=CC(=O)OCCOCC1CC1C 34a_100000744939_100009813456 [0,1,0,1,0,0|1,0,1]=4 19607 B13R1.538 C=CC(=O)OCCOCC1CC1C 7a_100000744939_100009813456 [0,1,0,1,0,0|1,0,1]=4 19608 B13R1.538 CNC(=O)CCCOCC1CC1C 34a_100000744939_100000741757 [0,1,0,1,0,0|2,0,0]=4 19609 B13R1.538 CNC(=O)CCCOCC1CC1C 7a_100000744939_100000741757 [0,1,0,1,0,0|2,0,0]=4 19610 B13R1.538 CNC(=O)OCCOCC1CC1C 34a_100000744939_200011997002 [0,1,0,1,0,0|1,0,0]=3 19611 B13R1.538 CNC(=O)OCCOCC1CC1C 7a_100000744939_200011997002 [0,1,0,1,0,0|1,0,0]=3 19612 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [0,1,0,1,0,0|2,0,0]=4 19613 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [0,1,0,1,0,0|2,0,0]=4 19614 B13R1.547 CCC(=O)C1CCCCN1C(=O)C 1458a_100000195068_100000210202 [0,1,0,1,0,0|1,0,1]=4 19615 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [0,1,0,1,0,0|1,0,0]=3 19616 B13R1.586 CC(=O)CCCCNCC1COC1 34a_100015281925_100009817362 [0,1,0,1,0,0|2,0,0]=4 19617 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,1,0,1,0,0|2,0,0]=4 19618 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [0,1,0,1,0,0|1,0,0]=3 19619 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,1,0,1,0,0|2,0,0]=4 19620 B13R1.586 CC(=O)CCCCOCC1CNC1 34a_100016987283_100009817362 [0,1,0,1,0,0|2,0,0]=4 19621 B13R1.586 CC(=O)CCCCOCC1COC1 34a_100000060846_100009817362 [0,1,0,1,0,0|2,0,0]=4 19622 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [0,1,0,1,0,0|1,0,0]=3 19623 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [0,1,0,1,0,0|1,0,0]=3 19624 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,1,0,1,0,0|2,0,0]=4 19625 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,1,0,1,0,0|2,0,0]=4 19626 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100000735457_100010264016 [0,1,0,1,0,0|2,0,0]=4 19627 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100010264016_100000735457 [0,1,0,1,0,0|2,0,0]=4 19628 B13R1.586 CC(=O)CCCOCCC1COC1 34a_100009855314_100000685027 [0,1,0,1,0,0|2,0,0]=4 19629 B13R1.586 CC(=O)NCCCCNC1CCC1 270004a_200011368371_100000241760 [0,1,0,1,0,0|1,0,0]=3 19630 B13R1.586 CC(=O)NCCCCNC1CCC1 34a_200011368371_100000749161 [0,1,0,1,0,0|1,0,0]=3 19631 B13R1.586 CC(=O)NCCCCNC1COC1 34a_200011368371_100009818527 [0,1,0,1,0,0|2,0,0]=4 19632 B13R1.586 CC(=O)NCCCNCC1CCC1 269862a_100000736810_100000753134 [0,1,0,1,0,0|1,0,0]=3 19633 B13R1.586 CC(=O)NCCCNCC1CCC1 34a_100000736810_100000763275 [0,1,0,1,0,0|1,0,0]=3 19634 B13R1.586 CC(=O)NCCCNCC1CCO1 34a_100000736810_100000103362 [0,1,0,1,0,0|2,0,0]=4 19635 B13R1.586 CC(=O)NCCCNCC1COC1 34a_100000736810_100010264016 [0,1,0,1,0,0|2,0,0]=4 19636 B13R1.586 CC(=O)NCCCOCC1CCC1 34a_100000752032_100000763275 [0,1,0,1,0,0|1,0,0]=3 19637 B13R1.586 CC(=O)NCCCOCC1CCO1 34a_100000752032_100000103362 [0,1,0,1,0,0|2,0,0]=4 19638 B13R1.586 CC(=O)NCCCOCC1COC1 34a_100000752032_100010264016 [0,1,0,1,0,0|2,0,0]=4 19639 B13R1.586 CC(=O)OCCCCCN1CCC1 269982a_100000754969_100000033007 [0,1,0,1,0,0|0,0,0]=2 19640 B13R1.586 CC(=O)OCCCCNC1CCC1 34a_100000749019_100000033659 [0,1,0,1,0,0|0,0,0]=2 19641 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000073216_100000749161 [0,1,0,1,0,0|0,0,0]=2 19642 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000748187_100000033659 [0,1,0,1,0,0|0,0,0]=2 19643 B13R1.586 CC(=O)OCCCCOC1COC1 34a_100000073216_100009818527 [0,1,0,1,0,0|1,0,0]=3 19644 B13R1.586 CC(=O)OCCCCOC1COC1 7a_100000073216_100009818527 [0,1,0,1,0,0|1,0,0]=3 19645 B13R1.586 CC(=O)OCCCCOC1CSC1 7a_100000072292_100000033659 [0,1,0,1,0,0|1,0,0]=3 19646 B13R1.586 CC(=O)OCCCCSC1CCC1 62a_100000033659_100000749161 [0,1,0,1,0,0|0,0,0]=2 19647 B13R1.586 CC(=O)OCCCCSC1COC1 62a_100000033659_100009818527 [0,1,0,1,0,0|1,0,0]=3 19648 B13R1.586 CC(=O)OCCCNCC1CCC1 34a_100000738700_100000042594 [0,1,0,1,0,0|0,0,0]=2 19649 B13R1.586 CC(=O)OCCCNCC1COC1 34a_100015281925_100000042594 [0,1,0,1,0,0|1,0,0]=3 19650 B13R1.586 CC(=O)OCCCNC[C@@H]1CCO1 34a_100020831831_100000042594 [0,1,0,1,0,0|1,0,0]=3 19651 B13R1.586 CC(=O)OCCCOCC1CCC1 34a_100000760304_100000042594 [0,1,0,1,0,0|0,0,0]=2 19652 B13R1.586 CC(=O)OCCCOCC1CCO1 34a_100000039022_100000042594 [0,1,0,1,0,0|1,0,0]=3 19653 B13R1.586 CC(=O)OCCCOCC1CNC1 34a_100016987283_100000042594 [0,1,0,1,0,0|1,0,0]=3 19654 B13R1.586 CC(=O)OCCCOCC1COC1 34a_100000060846_100000042594 [0,1,0,1,0,0|1,0,0]=3 19655 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000042594_100000763275 [0,1,0,1,0,0|0,0,0]=2 19656 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000763275_100000042594 [0,1,0,1,0,0|0,0,0]=2 19657 B13R1.586 CC(=O)OCCCSCC1CCO1 62a_100000042594_100000103362 [0,1,0,1,0,0|1,0,0]=3 19658 B13R1.586 CC(=O)OCCCSCC1CCO1 62a_100000103362_100000042594 [0,1,0,1,0,0|1,0,0]=3 19659 B13R1.586 CC(=O)OCCCSCC1COC1 62a_100000042594_100010264016 [0,1,0,1,0,0|1,0,0]=3 19660 B13R1.586 CC(=O)OCCCSCC1COC1 62a_100010264016_100000042594 [0,1,0,1,0,0|1,0,0]=3 19661 B13R1.586 CC(=O)OCCOCCC1COC1 34a_100009855314_100009814007 [0,1,0,1,0,0|1,0,0]=3 19662 B13R1.586 CC(=O)OCCOCCN1CCC1 269982a_100000754969_200000083610 [0,1,0,1,0,0|1,0,0]=3 19663 B13R1.586 CC(=O)OCCOCNC1CCC1 34a_100000749019_100000076355 [0,1,0,1,0,0|1,0,0]=3 19664 B13R1.586 CC(=O)OCCOCOC1CCC1 34a_100000748187_100000076355 [0,1,0,1,0,0|1,0,0]=3 19665 B13R1.586 CC(=O)OCCOCSC1CCC1 62a_100000076355_100000749161 [0,1,0,1,0,0|1,0,0]=3 19666 B13R1.586 CC(=O)OCCOCSC1COC1 62a_100000076355_100009818527 [0,1,0,1,0,0|2,0,0]=4 19667 B13R1.586 CC(=O)SCCCCNC1CCC1 2230a_100000749019_200010402107 [0,1,0,1,0,0|0,1,0]=3 19668 B13R1.586 CC(=O)SCCCCNC1CCC1 34a_100000749019_200010402107 [0,1,0,1,0,0|0,1,0]=3 19669 B13R1.586 CC(=O)SCCCCNC1COC1 2230a_100016991112_200010402107 [0,1,0,1,0,0|1,1,0]=4 19670 B13R1.586 CC(=O)SCCCCOC1CCC1 34a_100000748187_200010402107 [0,1,0,1,0,0|0,1,0]=3 19671 B13R1.586 CC(=O)SCCCCOC1CSC1 7a_100000072292_200010402107 [0,1,0,1,0,0|1,1,0]=4 19672 B13R1.586 CC(=O)SCCCCSC1CCC1 62a_200010402107_100000749161 [0,1,0,1,0,0|0,1,0]=3 19673 B13R1.586 CC(=O)SCCCCSC1COC1 62a_200010402107_100009818527 [0,1,0,1,0,0|1,1,0]=4 19674 B13R1.586 CC(=O)SCCCNCC1CCC1 2230a_100000738700_100000038929 [0,1,0,1,0,0|0,1,0]=3 19675 B13R1.586 CC(=O)SCCCNCC1CCC1 34a_100000738700_100000038929 [0,1,0,1,0,0|0,1,0]=3 19676 B13R1.586 CC(=O)SCCCNCC1COC1 2230a_100015281925_100000038929 [0,1,0,1,0,0|1,1,0]=4 19677 B13R1.586 CC(=O)SCCCNCC1COC1 34a_100015281925_100000038929 [0,1,0,1,0,0|1,1,0]=4 19678 B13R1.586 CC(=O)SCCCNC[C@@H]1CCO1 2230a_100020831831_100000038929 [0,1,0,1,0,0|1,1,0]=4 19679 B13R1.586 CC(=O)SCCCNC[C@@H]1CCO1 34a_100020831831_100000038929 [0,1,0,1,0,0|1,1,0]=4 19680 B13R1.586 CC(=O)SCCCOCC1CCC1 34a_100000760304_100000038929 [0,1,0,1,0,0|0,1,0]=3 19681 B13R1.586 CC(=O)SCCCOCC1CCO1 34a_100000039022_100000038929 [0,1,0,1,0,0|1,1,0]=4 19682 B13R1.586 CC(=O)SCCCOCC1CNC1 34a_100016987283_100000038929 [0,1,0,1,0,0|1,1,0]=4 19683 B13R1.586 CC(=O)SCCCOCC1COC1 34a_100000060846_100000038929 [0,1,0,1,0,0|1,1,0]=4 19684 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000038929_100000763275 [0,1,0,1,0,0|0,1,0]=3 19685 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000763275_100000038929 [0,1,0,1,0,0|0,1,0]=3 19686 B13R1.586 CC(=O)SCCCSCC1CCO1 62a_100000038929_100000103362 [0,1,0,1,0,0|1,1,0]=4 19687 B13R1.586 CC(=O)SCCCSCC1CCO1 62a_100000103362_100000038929 [0,1,0,1,0,0|1,1,0]=4 19688 B13R1.586 CC(=O)SCCCSCC1COC1 62a_100000038929_100010264016 [0,1,0,1,0,0|1,1,0]=4 19689 B13R1.586 CC(=O)SCCCSCC1COC1 62a_100010264016_100000038929 [0,1,0,1,0,0|1,1,0]=4 19690 B13R1.586 CC(=S)OCCCNCC1CCC1 2230a_100000738700_200135323944 [0,1,0,1,0,0|0,1,0]=3 19691 B13R1.586 CC(=S)OCCCNCC1CCC1 34a_100000738700_200135323944 [0,1,0,1,0,0|0,1,0]=3 19692 B13R1.586 CC(=S)OCCCNCC1COC1 2230a_100015281925_200135323944 [0,1,0,1,0,0|1,1,0]=4 19693 B13R1.586 CC(=S)OCCCNCC1COC1 34a_100015281925_200135323944 [0,1,0,1,0,0|1,1,0]=4 19694 B13R1.586 CC(=S)OCCCNC[C@@H]1CCO1 2230a_100020831831_200135323944 [0,1,0,1,0,0|1,1,0]=4 19695 B13R1.586 CC(=S)OCCCNC[C@@H]1CCO1 34a_100020831831_200135323944 [0,1,0,1,0,0|1,1,0]=4 19696 B13R1.586 CC(=S)OCCCOCC1CCC1 34a_100000760304_200135323944 [0,1,0,1,0,0|0,1,0]=3 19697 B13R1.586 CC(=S)OCCCOCC1CCO1 34a_100000039022_200135323944 [0,1,0,1,0,0|1,1,0]=4 19698 B13R1.586 CC(=S)OCCCOCC1CNC1 34a_100016987283_200135323944 [0,1,0,1,0,0|1,1,0]=4 19699 B13R1.586 CC(=S)OCCCOCC1COC1 34a_100000060846_200135323944 [0,1,0,1,0,0|1,1,0]=4 19700 B13R1.586 CC(=S)OCCCSCC1CCC1 62a_100000763275_200135323944 [0,1,0,1,0,0|0,1,0]=3 19701 B13R1.586 CC(=S)OCCCSCC1CCC1 62a_200135323944_100000763275 [0,1,0,1,0,0|0,1,0]=3 19702 B13R1.586 CC(=S)OCCCSCC1CCO1 62a_100000103362_200135323944 [0,1,0,1,0,0|1,1,0]=4 19703 B13R1.586 CC(=S)OCCCSCC1CCO1 62a_200135323944_100000103362 [0,1,0,1,0,0|1,1,0]=4 19704 B13R1.586 CC(=S)OCCCSCC1COC1 62a_100010264016_200135323944 [0,1,0,1,0,0|1,1,0]=4 19705 B13R1.586 CC(=S)OCCCSCC1COC1 62a_200135323944_100010264016 [0,1,0,1,0,0|1,1,0]=4 19706 B13R1.586 CC(C)OCCCNCC1CCC1 2230a_100000737246_100000763275 [0,1,0,1,0,0|1,0,1]=4 19707 B13R1.586 CC(C)OCCCNCC1CCC1 269862a_100000737246_100000753134 [0,1,0,1,0,0|1,0,1]=4 19708 B13R1.586 CC(C)OCCCNCC1CCC1 34a_100000737246_100000763275 [0,1,0,1,0,0|1,0,1]=4 19709 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [0,1,0,1,0,0|2,0,0]=4 19710 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [0,1,0,1,0,0|2,0,0]=4 19711 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [0,1,0,1,0,0|2,0,0]=4 19712 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [0,1,0,1,0,0|2,0,0]=4 19713 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [0,1,0,1,0,0|2,0,0]=4 19714 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [0,1,0,1,0,0|2,0,0]=4 19715 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [0,1,0,1,0,0|2,0,0]=4 19716 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [0,1,0,1,0,0|2,0,0]=4 19717 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [0,1,0,1,0,0|2,0,0]=4 19718 B13R1.586 NC(=O)COCCNCC1CCC1 2230a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 19719 B13R1.586 NC(=O)COCCNCC1CCC1 34a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 19720 B13R1.586 NC(=O)COCCOCC1CCC1 34a_100000760304_100000076697 [0,1,0,1,0,0|2,0,0]=4 19721 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000076697_100000763275 [0,1,0,1,0,0|2,0,0]=4 19722 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000763275_100000076697 [0,1,0,1,0,0|2,0,0]=4 19723 B13R1.586 NC(=O)OCCOCCC1COC1 34a_100009855314_200011214921 [0,1,0,1,0,0|2,0,0]=4 19724 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,1,0,1,0,0|2,0,0]=4 19725 B13R1.586 O=[N+]([O-])OCCCCNC1CCC1 34a_100000749019_100015694321 [0,1,0,1,0,0|2,0,0]=4 19726 B13R1.586 O=[N+]([O-])OCCCCOC1CCC1 34a_100000748187_100015694321 [0,1,0,1,0,0|2,0,0]=4 19727 B13R1.594 C=CC(=O)OCCNCCC1CC1 34a_100000764129_100009813456 [0,1,0,1,0,0|1,0,1]=4 19728 B13R1.594 C=CC(=O)OCCOCCC1CC1 34a_100000754188_100009813456 [0,1,0,1,0,0|1,0,1]=4 19729 B13R1.594 C=CC(=O)OCCOCCC1CC1 7a_100000754188_100009813456 [0,1,0,1,0,0|1,0,1]=4 19730 B13R1.594 C=CC(=O)OCCSCCC1CC1 62a_100000764125_100009813456 [0,1,0,1,0,0|1,0,1]=4 19731 B13R1.594 C=CC(=O)OCCSCCC1CC1 62a_100009813456_100000764125 [0,1,0,1,0,0|1,0,1]=4 19732 B13R1.594 CCC(=O)NCCNCCC1CC1 34a_100132302217_100000694398 [0,1,0,1,0,0|2,0,0]=4 19733 B13R1.594 CCC(=O)NCCOCCC1CC1 34a_200000158885_100000694398 [0,1,0,1,0,0|2,0,0]=4 19734 B13R1.594 CCC(=O)NCCOCCC1CC1 7a_200000158885_100000764125 [0,1,0,1,0,0|2,0,0]=4 19735 B13R1.594 CCC(=O)OCCOCCC1CC1 7a_200000031056_100000764125 [0,1,0,1,0,0|1,0,0]=3 19736 B13R1.594 CCC(=O)OCCOCCC1CO1 7a_200000031056_100000732470 [0,1,0,1,0,0|2,0,0]=4 19737 B13R1.594 CNC(=O)CCCNCCC1CC1 2230a_100000740002_100000694398 [0,1,0,1,0,0|2,0,0]=4 19738 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000740002_100000694398 [0,1,0,1,0,0|2,0,0]=4 19739 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000764129_100000741757 [0,1,0,1,0,0|2,0,0]=4 19740 B13R1.594 CNC(=O)CCCOCCC1CC1 34a_100000754188_100000741757 [0,1,0,1,0,0|2,0,0]=4 19741 B13R1.594 CNC(=O)CCCOCCC1CC1 7a_100000754188_100000741757 [0,1,0,1,0,0|2,0,0]=4 19742 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000741757_100000764125 [0,1,0,1,0,0|2,0,0]=4 19743 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000764125_100000741757 [0,1,0,1,0,0|2,0,0]=4 19744 B13R1.594 CNC(=O)NCCNCCC1CC1 34a_100015205895_100000694398 [0,1,0,1,0,0|2,0,0]=4 19745 B13R1.594 CNC(=O)OCCNCCC1CC1 34a_100000764129_200011997002 [0,1,0,1,0,0|1,0,0]=3 19746 B13R1.594 CNC(=O)OCCOCCC1CC1 34a_100000754188_200011997002 [0,1,0,1,0,0|1,0,0]=3 19747 B13R1.594 CNC(=O)OCCOCCC1CC1 7a_100000754188_200011997002 [0,1,0,1,0,0|1,0,0]=3 19748 B13R1.594 CNC(=O)OCCOCC[C@@H]1CO1 34a_100009820653_200011997002 [0,1,0,1,0,0|2,0,0]=4 19749 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_100000764125_200011997002 [0,1,0,1,0,0|1,0,0]=3 19750 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_200011997002_100000764125 [0,1,0,1,0,0|1,0,0]=3 19751 B13R1.594 CNC(=O)OCCSCCC1CO1 62a_100000732470_200011997002 [0,1,0,1,0,0|2,0,0]=4 19752 B13R1.594 CNC(=O)OCCSCCC1CO1 62a_200011997002_100000732470 [0,1,0,1,0,0|2,0,0]=4 19753 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [0,1,0,1,0,0|2,0,0]=4 19754 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [0,1,0,1,0,0|2,0,0]=4 19755 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [0,1,0,1,0,0|2,0,0]=4 19756 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [0,1,0,1,0,0|2,0,0]=4 19757 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [0,1,0,1,0,0|2,0,0]=4 19758 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [0,1,0,1,0,0|2,0,0]=4 19759 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [0,1,0,1,0,0|2,0,0]=4 19760 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [0,1,0,1,0,0|2,0,0]=4 19761 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [0,1,0,1,0,0|2,0,0]=4 19762 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [0,1,0,1,0,0|2,0,0]=4 19763 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [0,1,0,1,0,0|2,0,0]=4 19764 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [0,1,0,1,0,0|2,0,0]=4 19765 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [0,1,0,1,0,0|2,0,0]=4 19766 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [0,1,0,1,0,0|2,0,0]=4 19767 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [0,1,0,1,0,0|2,0,0]=4 19768 B13R1.594 COC(=O)NCCOCCC1CC1 34a_100000757965_100000694398 [0,1,0,1,0,0|2,0,0]=4 19769 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [0,1,0,1,0,0|1,0,0]=3 19770 B13R1.594 COC(=O)OCCOCCC1CO1 34a_100010262106_100000732470 [0,1,0,1,0,0|2,0,0]=4 19771 B13R1.594 COC(=O)OCSCCCC1CO1 62a_100000733510_100000139417 [0,1,0,1,0,0|2,0,0]=4 19772 B13R1.643 CC(=O)OCC1CCCN(C1)CF 269982a_100025751563_100015361967 [0,1,0,1,0,0|2,0,0]=4 19773 B13R1.643 CC(=O)OCN1CCCC(C1)CF 269982a_100016992999_100000076356 [0,1,0,1,0,0|2,0,0]=4 19774 B13R1.643 CC(=O)OCN1CCCC(C1)CF 34a_100016992999_100009813279 [0,1,0,1,0,0|2,0,0]=4 19775 B13R1.643 CC(=O)OCN1CCCC(C1)CO 269982a_100000211344_100000076356 [0,1,0,1,0,0|2,0,0]=4 19776 B13R1.643 CC(=O)OCN1CCCC(C1)CO 34a_100000211344_100009813279 [0,1,0,1,0,0|2,0,0]=4 19777 B13R1.643 CCC1CN(CCO1)COC(=O)C 269982a_100000736320_100000076356 [0,1,0,1,0,0|2,0,0]=4 19778 B13R1.643 CCC1CN(CCO1)COC(=O)C 34a_100000736320_100009813279 [0,1,0,1,0,0|2,0,0]=4 19779 B13R1.643 CCN1CCCC(C1)CNC(=O)C 1626a_100000747413_100015343762 [0,1,0,1,0,0|2,0,0]=4 19780 B13R1.643 CCN1CCCC(C1)CNC(=O)C 2230a_100011207013_100000210202 [0,1,0,1,0,0|2,0,0]=4 19781 B13R1.643 CCN1CCCC(C1)CNC(=O)C 240690a_100000747413_100015343762 [0,1,0,1,0,0|2,0,0]=4 19782 B13R1.643 CCN1CCCC(C1)CNC(=O)C 269982a_100011207013_100000204670 [0,1,0,1,0,0|2,0,0]=4 19783 B13R1.643 CCN1CCCC(C1)CNC(=O)C 34a_100011207013_100000210202 [0,1,0,1,0,0|2,0,0]=4 19784 B13R1.643 CCN1CCCC(C1)CNC(=O)C 527a_100000747413_100103153847 [0,1,0,1,0,0|2,0,0]=4 19785 B13R1.643 CCN1CCCC(C1)COC(=O)C 2230a_100025751563_100000210202 [0,1,0,1,0,0|1,0,0]=3 19786 B13R1.643 CCN1CCCC(C1)COC(=O)C 269982a_100025751563_100000204670 [0,1,0,1,0,0|1,0,0]=3 19787 B13R1.643 COC1CCCN(C1)COC(=O)C 269982a_100000695604_100000076356 [0,1,0,1,0,0|2,0,0]=4 19788 B13R1.643 COC1CCCN(C1)COC(=O)C 34a_100000695604_100009813279 [0,1,0,1,0,0|2,0,0]=4 19789 B13R1.717 CCC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000748023 [0,1,0,1,0,0|2,0,0]=4 19790 B13R1.717 CCC(C)CNCC1CNC(=O)C1 34a_100016993742_100000748023 [0,1,0,1,0,0|2,0,0]=4 19791 B13R1.717 CCC(C)CNC[C@H]1COC(=O)N1 2230a_100020588543_100015307671 [0,1,0,1,0,0|2,0,0]=4 19792 B13R1.717 CCC(C)COCC1CNC(=O)C1 34a_100016041077_100000748023 [0,1,0,1,0,0|2,0,0]=4 19793 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000073702_100000748023 [0,1,0,1,0,0|2,0,0]=4 19794 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000748023_100000073702 [0,1,0,1,0,0|2,0,0]=4 19795 B13R1.717 CCC(C)CSC[C@H]1COC(=O)N1 62a_100000748023_100015307671 [0,1,0,1,0,0|2,0,0]=4 19796 B13R1.717 CCC(C)CSC[C@H]1COC(=O)N1 62a_100015307671_100000748023 [0,1,0,1,0,0|2,0,0]=4 19797 B13R1.717 CCC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218378 [0,1,0,1,0,0|2,0,0]=4 19798 B13R1.717 CCC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218378 [0,1,0,1,0,0|2,0,0]=4 19799 B13R1.717 CCC(O)CNC[C@H]1COC(=O)N1 2230a_100011218483_100015307671 [0,1,0,1,0,0|2,0,0]=4 19800 B13R1.717 CCC(O)COCC1CNC(=O)C1 34a_100016041077_100011218378 [0,1,0,1,0,0|2,0,0]=4 19801 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100000073702_100011218378 [0,1,0,1,0,0|2,0,0]=4 19802 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100011218378_100000073702 [0,1,0,1,0,0|2,0,0]=4 19803 B13R1.717 CCC(O)CSC[C@H]1COC(=O)N1 62a_100011218378_100015307671 [0,1,0,1,0,0|2,0,0]=4 19804 B13R1.717 CCC(O)CSC[C@H]1COC(=O)N1 62a_100015307671_100011218378 [0,1,0,1,0,0|2,0,0]=4 19805 B13R1.717 CC[C@H](C)CNCC1CNC(=O)C1 2230a_100016993742_100009816398 [0,1,0,1,0,0|2,0,0]=4 19806 B13R1.717 CC[C@H](C)CNCC1CNC(=O)C1 34a_100016993742_100009816398 [0,1,0,1,0,0|2,0,0]=4 19807 B13R1.717 CC[C@H](C)COCC1CNC(=O)C1 34a_100016041077_100009816398 [0,1,0,1,0,0|2,0,0]=4 19808 B13R1.717 CC[C@H](C)COC[C@H]1COC(=O)N1 7a_100009816381_100015307671 [0,1,0,1,0,0|2,0,0]=4 19809 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100000073702_100009816398 [0,1,0,1,0,0|2,0,0]=4 19810 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100009816398_100000073702 [0,1,0,1,0,0|2,0,0]=4 19811 B13R1.717 CC[C@H](C)CSC[C@H]1COC(=O)N1 62a_100009816398_100015307671 [0,1,0,1,0,0|2,0,0]=4 19812 B13R1.717 CC[C@H](C)CSC[C@H]1COC(=O)N1 62a_100015307671_100009816398 [0,1,0,1,0,0|2,0,0]=4 19813 B13R1.785 CC(=O)CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000735457 [0,1,0,1,0,0|2,0,0]=4 19814 B13R1.785 CC(=O)OCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000042594 [0,1,0,1,0,0|1,0,0]=3 19815 B13R1.785 CC(=O)SCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000038929 [0,1,0,1,0,0|1,1,0]=4 19816 B13R1.785 CC(=O)SCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000038929 [0,1,0,1,0,0|1,1,0]=4 19817 B13R1.785 CC(=S)OCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_200135323944 [0,1,0,1,0,0|1,1,0]=4 19818 B13R1.785 CC(=S)OCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_200135323944 [0,1,0,1,0,0|1,1,0]=4 19819 B13R1.1067 CC(=O)CCCCOCC1(CC1)C 7a_100000698024_100000735457 [0,1,0,1,0,0|2,0,0]=4 19820 B13R1.1067 CC(=O)CCCCOCC1(CC1)F 34a_200000703853_100009817362 [0,1,0,1,0,0|2,0,0]=4 19821 B13R1.1067 CC(=O)CCCCOCC1(CC1)F 7a_200000703853_100000735457 [0,1,0,1,0,0|2,0,0]=4 19822 B13R1.1067 CC(=O)OCCCCOC1(CC1)C 7a_100011725673_100000033659 [0,1,0,1,0,0|1,0,0]=3 19823 B13R1.1067 CC(=O)OCCCOCC1(CC1)C 7a_100000698024_100000042594 [0,1,0,1,0,0|1,0,0]=3 19824 B13R1.1067 CC(=O)OCCCOCC1(CC1)F 34a_200000703853_100000042594 [0,1,0,1,0,0|1,0,0]=3 19825 B13R1.1067 CC(=O)OCCCOCC1(CC1)F 7a_200000703853_100000042594 [0,1,0,1,0,0|1,0,0]=3 19826 B13R1.1067 CC(=O)OCCCSCC1(CO1)C 62a_100000042594_100000760498 [0,1,0,1,0,0|2,0,0]=4 19827 B13R1.1067 CC(=O)OCCCSCC1(CO1)C 62a_100000760498_100000042594 [0,1,0,1,0,0|2,0,0]=4 19828 B13R1.1067 CC(=O)SCCCCNC1(CC1)C 2230a_100000757604_200010402107 [0,1,0,1,0,0|1,1,0]=4 19829 B13R1.1067 CC(=O)SCCCCOC1(CC1)C 7a_100011725673_200010402107 [0,1,0,1,0,0|1,1,0]=4 19830 B13R1.1067 CC(=O)SCCCNCC1(CC1)C 2230a_100000766693_100000038929 [0,1,0,1,0,0|1,1,0]=4 19831 B13R1.1067 CC(=O)SCCCNCC1(CC1)O 2230a_100011936951_100000038929 [0,1,0,1,0,0|1,1,0]=4 19832 B13R1.1067 CC(=O)SCCCOCC1(CC1)C 7a_100000698024_100000038929 [0,1,0,1,0,0|1,1,0]=4 19833 B13R1.1067 CC(=O)SCCCOCC1(CC1)F 34a_200000703853_100000038929 [0,1,0,1,0,0|1,1,0]=4 19834 B13R1.1067 CC(=O)SCCCOCC1(CC1)F 7a_200000703853_100000038929 [0,1,0,1,0,0|1,1,0]=4 19835 B13R1.1067 CC(=S)OCCCNCC1(CC1)C 2230a_100000766693_200135323944 [0,1,0,1,0,0|1,1,0]=4 19836 B13R1.1067 CC(=S)OCCCNCC1(CC1)O 2230a_100011936951_200135323944 [0,1,0,1,0,0|1,1,0]=4 19837 B13R1.1067 CC(=S)OCCCOCC1(CC1)C 7a_100000698024_200135323944 [0,1,0,1,0,0|1,1,0]=4 19838 B13R1.1067 CC(=S)OCCCOCC1(CC1)F 34a_200000703853_200135323944 [0,1,0,1,0,0|1,1,0]=4 19839 B13R1.1067 CC(=S)OCCCOCC1(CC1)F 7a_200000703853_200135323944 [0,1,0,1,0,0|1,1,0]=4 19840 B13R1.1868 CCC(C)CN1CCCNC(=O)C1 2230a_100015190381_100000748023 [0,1,0,1,0,0|2,0,0]=4 19841 B13R1.1868 CCC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000243153 [0,1,0,1,0,0|2,0,0]=4 19842 B13R1.1868 CCC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218378 [0,1,0,1,0,0|2,0,0]=4 19843 B13R1.1868 CC[C@H](C)CN1CCCNC(=O)C1 2230a_100015190381_100009816398 [0,1,0,1,0,0|2,0,0]=4 19844 B13R1.3127 CC(=O)OCN1CCC[C@@]1(C)CO 269982a_100016195882_100000076356 [0,1,0,1,0,0|2,0,0]=4 19845 B13R1.3127 CC(=O)OCN1CCC[C@@]1(C)CO 34a_100016195882_100009813279 [0,1,0,1,0,0|2,0,0]=4 19846 B13R1.3796 CC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000053229 [0,1,0,1,0,0|2,0,0]=4 19847 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000053229 [0,1,0,1,0,0|2,0,0]=4 19848 B13R1.3796 CC(=O)OCN1CCCC(CC1)C 269982a_100025706717_100000076356 [0,1,0,1,0,0|1,0,0]=3 19849 B13R1.3796 CC(=O)OCN1CCCC(CC1)C 34a_100025706717_100009813279 [0,1,0,1,0,0|1,0,0]=3 19850 B13R1.3796 CC(=O)OCN1CCCC(CC1)O 269982a_100015186869_100000076356 [0,1,0,1,0,0|1,0,0]=3 19851 B13R1.3796 CC(=O)OCN1CCCN(CC1)C 269982a_100000211313_100000076356 [0,1,0,1,0,0|2,0,0]=4 19852 B13R1.23 CCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210326 [0,1,0,1,0,0|1,0,1]=4 19853 B13R1.23 CCCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011218191 [0,1,0,1,0,0|2,0,0]=4 19854 B13R1.149 CC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100011215641 [0,1,0,1,0,0|2,0,0]=4 19855 B13R1.149 CC(=O)CCCN1CCCC(C1)F 34a_100000697950_100000685027 [0,1,0,1,0,0|2,0,0]=4 19856 B13R1.149 CC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100011215641 [0,1,0,1,0,0|2,0,0]=4 19857 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215641 [0,1,0,1,0,0|2,0,0]=4 19858 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100000685027 [0,1,0,1,0,0|2,0,0]=4 19859 B13R1.149 CC(=O)NCCC1CCCN(C1)C 240690a_100011919708_100015343762 [0,1,0,1,0,0|2,0,0]=4 19860 B13R1.149 CC(=O)NCCN1CCCC(C1)C 240690a_100000739826_100015343762 [0,1,0,1,0,0|2,0,0]=4 19861 B13R1.149 CC(=O)NCCN1CCCC(C1)C 527a_100000739826_100103153847 [0,1,0,1,0,0|2,0,0]=4 19862 B13R1.149 CC(=O)NCCN1CCCC(C1)F 2230a_100000697950_100000189650 [0,1,0,1,0,0|2,0,0]=4 19863 B13R1.149 CC(=O)NCCN1CCCC(C1)F 269982a_100000697950_100000189650 [0,1,0,1,0,0|2,0,0]=4 19864 B13R1.149 CC(=O)NCCN1CCCC(C1)O 2230a_100000211013_100000189650 [0,1,0,1,0,0|2,0,0]=4 19865 B13R1.149 CC(=O)NCCN1CCCC(C1)O 269982a_100000211013_100000189650 [0,1,0,1,0,0|2,0,0]=4 19866 B13R1.149 CC(=O)NCCN1CCC[C@@H](C1)C 2230a_100000717927_100000189650 [0,1,0,1,0,0|2,0,0]=4 19867 B13R1.149 CC(=O)NCCN1CCC[C@@H](C1)C 269982a_100000717927_100000189650 [0,1,0,1,0,0|2,0,0]=4 19868 B13R1.149 CC(=O)OCCN1CCCC(C1)F 269982a_100000697950_100009814007 [0,1,0,1,0,0|1,0,0]=3 19869 B13R1.149 CC(=O)OCCN1CCCC(C1)F 34a_100000697950_100009814007 [0,1,0,1,0,0|1,0,0]=3 19870 B13R1.149 CC(=O)OCCN1CCCC(C1)O 269982a_100000211013_100009814007 [0,1,0,1,0,0|1,0,0]=3 19871 B13R1.149 CC(=O)OCCN1CCC[C@@H](C1)C 269982a_100000717927_100009814007 [0,1,0,1,0,0|1,0,0]=3 19872 B13R1.149 CC(=O)OCCN1CCC[C@@H](C1)C 34a_100000717927_100009814007 [0,1,0,1,0,0|1,0,0]=3 19873 B13R1.149 CC(=O)OCCN1CCOC(C1)C 269982a_100000729577_100009814007 [0,1,0,1,0,0|2,0,0]=4 19874 B13R1.149 CC(=O)OCCN1CCOC(C1)C 34a_100000729577_100009814007 [0,1,0,1,0,0|2,0,0]=4 19875 B13R1.149 CC(=O)OCCN1CCOC(C1)O 269982a_100000688207_100009814007 [0,1,0,1,0,0|2,0,0]=4 19876 B13R1.149 CC(=O)OCNC1CCCC(C1)C 34a_100011194320_100009813279 [0,1,0,1,0,0|1,0,0]=3 19877 B13R1.149 CC(=O)OCOC1C=C(CCC1)C 34a_100011218613_100009813279 [0,1,0,1,0,0|1,0,1]=4 19878 B13R1.149 CC(=O)OCOC1CCCC(=O)C1 34a_100012613340_100009813279 [0,1,0,1,0,0|1,0,1]=4 19879 B13R1.149 CC(=O)OCOC1CCCC(C1)C 34a_100000211399_100009813279 [0,1,0,1,0,0|1,0,0]=3 19880 B13R1.149 CC(=O)OCOC1CCOC(C1)C 34a_100011986385_100009813279 [0,1,0,1,0,0|2,0,0]=4 19881 B13R1.149 CC(C)CCCN1CCNC(=O)C1 2230a_100000184651_100011214892 [0,1,0,1,0,0|2,0,0]=4 19882 B13R1.149 CC(C)CCCN1CCOC(=O)C1 2230a_100000131268_100011214892 [0,1,0,1,0,0|1,0,0]=3 19883 B13R1.149 CC(C)CCNC1CCNC(=O)C1 2230a_100016994916_100000210312 [0,1,0,1,0,0|2,0,0]=4 19884 B13R1.149 CC(C)CCNC1CCNC(=O)C1 269862a_100016994916_100000185833 [0,1,0,1,0,0|2,0,0]=4 19885 B13R1.149 CC(C)CCNC1CCNC(=O)C1 34a_100016994916_100000210312 [0,1,0,1,0,0|2,0,0]=4 19886 B13R1.149 CC(C)CCOC1CCCC(=O)C1 34a_100012613340_100000210312 [0,1,0,1,0,0|2,0,0]=4 19887 B13R1.149 CC(C)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210312 [0,1,0,1,0,0|2,0,0]=4 19888 B13R1.149 CC(C)COCC1CCNC(=O)C1 34a_100009886756_100000210624 [0,1,0,1,0,0|2,0,0]=4 19889 B13R1.149 CC(C)OCCN1CCOC(=O)C1 2230a_100000131268_100000211751 [0,1,0,1,0,0|2,0,0]=4 19890 B13R1.149 CC(C)SCCN1CCOC(=O)C1 2230a_100000131268_100000730970 [0,1,0,1,0,0|2,0,0]=4 19891 B13R1.149 CC(O)CCCN1CCNC(=O)C1 2230a_100000184651_200000718107 [0,1,0,1,0,0|2,0,0]=4 19892 B13R1.149 CC(O)CCCN1CCOC(=O)C1 2230a_100000131268_200000718107 [0,1,0,1,0,0|1,0,0]=3 19893 B13R1.149 CC(O)CCNC1CCNC(=O)C1 2230a_100016994916_100012276601 [0,1,0,1,0,0|2,0,0]=4 19894 B13R1.149 CC(O)CCNC1CCNC(=O)C1 34a_100016994916_100012276601 [0,1,0,1,0,0|2,0,0]=4 19895 B13R1.149 CC(O)CCOC1CCCC(=O)C1 34a_100012613340_100012276601 [0,1,0,1,0,0|2,0,0]=4 19896 B13R1.149 CC(O)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012276601 [0,1,0,1,0,0|2,0,0]=4 19897 B13R1.149 CC(O)COCC1CCNC(=O)C1 34a_100009886756_100011218427 [0,1,0,1,0,0|2,0,0]=4 19898 B13R1.149 C[C@@H](O)COCC1CCNC(=O)C1 34a_100009886756_100009817552 [0,1,0,1,0,0|2,0,0]=4 19899 B13R1.149 C[C@H]1CCCN(C1)CCOC(=O)N 269982a_100000717927_200011214921 [0,1,0,1,0,0|2,0,0]=4 19900 B13R1.149 C[C@H]1CCCN(C1)CCOC(=O)N 34a_100000717927_200011214921 [0,1,0,1,0,0|2,0,0]=4 19901 B13R1.149 NC(=O)OCCN1CCCC(C1)F 269982a_100000697950_200011214921 [0,1,0,1,0,0|2,0,0]=4 19902 B13R1.149 NC(=O)OCCN1CCCC(C1)F 34a_100000697950_200011214921 [0,1,0,1,0,0|2,0,0]=4 19903 B13R1.149 NC(=O)OCCN1CCCC(C1)O 269982a_100000211013_200011214921 [0,1,0,1,0,0|2,0,0]=4 19904 B13R1.232 CCOC1CN(C1)CCOC(=O)C 269982a_100000732654_100009814007 [0,1,0,1,0,0|2,0,0]=4 19905 B13R1.232 CCOC1CN(C1)CCOC(=O)C 34a_100000732654_100009814007 [0,1,0,1,0,0|2,0,0]=4 19906 B13R1.232 COCC1CN(C1)CCOC(=O)C 269982a_100016993750_100009814007 [0,1,0,1,0,0|2,0,0]=4 19907 B13R1.232 COCC1CN(C1)CCOC(=O)C 34a_100016993750_100009814007 [0,1,0,1,0,0|2,0,0]=4 19908 B13R1.342 CC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215641 [0,1,0,1,0,0|1,0,1]=4 19909 B13R1.342 CC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100011215641 [0,1,0,1,0,0|2,0,0]=4 19910 B13R1.342 CC(=O)CCCN(C)C1CCCC1 34a_100000207505_100000685027 [0,1,0,1,0,0|2,0,0]=4 19911 B13R1.342 CC(=O)CCOC(C)C1CCCC1 7a_100011216366_100000053229 [0,1,0,1,0,0|2,0,0]=4 19912 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000183196_100000179811 [0,1,0,1,0,0|1,0,1]=4 19913 B13R1.342 CC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_100000189650 [0,1,0,1,0,0|1,0,1]=4 19914 B13R1.342 CC(=O)NCCC(C)N1CCCC1 1626a_100011369354_100015343762 [0,1,0,1,0,0|2,0,0]=4 19915 B13R1.342 CC(=O)NCCC(C)N1CCCC1 240690a_100011369354_100015343762 [0,1,0,1,0,0|2,0,0]=4 19916 B13R1.342 CC(=O)NCCC(C)N1CCCC1 527a_100011369354_100103153847 [0,1,0,1,0,0|2,0,0]=4 19917 B13R1.342 CC(=O)NCCN(C)C1CCCC1 2230a_100000207505_100000189650 [0,1,0,1,0,0|2,0,0]=4 19918 B13R1.342 CC(=O)NCCN(C)C1CCCC1 269982a_100000207505_100000189650 [0,1,0,1,0,0|2,0,0]=4 19919 B13R1.342 CC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_100009814007 [0,1,0,1,0,0|0,0,1]=3 19920 B13R1.342 CC(=O)OCCC(=O)C1CCCS1 1458a_100012002731_100009814007 [0,1,0,1,0,0|1,0,1]=4 19921 B13R1.342 CC(=O)OCCC(=O)C1CCOC1 1458a_100011219752_100009814007 [0,1,0,1,0,0|1,0,1]=4 19922 B13R1.342 CC(=O)OCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100009814007 [0,1,0,1,0,0|1,0,1]=4 19923 B13R1.342 CC(=O)OCCN(C)C1CCCC1 269982a_100000207505_100009814007 [0,1,0,1,0,0|1,0,0]=3 19924 B13R1.342 CC(=O)OCCN(C)C1CCCC1 34a_100000207505_100009814007 [0,1,0,1,0,0|1,0,0]=3 19925 B13R1.342 CC(=O)OCCN(C)C1CCOC1 269982a_100016988252_100009814007 [0,1,0,1,0,0|2,0,0]=4 19926 B13R1.342 CC(=O)OCCN(C)C1CCOC1 34a_100016988252_100009814007 [0,1,0,1,0,0|2,0,0]=4 19927 B13R1.342 CC(=O)OCNC(C)C1CCCC1 34a_100015185923_100009813279 [0,1,0,1,0,0|1,0,0]=3 19928 B13R1.342 CC(=O)OCNC(C)C1CCCO1 34a_100025754208_100009813279 [0,1,0,1,0,0|2,0,0]=4 19929 B13R1.342 CC(=O)OCOC(C)C1CCCC1 34a_100011216366_100009813279 [0,1,0,1,0,0|1,0,0]=3 19930 B13R1.342 CC(=O)SCCC(=O)C1CCCC1 1458a_100000048949_100000179811 [0,1,0,1,0,0|0,1,1]=4 19931 B13R1.342 CN(CCOC(=O)N)C1CCCC1 269982a_100000207505_200011214921 [0,1,0,1,0,0|2,0,0]=4 19932 B13R1.342 CN(CCOC(=O)N)C1CCCC1 34a_100000207505_200011214921 [0,1,0,1,0,0|2,0,0]=4 19933 B13R1.342 NC(=O)OCCC(=O)C1CCCC1 1458a_100000210718_200011214921 [0,1,0,1,0,0|1,0,1]=4 19934 B13R1.658 CCCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210211 [0,1,0,1,0,0|2,0,0]=4 19935 B13R1.658 CCCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210211 [0,1,0,1,0,0|2,0,0]=4 19936 B13R1.658 CCCOCC1CCN(C1)C(=O)C 11a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 19937 B13R1.658 CCCOCC1CCN(C1)C(=O)C 1626a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 19938 B13R1.658 CCCOCC1CCN(C1)C(=O)C 240690a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 19939 B13R1.658 CCCOCC1CCN(C1)C(=O)C 527a_200011652792_100103153847 [0,1,0,1,0,0|2,0,0]=4 19940 B13R1.727 CCCCCC(=O)CC1CC(=O)C1 1458a_100000212188_100009874392 [0,1,0,1,0,0|1,0,1]=4 19941 B13R1.727 CCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218191 [0,1,0,1,0,0|2,0,0]=4 19942 B13R1.727 CCCCCN(C)CC1CC(=O)C1 2230a_100000223495_100009874392 [0,1,0,1,0,0|2,0,0]=4 19943 B13R1.727 CCCCCN(C)CC1CC(=O)C1 269982a_100000223495_100009874392 [0,1,0,1,0,0|2,0,0]=4 19944 B13R1.1047 CC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215641 [0,1,0,1,0,0|1,0,1]=4 19945 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100011215641 [0,1,0,1,0,0|2,0,0]=4 19946 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 34a_200000750244_100000685027 [0,1,0,1,0,0|2,0,0]=4 19947 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000183196_100000763275 [0,1,0,1,0,0|1,0,1]=4 19948 B13R1.1047 CC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_100000189650 [0,1,0,1,0,0|1,0,1]=4 19949 B13R1.1047 CC(=O)NCCN(C)CC1CCC1 2230a_200000750244_100000189650 [0,1,0,1,0,0|2,0,0]=4 19950 B13R1.1047 CC(=O)NCCN(C)CC1CCC1 269982a_200000750244_100000189650 [0,1,0,1,0,0|2,0,0]=4 19951 B13R1.1047 CC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_100009814007 [0,1,0,1,0,0|0,0,1]=3 19952 B13R1.1047 CC(=O)OCCC(=O)CC1COC1 1458a_100000687760_100009814007 [0,1,0,1,0,0|1,0,1]=4 19953 B13R1.1047 CC(=O)OCCN(C)CC1CCC1 269982a_200000750244_100009814007 [0,1,0,1,0,0|1,0,0]=3 19954 B13R1.1047 CC(=O)OCCN(C)CC1CCC1 34a_200000750244_100009814007 [0,1,0,1,0,0|1,0,0]=3 19955 B13R1.1047 CC(=O)SCCC(=O)CC1CCC1 1458a_100000048949_100000763275 [0,1,0,1,0,0|0,1,1]=4 19956 B13R1.1047 CN(CCOC(=O)N)CC1CCC1 269982a_200000750244_200011214921 [0,1,0,1,0,0|2,0,0]=4 19957 B13R1.1047 CN(CCOC(=O)N)CC1CCC1 34a_200000750244_200011214921 [0,1,0,1,0,0|2,0,0]=4 19958 B13R1.1047 NC(=O)OCCC(=O)CC1CCC1 1458a_100000763092_200011214921 [0,1,0,1,0,0|1,0,1]=4 19959 B13R1.1048 CC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215641 [0,1,0,1,0,0|1,0,1]=4 19960 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000183196_100000694398 [0,1,0,1,0,0|1,0,1]=4 19961 B13R1.1048 CC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_100000189650 [0,1,0,1,0,0|1,0,1]=4 19962 B13R1.1048 CC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_100009814007 [0,1,0,1,0,0|0,0,1]=3 19963 B13R1.1048 CC(=O)SCCC(=O)CCC1CC1 1458a_100000048949_100000694398 [0,1,0,1,0,0|0,1,1]=4 19964 B13R1.1048 NC(=O)OCCC(=O)CCC1CC1 1458a_100000756386_200011214921 [0,1,0,1,0,0|1,0,1]=4 19965 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,1,0,1,0,0|2,0,0]=4 19966 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,1,0,1,0,0|2,0,0]=4 19967 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 19968 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 19969 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 19970 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,1,0,1,0,0|2,0,0]=4 19971 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 19972 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,1,0,1,0,0|2,0,0]=4 19973 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,1,0,1,0,0|2,0,0]=4 19974 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 19975 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 19976 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,1,0,1,0,0|1,0,0]=3 19977 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,1,0,1,0,0|1,0,0]=3 19978 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,1,0,1,0,0|1,0,0]=3 19979 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,1,0,1,0,0|1,1,0]=4 19980 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,1,0,1,0,0|1,1,0]=4 19981 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,1,0,1,0,0|1,0,1]=4 19982 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,1,0,1,0,0|1,0,1]=4 19983 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,1,0,1,0,0|1,0,1]=4 19984 B13R1.1988 CC(=CCCN1CCCCCC1)C 2230a_100000185865_100011217483 [0,1,0,1,0,0|2,0,0]=4 19985 B13R1.1988 CC(=CCCN1CCCCCC1)C 269982a_100000185865_100011217483 [0,1,0,1,0,0|2,0,0]=4 19986 B13R1.1988 CC(=CCCN1CCCCCC1)C 34a_100000185865_100011217483 [0,1,0,1,0,0|2,0,0]=4 19987 B13R1.1988 CC(=CCNC1CCCCCC1)C 2230a_100000210984_100000761012 [0,1,0,1,0,0|2,0,0]=4 19988 B13R1.1988 CC(=CCNC1CCCCCC1)C 270004a_100000718196_100000210131 [0,1,0,1,0,0|2,0,0]=4 19989 B13R1.1988 CC(=CCNC1CCCCCC1)C 34a_100000210984_100000761012 [0,1,0,1,0,0|2,0,0]=4 19990 B13R1.1988 CC(=CCNC1CCCCCC1)C 34a_100000718196_100011217769 [0,1,0,1,0,0|2,0,0]=4 19991 B13R1.1988 CC(=CCOC1CCCCCC1)C 34a_100000210887_100000761012 [0,1,0,1,0,0|2,0,0]=4 19992 B13R1.1988 CC(=CCOC1CCCCCC1)C 34a_100000753907_100011217769 [0,1,0,1,0,0|2,0,0]=4 19993 B13R1.1988 CC(=CCOC1CCCCCC1)C 7a_100000210887_100000761012 [0,1,0,1,0,0|2,0,0]=4 19994 B13R1.1988 CC(=CCSC1CCCCCC1)C 62a_100000761012_100011217769 [0,1,0,1,0,0|2,0,0]=4 19995 B13R1.1988 CC(=CCSC1CCCCCC1)C 62a_100011217769_100000761012 [0,1,0,1,0,0|2,0,0]=4 19996 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,1,0,1,0,0|1,0,0]=3 19997 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,1,0,1,0,0|1,0,0]=3 19998 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [0,1,0,1,0,0|2,0,0]=4 19999 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [0,1,0,1,0,0|2,0,0]=4 20000 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,1,0,1,0,0|1,0,0]=3 20001 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,1,0,1,0,0|1,0,0]=3 20002 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,1,0,1,0,0|1,0,0]=3 20003 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,1,0,1,0,0|1,0,0]=3 20004 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,1,0,1,0,0|0,0,0]=2 20005 B13R1.1988 CC(=O)CON=C1CCCCCC1 1458a_100011946284_200000210301 [0,1,0,1,0,0|1,0,1]=4 20006 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 20007 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 20008 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 20009 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,1,0,1,0,0|1,0,0]=3 20010 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,1,0,1,0,0|1,0,0]=3 20011 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,1,0,1,0,0|1,0,0]=3 20012 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,1,0,1,0,0|1,0,0]=3 20013 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,1,0,1,0,0|1,0,0]=3 20014 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,1,0,1,0,0|1,0,0]=3 20015 B13R1.1988 CC(=O)NCCN1CCCOCC1 2230a_100000685342_100000189650 [0,1,0,1,0,0|2,0,0]=4 20016 B13R1.1988 CC(=O)NCCN1CCCOCC1 269982a_100000685342_100000189650 [0,1,0,1,0,0|2,0,0]=4 20017 B13R1.1988 CC(=O)NN=CC1CCCCCC1 4a_100000189765_200000763224 [0,1,0,1,0,0|1,0,1]=4 20018 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,1,0,1,0,0|0,0,0]=2 20019 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,1,0,1,0,0|0,0,0]=2 20020 B13R1.1988 CC(=O)OCCN1CCCOCC1 269982a_100000685342_100009814007 [0,1,0,1,0,0|1,0,0]=3 20021 B13R1.1988 CC(=O)OCCN1CCCOCC1 34a_100000685342_100009814007 [0,1,0,1,0,0|1,0,0]=3 20022 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,1,0,1,0,0|0,0,0]=2 20023 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,1,0,1,0,0|0,0,0]=2 20024 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,1,0,1,0,0|0,0,0]=2 20025 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,1,0,1,0,0|0,0,0]=2 20026 B13R1.1988 CC(Br)COCC1CCCCCC1 34a_100012180447_200000696569 [0,1,0,1,0,0|1,0,1]=4 20027 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000210257_200000696569 [0,1,0,1,0,0|1,0,1]=4 20028 B13R1.1988 CC(C)COCC1CCCCCC1 34a_100000699130_100000210624 [0,1,0,1,0,0|1,0,1]=4 20029 B13R1.1988 CC(C)COCC1CCCCCC1 7a_100000699130_100000210760 [0,1,0,1,0,0|1,0,1]=4 20030 B13R1.1988 CC(C)OCCN1CCCCCC1 2230a_100000185865_100000211751 [0,1,0,1,0,0|1,0,1]=4 20031 B13R1.1988 CC(C)OCCN1CCCCCC1 269982a_100000185865_100000211751 [0,1,0,1,0,0|1,0,1]=4 20032 B13R1.1988 CC(C)OCCN1CCCCCC1 34a_100000185865_100000211751 [0,1,0,1,0,0|1,0,1]=4 20033 B13R1.1988 CC(C)OCCN1CCCCCC1 34a_100000238007_100000210206 [0,1,0,1,0,0|1,0,1]=4 20034 B13R1.1988 CC(C)OCNC1CCCCCC1 2230a_100000210984_100000709892 [0,1,0,1,0,0|1,0,1]=4 20035 B13R1.1988 CC(C)OCNC1CCCCCC1 34a_100000210984_100000709892 [0,1,0,1,0,0|1,0,1]=4 20036 B13R1.1988 CC(C)OCOC1CCCCCC1 34a_100000210887_100000709892 [0,1,0,1,0,0|1,0,1]=4 20037 B13R1.1988 CC(C)OCSC1CCCCCC1 62a_100000709892_100011217769 [0,1,0,1,0,0|1,0,1]=4 20038 B13R1.1988 CC(C)OCSC1CCCCCC1 62a_100011217769_100000709892 [0,1,0,1,0,0|1,0,1]=4 20039 B13R1.1988 CC(F)COCC1CCCCCC1 34a_100015925927_200000696569 [0,1,0,1,0,0|1,0,1]=4 20040 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,1,0,1,0,0|0,0,2]=4 20041 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,1,0,1,0,0|0,0,2]=4 20042 B13R1.1988 C[C@@H](Cl)COCC1CCCCCC1 34a_100016084084_200000696569 [0,1,0,1,0,0|1,0,1]=4 20043 B13R1.1988 C[C@@H](N)COCC1CCCCCC1 34a_100000737577_200000696569 [0,1,0,1,0,0|1,0,1]=4 20044 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,1,0,1,0,0|0,0,2]=4 20045 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,1,0,1,0,0|0,0,2]=4 20046 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,1,0,1,0,0|2,0,0]=4 20047 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,1,0,1,0,0|2,0,0]=4 20048 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,1,0,1,0,0|2,0,0]=4 20049 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,1,0,1,0,0|2,0,0]=4 20050 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,1,0,1,0,0|2,0,0]=4 20051 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,1,0,1,0,0|2,0,0]=4 20052 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,1,0,1,0,0|2,0,0]=4 20053 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,1,0,1,0,0|2,0,0]=4 20054 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,1,0,1,0,0|2,0,0]=4 20055 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,1,0,1,0,0|2,0,0]=4 20056 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,1,0,1,0,0|2,0,0]=4 20057 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,1,0,1,0,0|2,0,0]=4 20058 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 20059 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 20060 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,1,0,1,0,0|1,1,0]=4 20061 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,1,0,1,0,0|1,1,0]=4 20062 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 20063 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 20064 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,1,0,1,0,0|1,0,0]=3 20065 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,1,0,1,0,0|1,0,0]=3 20066 B13R1.1988 NC(=O)OCCN1CCCOCC1 269982a_100000685342_200011214921 [0,1,0,1,0,0|2,0,0]=4 20067 B13R1.1988 NC(=O)OCCN1CCCOCC1 34a_100000685342_200011214921 [0,1,0,1,0,0|2,0,0]=4 20068 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|2,0,0]=4 20069 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,1,0,1,0,0|2,0,0]=4 20070 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,1,0,1,0,0|2,0,0]=4 20071 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,1,0,1,0,0|1,0,0]=3 20072 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,1,0,1,0,0|1,1,0]=4 20073 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,1,0,1,0,0|1,1,0]=4 20074 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,1,0,1,0,0|2,0,0]=4 20075 B13R1.1988 [13CH3]C(=O)CON=C1CCCCCC1 1458a_100011946284_200025704644 [0,1,0,1,0,0|1,0,1]=4 20076 B13R1.2294 CCC1CC1C(=O)CCCC(=O)C 1458a_200011661523_100011215641 [0,1,0,1,0,0|1,0,1]=4 20077 B13R1.2294 CCC1CC1C(=O)CCNC(=O)C 1458a_200011661523_100000189650 [0,1,0,1,0,0|1,0,1]=4 20078 B13R1.2294 CCC1CC1C(=O)CCOC(=O)C 1458a_200011661523_100009814007 [0,1,0,1,0,0|0,0,1]=3 20079 B13R1.2294 CCC1CC1C(=O)CCOC(=O)N 1458a_200011661523_200011214921 [0,1,0,1,0,0|1,0,1]=4 20080 B13R1.3566 CC(=O)OCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100009813279 [0,1,0,1,0,0|2,0,0]=4 20081 B13R1.3787 CC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100000053229 [0,1,0,1,0,0|2,0,0]=4 20082 B13R1.3787 CC(=O)OCN1C(CCCC1C)C 269982a_100000210447_100000076356 [0,1,0,1,0,0|1,0,0]=3 20083 B13R1.3787 CC(=O)OCN1C(CCCC1C)C 34a_100000210447_100009813279 [0,1,0,1,0,0|1,0,0]=3 20084 B13R1.3787 CC(=O)OCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000076356 [0,1,0,1,0,0|2,0,0]=4 20085 B13R1.3787 CC(=O)OCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100009813279 [0,1,0,1,0,0|2,0,0]=4 20086 B13R1.5134 CC(=O)CCOC1(CCCCC1)C 7a_100011215885_100000053229 [0,1,0,1,0,0|2,0,0]=4 20087 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 11a_100102740465_100015343762 [0,1,0,1,0,0|1,0,0]=3 20088 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100015343762 [0,1,0,1,0,0|1,0,0]=3 20089 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100015343762 [0,1,0,1,0,0|1,0,0]=3 20090 B13R1.5134 CC(=O)NCCC1(CCCCC1)O 527a_100102740465_100103153847 [0,1,0,1,0,0|1,0,0]=3 20091 B13R1.5134 CC(=O)OCNC1(CCCCC1)C 34a_100000741114_100009813279 [0,1,0,1,0,0|1,0,0]=3 20092 B13R1.5134 CC(=O)OCNC1(CCOCC1)C 34a_100000692449_100009813279 [0,1,0,1,0,0|2,0,0]=4 20093 B13R1.5134 CC(=O)OCOC1(CCCCC1)C 34a_100011215885_100009813279 [0,1,0,1,0,0|1,0,0]=3 20094 B13R1.5134 CC(=O)OCOC1(CCOCC1)C 34a_100011827762_100009813279 [0,1,0,1,0,0|2,0,0]=4 20095 B13R1.5134 CC(=O)OCOC1(CCSCC1)C 34a_200011004327_100009813279 [0,1,0,1,0,0|2,0,0]=4 20096 B13R1.6 C#CCCCCN1CCOC(=O)C1 2230a_100000131268_100010269958 [0,1,0,1,0,0|0,0,2]=4 20097 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [0,1,0,1,0,0|0,0,2]=4 20098 B13R1.6 CC/C=C\CCN1CCOC(=O)C1 2230a_100000131268_100015370543 [0,1,0,1,0,0|0,0,2]=4 20099 B13R1.6 CCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210314 [0,1,0,1,0,0|2,0,0]=4 20100 B13R1.6 CCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210757 [0,1,0,1,0,0|2,0,0]=4 20101 B13R1.6 CCCCCCN1CCC=C(C1)C 34a_100000725631_100000210314 [0,1,0,1,0,0|2,0,0]=4 20102 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,1,0,0|1,0,0]=3 20103 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|0,0,0]=2 20104 B13R1.6 CCCCCCN1CCOC(C1)C 2230a_100000729577_100000210314 [0,1,0,1,0,0|1,0,1]=4 20105 B13R1.6 CCCCCCN1CCOC(C1)C 269982a_100000729577_100000210757 [0,1,0,1,0,0|1,0,1]=4 20106 B13R1.6 CCCCCCN1CCOC(C1)C 34a_100000729577_100000210314 [0,1,0,1,0,0|1,0,1]=4 20107 B13R1.6 CCCCCCN1CCOC(C1)O 2230a_100000688207_100000210314 [0,1,0,1,0,0|0,0,2]=4 20108 B13R1.6 CCCCCCN1CCOC(C1)O 269982a_100000688207_100000210757 [0,1,0,1,0,0|0,0,2]=4 20109 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,1,0,0|1,0,0]=3 20110 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,1,0,0|1,0,0]=3 20111 B13R1.6 CCCCCNC1CCOC(C1)C 270004a_100000209983_100000755752 [0,1,0,1,0,0|1,0,1]=4 20112 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,1,0,1,0,0|2,0,0]=4 20113 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,1,0,0|1,0,0]=3 20114 B13R1.6 CCCCCOC1CCOC(C1)C 34a_100011986385_100000718602 [0,1,0,1,0,0|1,0,1]=4 20115 B13R1.6 CCCCCOC1CCOC(C1)C 7a_100011986385_100000210326 [0,1,0,1,0,0|1,0,1]=4 20116 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,1,0,0|1,0,0]=3 20117 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,1,0,1,0,0|2,0,0]=4 20118 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,1,0,0|1,0,0]=3 20119 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,1,0,1,0,0|2,0,0]=4 20120 B13R1.6 CCCCOCN1CCNC(=O)C1 2230a_100000184651_100011995733 [0,1,0,1,0,0|2,0,0]=4 20121 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,1,0,1,0,0|1,0,0]=3 20122 B13R1.6 CCCOCCN1CCNC(=O)C1 2230a_100000184651_100011215938 [0,1,0,1,0,0|2,0,0]=4 20123 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,1,0,1,0,0|1,0,0]=3 20124 B13R1.6 CCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210202 [0,1,0,1,0,0|2,0,0]=4 20125 B13R1.6 CCOCCCN1CCNC(=O)C1 2230a_100000184651_100012232248 [0,1,0,1,0,0|2,0,0]=4 20126 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,1,0,1,0,0|1,0,0]=3 20127 B13R1.6 CCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215890 [0,1,0,1,0,0|2,0,0]=4 20128 B13R1.6 CCOCCNC1CCNC(=O)C1 34a_100016994916_100000210147 [0,1,0,1,0,0|2,0,0]=4 20129 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,1,0,1,0,0|2,0,0]=4 20130 B13R1.6 CCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210147 [0,1,0,1,0,0|2,0,0]=4 20131 B13R1.6 CCSCCNC1CCNC(=O)C1 2230a_100016994916_100000757381 [0,1,0,1,0,0|2,0,0]=4 20132 B13R1.6 CCSCCNC1CCNC(=O)C1 34a_100016994916_100000757381 [0,1,0,1,0,0|2,0,0]=4 20133 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,1,0,1,0,0|2,0,0]=4 20134 B13R1.6 CCSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757381 [0,1,0,1,0,0|2,0,0]=4 20135 B13R1.6 COCCCCN1CCNC(=O)C1 2230a_100000184651_100000730899 [0,1,0,1,0,0|2,0,0]=4 20136 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,1,0,1,0,0|1,0,0]=3 20137 B13R1.6 COCCCNC1CCNC(=O)C1 2230a_100016994916_100000740836 [0,1,0,1,0,0|2,0,0]=4 20138 B13R1.6 COCCCNC1CCNC(=O)C1 34a_100016994916_100000740836 [0,1,0,1,0,0|2,0,0]=4 20139 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,1,0,1,0,0|2,0,0]=4 20140 B13R1.6 COCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000740836 [0,1,0,1,0,0|2,0,0]=4 20141 B13R1.6 COCCOCC1CCNC(=O)C1 34a_100009886756_100011201679 [0,1,0,1,0,0|2,0,0]=4 20142 B13R1.6 COCCOCN1CCOC(=O)C1 2230a_100000131268_100000231047 [0,1,0,1,0,0|2,0,0]=4 20143 B13R1.6 CSCCOCC1CCNC(=O)C1 34a_100009886756_100000212216 [0,1,0,1,0,0|2,0,0]=4 20144 B13R1.6 N#CCCCCN1CCOC(=O)C1 2230a_100000131268_100000211819 [0,1,0,1,0,0|1,0,1]=4 20145 B13R1.6 O=C1CC(CCN1)COCCCF 34a_100009886756_100011934791 [0,1,0,1,0,0|2,0,0]=4 20146 B13R1.6 O=C1CC(CCN1)COCCCO 34a_100009886756_100000230001 [0,1,0,1,0,0|2,0,0]=4 20147 B13R1.6 O=C1CC(CCN1)NCCCCF 2230a_100016994916_100000729493 [0,1,0,1,0,0|2,0,0]=4 20148 B13R1.6 O=C1CC(CCN1)NCCCCF 34a_100016994916_100000729493 [0,1,0,1,0,0|2,0,0]=4 20149 B13R1.6 O=C1CC(CCN1)NCCCCO 2230a_100016994916_100000210776 [0,1,0,1,0,0|2,0,0]=4 20150 B13R1.6 O=C1CC(CCN1)NCCCCO 34a_100016994916_100011216708 [0,1,0,1,0,0|2,0,0]=4 20151 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,1,0,1,0,0|2,0,0]=4 20152 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|2,0,0]=4 20153 B13R1.6 O=C1CN(CCN1)CCCCCF 2230a_100000184651_100000729378 [0,1,0,1,0,0|2,0,0]=4 20154 B13R1.6 O=C1CN(CCN1)CCCCCO 2230a_100000184651_100000746330 [0,1,0,1,0,0|2,0,0]=4 20155 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,1,0,1,0,0|1,0,0]=3 20156 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,1,0,1,0,0|1,0,0]=3 20157 B13R1.6 O=C1CN(CCO1)CCOCCO 2230a_100000131268_100011215305 [0,1,0,1,0,0|2,0,0]=4 20158 B13R1.6 O=C1C[C@@H](CCN1)OCCCCF 34a_100015189427_100000729493 [0,1,0,1,0,0|2,0,0]=4 20159 B13R1.6 O=C1C[C@@H](CCN1)OCCCCO 34a_100015189427_100011216708 [0,1,0,1,0,0|2,0,0]=4 20160 B13R1.6 O=CCCCCN1CCOC(=O)C1 2230a_100000131268_100000139335 [0,1,0,1,0,0|1,0,1]=4 20161 B13R1.90 C#CC1CCCCN1COC(=O)C 269982a_200020621307_100000076356 [0,1,0,1,0,0|0,0,2]=4 20162 B13R1.90 C#CC1CCCCN1COC(=O)C 34a_200020621307_100009813279 [0,1,0,1,0,0|0,0,2]=4 20163 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 20164 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 20165 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 20166 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,1,0,1,0,0|1,0,0]=3 20167 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,1,0,1,0,0|1,0,0]=3 20168 B13R1.90 C=C(C)COC1CCCCC1CN 34a_100011216029_100000748629 [0,1,0,1,0,0|2,0,0]=4 20169 B13R1.90 C=C(C)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000748629 [0,1,0,1,0,0|2,0,0]=4 20170 B13R1.90 C=C(C)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000748629 [0,1,0,1,0,0|2,0,0]=4 20171 B13R1.90 C=C(C)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000748629 [0,1,0,1,0,0|2,0,0]=4 20172 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,1,0,1,0,0|1,0,1]=4 20173 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,1,0,1,0,0|1,0,1]=4 20174 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,1,0,1,0,0|2,0,0]=4 20175 B13R1.90 CC(=O)OCN1CCCCC1C#N 34a_100016989756_100009813279 [0,1,0,1,0,0|1,0,1]=4 20176 B13R1.90 CC(=O)OCN1CCCCC1CO 269982a_100000210821_100000076356 [0,1,0,1,0,0|1,0,0]=3 20177 B13R1.90 CC(=O)OCN1CCCCC1CO 34a_100000210821_100009813279 [0,1,0,1,0,0|1,0,0]=3 20178 B13R1.90 CC(=O)OCN1CCOC[C@H]1CO 269982a_100000717676_100000076356 [0,1,0,1,0,0|2,0,0]=4 20179 B13R1.90 CC(=O)OCN1CCOC[C@H]1CO 34a_100000717676_100009813279 [0,1,0,1,0,0|2,0,0]=4 20180 B13R1.90 CCC1CCCCC1=NNC(=O)C 4a_100000189765_100000757040 [0,1,0,1,0,0|1,0,1]=4 20181 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 20182 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 20183 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,1,0,1,0,0|1,0,0]=3 20184 B13R1.90 CCC1CCCCC1OCC(C)C 34a_100000210738_100000210624 [0,1,0,1,0,0|1,0,1]=4 20185 B13R1.90 CCC1CCCCC1OCC(C)C 7a_100000210738_100000210760 [0,1,0,1,0,0|1,0,1]=4 20186 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,1,0,1,0,0|0,0,2]=4 20187 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,1,0,1,0,0|0,0,2]=4 20188 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,1,0,1,0,0|0,0,2]=4 20189 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,1,0,1,0,0|0,0,2]=4 20190 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 34a_100000210738_100000761209 [0,1,0,1,0,0|2,0,0]=4 20191 B13R1.90 CCC1CCCCN1CC=C(C)C 2230a_100000210034_100000761012 [0,1,0,1,0,0|2,0,0]=4 20192 B13R1.90 CCC1CCCCN1CC=C(C)C 269982a_100000210034_100000761012 [0,1,0,1,0,0|2,0,0]=4 20193 B13R1.90 CCC1CCCCN1CC=C(C)C 34a_100000210034_100000761012 [0,1,0,1,0,0|2,0,0]=4 20194 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,1,0,1,0,0|1,0,0]=3 20195 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,1,0,1,0,0|2,0,0]=4 20196 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,1,0,1,0,0|2,0,0]=4 20197 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,1,0,1,0,0|2,0,0]=4 20198 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [0,1,0,1,0,0|0,0,0]=2 20199 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [0,1,0,1,0,0|0,0,0]=2 20200 B13R1.90 CCC1CCCCN1COC(C)C 2230a_100000210034_100000709892 [0,1,0,1,0,0|1,0,1]=4 20201 B13R1.90 CCC1CCCCN1COC(C)C 269982a_100000210034_100000709892 [0,1,0,1,0,0|1,0,1]=4 20202 B13R1.90 CCC1CCCCN1COC(C)C 34a_100000210034_100000709892 [0,1,0,1,0,0|1,0,1]=4 20203 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|2,0,0]=4 20204 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [0,1,0,1,0,0|1,0,0]=3 20205 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [0,1,0,1,0,0|1,0,0]=3 20206 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [0,1,0,1,0,0|1,0,0]=3 20207 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [0,1,0,1,0,0|1,0,0]=3 20208 B13R1.90 CCN1CCCCC1COC(C)C 34a_100000225091_100000210206 [0,1,0,1,0,0|1,0,1]=4 20209 B13R1.90 CCN1CCCCC1COC(C)C 7a_100000225091_100000210206 [0,1,0,1,0,0|1,0,1]=4 20210 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [0,1,0,1,0,0|2,0,0]=4 20211 B13R1.90 CC[C@H]1COCCN1COC(=O)C 269982a_100016988097_100000076356 [0,1,0,1,0,0|1,0,0]=3 20212 B13R1.90 CC[C@H]1COCCN1COC(=O)C 34a_100016988097_100009813279 [0,1,0,1,0,0|1,0,0]=3 20213 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,1,0,1,0,0|2,0,0]=4 20214 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,1,0,1,0,0|2,0,0]=4 20215 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 20216 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 20217 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,1,0,1,0,0|2,0,0]=4 20218 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 20219 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,1,0,1,0,0|2,0,0]=4 20220 B13R1.103 C=C(C)COC[C@H]1CCCN1CC 34a_100011739246_100000748629 [0,1,0,1,0,0|2,0,0]=4 20221 B13R1.103 C=C(C)COC[C@H]1CCCN1CC 7a_100011739246_100000748629 [0,1,0,1,0,0|2,0,0]=4 20222 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,1,0,1,0,0|2,0,0]=4 20223 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,1,0,1,0,0|2,0,0]=4 20224 B13R1.103 CC(=O)NCCN1CCC[C@@H]1CO 2230a_100000745186_100000189650 [0,1,0,1,0,0|2,0,0]=4 20225 B13R1.103 CC(=O)NCCN1CCC[C@@H]1CO 269982a_100000745186_100000189650 [0,1,0,1,0,0|2,0,0]=4 20226 B13R1.103 CC(=O)OCCN1CCC[C@@H]1C#N 269982a_106645074975_100009814007 [0,1,0,1,0,0|1,0,1]=4 20227 B13R1.103 CC(=O)OCCN1CCC[C@@H]1CO 269982a_100000745186_100009814007 [0,1,0,1,0,0|1,0,0]=3 20228 B13R1.103 CC(=O)OCCN1CCC[C@@H]1CO 34a_100000745186_100009814007 [0,1,0,1,0,0|1,0,0]=3 20229 B13R1.103 CC(=O)OCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100009813279 [0,1,0,1,0,0|1,0,1]=4 20230 B13R1.103 CCC1C=CCN1CCOC(=O)C 269982a_100000730860_100009814007 [0,1,0,1,0,0|0,0,2]=4 20231 B13R1.103 CCC1C=CCN1CCOC(=O)C 34a_100000730860_100009814007 [0,1,0,1,0,0|0,0,2]=4 20232 B13R1.103 CCC1CCCC1NCC=C(C)C 270004a_100000718196_100000749056 [0,1,0,1,0,0|2,0,0]=4 20233 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [0,1,0,1,0,0|2,0,0]=4 20234 B13R1.103 CCC1CCCN1CCC=C(C)C 2230a_100000754278_100011217483 [0,1,0,1,0,0|2,0,0]=4 20235 B13R1.103 CCC1CCCN1CCC=C(C)C 269982a_100000754278_100011217483 [0,1,0,1,0,0|2,0,0]=4 20236 B13R1.103 CCC1CCCN1CCC=C(C)C 34a_100000754278_100011217483 [0,1,0,1,0,0|2,0,0]=4 20237 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [0,1,0,1,0,0|1,0,0]=3 20238 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [0,1,0,1,0,0|1,0,0]=3 20239 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [0,1,0,1,0,0|2,0,0]=4 20240 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [0,1,0,1,0,0|2,0,0]=4 20241 B13R1.103 CCC1CCCN1CCNC(=O)C 2230a_100000754278_100000189650 [0,1,0,1,0,0|1,0,0]=3 20242 B13R1.103 CCC1CCCN1CCNC(=O)C 269982a_100000754278_100000189650 [0,1,0,1,0,0|1,0,0]=3 20243 B13R1.103 CCC1CCCN1CCNC(=O)N 2230a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 20244 B13R1.103 CCC1CCCN1CCNC(=O)N 269982a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 20245 B13R1.103 CCC1CCCN1CCOC(=O)C 269982a_100000754278_100009814007 [0,1,0,1,0,0|0,0,0]=2 20246 B13R1.103 CCC1CCCN1CCOC(=O)C 34a_100000754278_100009814007 [0,1,0,1,0,0|0,0,0]=2 20247 B13R1.103 CCC1CCCN1CCOC(=O)N 269982a_100000754278_200011214921 [0,1,0,1,0,0|1,0,0]=3 20248 B13R1.103 CCC1CCCN1CCOC(=O)N 34a_100000754278_200011214921 [0,1,0,1,0,0|1,0,0]=3 20249 B13R1.103 CCC1CCCN1CCOC(C)C 2230a_100000754278_100000211751 [0,1,0,1,0,0|1,0,1]=4 20250 B13R1.103 CCC1CCCN1CCOC(C)C 269982a_100000754278_100000211751 [0,1,0,1,0,0|1,0,1]=4 20251 B13R1.103 CCC1CCCN1CCOC(C)C 34a_100000754278_100000211751 [0,1,0,1,0,0|1,0,1]=4 20252 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 34a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 20253 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 7a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 20254 B13R1.103 CCN1CCC[C@@H]1COCC(=O)[O-] 34a_100011739246_100020667443 [0,1,0,1,0,0|2,0,0]=4 20255 B13R1.103 NC(=O)OCCN1CCC[C@@H]1CO 269982a_100000745186_200011214921 [0,1,0,1,0,0|2,0,0]=4 20256 B13R1.103 NC(=O)OCCN1CCC[C@@H]1CO 34a_100000745186_200011214921 [0,1,0,1,0,0|2,0,0]=4 20257 B13R1.167 C=C(C)COCCC1CCCN1C 34a_100000210245_100000005710 [0,1,0,1,0,0|2,0,0]=4 20258 B13R1.167 C=C(C)COCCC1CCCN1C 34a_100011215177_100000748629 [0,1,0,1,0,0|2,0,0]=4 20259 B13R1.167 C=C(C)COCCC1CCCN1C 7a_100011215177_100000748629 [0,1,0,1,0,0|2,0,0]=4 20260 B13R1.167 CC(=CCCOC1CCCC1C)C 34a_100011216460_100011217483 [0,1,0,1,0,0|2,0,0]=4 20261 B13R1.167 CC(=CCCOC1CCCC1C)C 7a_100011216460_100011217483 [0,1,0,1,0,0|2,0,0]=4 20262 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [0,1,0,1,0,0|1,0,0]=3 20263 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [0,1,0,1,0,0|1,0,0]=3 20264 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [0,1,0,1,0,0|1,0,0]=3 20265 B13R1.167 CC(=O)CCCCN1CCSC1C 269982a_200011216479_100000735457 [0,1,0,1,0,0|2,0,0]=4 20266 B13R1.167 CC(=O)CCCCN1CCSC1C 34a_200011216479_100009817362 [0,1,0,1,0,0|2,0,0]=4 20267 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [0,1,0,1,0,0|1,0,0]=3 20268 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [0,1,0,1,0,0|1,0,0]=3 20269 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000685027 [0,1,0,1,0,0|2,0,0]=4 20270 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000685027 [0,1,0,1,0,0|2,0,0]=4 20271 B13R1.167 CC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000685027 [0,1,0,1,0,0|2,0,0]=4 20272 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,1,0,1,0,0|2,0,0]=4 20273 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,1,0,1,0,0|2,0,0]=4 20274 B13R1.167 CC(=O)COCCC1CCCN1C 34a_100000211253_100000005710 [0,1,0,1,0,0|1,0,0]=3 20275 B13R1.167 CC(=O)NCCNC1CCCC1C 269862a_100000209853_100000752053 [0,1,0,1,0,0|1,0,0]=3 20276 B13R1.167 CC(=O)NCCOC1CCCC1C 7a_100011216460_100000189650 [0,1,0,1,0,0|1,0,0]=3 20277 B13R1.167 CC(=O)NCCS[C@@H]1CCC[C@H]1O 62a_100000189650_200016002552 [0,1,0,1,0,0|2,0,0]=4 20278 B13R1.167 CC(=O)NCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000189650 [0,1,0,1,0,0|2,0,0]=4 20279 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 269982a_100020605311_100000042594 [0,1,0,1,0,0|0,0,0]=2 20280 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 269982a_100015189458_100000042594 [0,1,0,1,0,0|0,0,0]=2 20281 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 34a_100015189458_100000042594 [0,1,0,1,0,0|0,0,0]=2 20282 B13R1.167 CC(=O)OCCCN1CCSC1C 269982a_200011216479_100000042594 [0,1,0,1,0,0|1,0,0]=3 20283 B13R1.167 CC(=O)OCCCN1CCSC1C 34a_200011216479_100000042594 [0,1,0,1,0,0|1,0,0]=3 20284 B13R1.167 CC(=O)OCCOC1CCCC1=O 34a_200000719330_100009814007 [0,1,0,1,0,0|1,0,1]=4 20285 B13R1.167 CC(=O)OCCOC1CCCC1C 34a_100011216460_100009814007 [0,1,0,1,0,0|0,0,0]=2 20286 B13R1.167 CC(=O)OCCOC1CCCC1C 7a_100011216460_100009814007 [0,1,0,1,0,0|0,0,0]=2 20287 B13R1.167 CC(=O)OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009814007 [0,1,0,1,0,0|1,0,0]=3 20288 B13R1.167 CC(=O)OCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009814007 [0,1,0,1,0,0|1,0,0]=3 20289 B13R1.167 CC(=O)OCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009814007 [0,1,0,1,0,0|1,0,0]=3 20290 B13R1.167 CC(=O)OCCO[C@H]1COC[C@@H]1N 34a_100015191717_100009814007 [0,1,0,1,0,0|2,0,0]=4 20291 B13R1.167 CC(=O)OCCSC1CCCC1=O 62a_100000211823_100009814007 [0,1,0,1,0,0|1,0,1]=4 20292 B13R1.167 CC(=O)OCCSC1CCCC1=O 62a_100009814007_100000211823 [0,1,0,1,0,0|1,0,1]=4 20293 B13R1.167 CC(=O)OCCSC1COCC1O 62a_100009814007_200000725654 [0,1,0,1,0,0|2,0,0]=4 20294 B13R1.167 CC(=O)OCCSC1COCC1O 62a_200000725654_100009814007 [0,1,0,1,0,0|2,0,0]=4 20295 B13R1.167 CC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_100009814007_200016002552 [0,1,0,1,0,0|1,0,0]=3 20296 B13R1.167 CC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009814007 [0,1,0,1,0,0|1,0,0]=3 20297 B13R1.167 CC(=O)OCOCC1CCCN1C 34a_100000743107_100009813279 [0,1,0,1,0,0|1,0,0]=3 20298 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 2230a_100020605311_100000038929 [0,1,0,1,0,0|0,1,0]=3 20299 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 269982a_100020605311_100000038929 [0,1,0,1,0,0|0,1,0]=3 20300 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 2230a_100015189458_100000038929 [0,1,0,1,0,0|0,1,0]=3 20301 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 269982a_100015189458_100000038929 [0,1,0,1,0,0|0,1,0]=3 20302 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 34a_100015189458_100000038929 [0,1,0,1,0,0|0,1,0]=3 20303 B13R1.167 CC(=O)SCCCN1CCSC1C 2230a_200011216479_100000038929 [0,1,0,1,0,0|1,1,0]=4 20304 B13R1.167 CC(=O)SCCCN1CCSC1C 269982a_200011216479_100000038929 [0,1,0,1,0,0|1,1,0]=4 20305 B13R1.167 CC(=O)SCCCN1CCSC1C 34a_200011216479_100000038929 [0,1,0,1,0,0|1,1,0]=4 20306 B13R1.167 CC(=O)SCCNC1CCCC1C 269862a_100020647217_100000752053 [0,1,0,1,0,0|0,1,0]=3 20307 B13R1.167 CC(=S)OCCCN1CCC[C@@H]1C 2230a_100020605311_200135323944 [0,1,0,1,0,0|0,1,0]=3 20308 B13R1.167 CC(=S)OCCCN1CCC[C@@H]1C 269982a_100020605311_200135323944 [0,1,0,1,0,0|0,1,0]=3 20309 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 2230a_100015189458_200135323944 [0,1,0,1,0,0|0,1,0]=3 20310 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 269982a_100015189458_200135323944 [0,1,0,1,0,0|0,1,0]=3 20311 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 34a_100015189458_200135323944 [0,1,0,1,0,0|0,1,0]=3 20312 B13R1.167 CC(=S)OCCCN1CCSC1C 2230a_200011216479_200135323944 [0,1,0,1,0,0|1,1,0]=4 20313 B13R1.167 CC(=S)OCCCN1CCSC1C 269982a_200011216479_200135323944 [0,1,0,1,0,0|1,1,0]=4 20314 B13R1.167 CC(=S)OCCCN1CCSC1C 34a_200011216479_200135323944 [0,1,0,1,0,0|1,1,0]=4 20315 B13R1.167 CC(C)OCCNC1CCCC1C 269862a_100000701111_100000752053 [0,1,0,1,0,0|1,0,1]=4 20316 B13R1.167 CC(C)OCCOC1CCCC1C 34a_100011216460_100000211751 [0,1,0,1,0,0|1,0,1]=4 20317 B13R1.167 CC(C)OCCOC1CCCC1C 7a_100011216460_100000211751 [0,1,0,1,0,0|1,0,1]=4 20318 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [0,1,0,1,0,0|2,0,0]=4 20319 B13R1.167 CC1CCCC1NCCNC(=O)N 269862a_100020590234_100000752053 [0,1,0,1,0,0|2,0,0]=4 20320 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [0,1,0,1,0,0|2,0,0]=4 20321 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [0,1,0,1,0,0|2,0,0]=4 20322 B13R1.167 CC1CCCC1OCCNC(=O)N 7a_100011216460_200000034859 [0,1,0,1,0,0|2,0,0]=4 20323 B13R1.167 CC1CCCC1OCCOC(=O)N 34a_100011216460_200011214921 [0,1,0,1,0,0|1,0,0]=3 20324 B13R1.167 CC1CCCC1OCCOC(=O)N 7a_100011216460_200011214921 [0,1,0,1,0,0|1,0,0]=3 20325 B13R1.167 CN1CCCC1CCOCC(=O)N 34a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 20326 B13R1.167 CN1CCCC1CCOCC(=O)N 7a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 20327 B13R1.167 CN1CCCC1CCOCC(=O)[O-] 34a_100011215177_100020667443 [0,1,0,1,0,0|2,0,0]=4 20328 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 2230a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 20329 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 269982a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 20330 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 34a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 20331 B13R1.167 C[C@@H]1CNC[C@@H]1OCCOC(=O)N 34a_200015306588_200011214921 [0,1,0,1,0,0|2,0,0]=4 20332 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 2230a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 20333 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 269982a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 20334 B13R1.167 NC(=O)OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200011214921 [0,1,0,1,0,0|2,0,0]=4 20335 B13R1.167 NC(=O)OCCO[C@H]1CCC[C@@H]1N 34a_100000748460_200011214921 [0,1,0,1,0,0|2,0,0]=4 20336 B13R1.167 NC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_200011214921_200016002552 [0,1,0,1,0,0|2,0,0]=4 20337 B13R1.167 NC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200011214921 [0,1,0,1,0,0|2,0,0]=4 20338 B13R1.218 COCC1CCN1CCCC(=O)C 269982a_100015195929_100011215641 [0,1,0,1,0,0|2,0,0]=4 20339 B13R1.218 COCC1CCN1CCCC(=O)C 34a_100015195929_100000685027 [0,1,0,1,0,0|2,0,0]=4 20340 B13R1.218 COCC1CCN1CCNC(=O)C 2230a_100015195929_100000189650 [0,1,0,1,0,0|2,0,0]=4 20341 B13R1.218 COCC1CCN1CCNC(=O)C 269982a_100015195929_100000189650 [0,1,0,1,0,0|2,0,0]=4 20342 B13R1.218 COCC1CCN1CCOC(=O)C 269982a_100015195929_100009814007 [0,1,0,1,0,0|1,0,0]=3 20343 B13R1.218 COCC1CCN1CCOC(=O)C 34a_100015195929_100009814007 [0,1,0,1,0,0|1,0,0]=3 20344 B13R1.218 COCC1CCN1CCOC(=O)N 269982a_100015195929_200011214921 [0,1,0,1,0,0|2,0,0]=4 20345 B13R1.218 COCC1CCN1CCOC(=O)N 34a_100015195929_200011214921 [0,1,0,1,0,0|2,0,0]=4 20346 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|2,0,0]=4 20347 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 20348 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 20349 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 20350 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [0,1,0,1,0,0|2,0,0]=4 20351 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 20352 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [0,1,0,1,0,0|2,0,0]=4 20353 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [0,1,0,1,0,0|2,0,0]=4 20354 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 20355 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 20356 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [0,1,0,1,0,0|1,0,0]=3 20357 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [0,1,0,1,0,0|1,0,0]=3 20358 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [0,1,0,1,0,0|1,0,0]=3 20359 B13R1.343 C=C(C)COCCCN1CCCC1 34a_100000210245_100016991639 [0,1,0,1,0,0|2,0,0]=4 20360 B13R1.343 C=C(C)COCCNC1CCCC1 34a_200000200444_100000748629 [0,1,0,1,0,0|2,0,0]=4 20361 B13R1.343 C=C(C)COCCOC1CCCC1 34a_100000738311_100000748629 [0,1,0,1,0,0|2,0,0]=4 20362 B13R1.343 C=C(C)COCCOC1CCCC1 7a_100000738311_100000748629 [0,1,0,1,0,0|2,0,0]=4 20363 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [0,1,0,1,0,0|1,1,0]=4 20364 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [0,1,0,1,0,0|1,1,0]=4 20365 B13R1.343 C=C(F)COCCCC1CCCC1 34a_100011215328_100009893438 [0,1,0,1,0,0|1,0,1]=4 20366 B13R1.343 C=C(F)COCCCC1CCCC1 34a_200010262243_100011713738 [0,1,0,1,0,0|1,0,1]=4 20367 B13R1.343 C=C(F)COCCCC1CCCC1 7a_100011215328_100000042424 [0,1,0,1,0,0|1,0,1]=4 20368 B13R1.343 CC(=CCCNCC1CCCC1)C 2230a_100000737975_100011217483 [0,1,0,1,0,0|2,0,0]=4 20369 B13R1.343 CC(=CCCNCC1CCCC1)C 34a_100000737975_100011217483 [0,1,0,1,0,0|2,0,0]=4 20370 B13R1.343 CC(=CCCOCC1CCCC1)C 34a_100000742336_100011217483 [0,1,0,1,0,0|2,0,0]=4 20371 B13R1.343 CC(=CCCOCC1CCCC1)C 7a_100000742336_100011217483 [0,1,0,1,0,0|2,0,0]=4 20372 B13R1.343 CC(=CCCSCC1CCCC1)C 62a_100000740388_100011217483 [0,1,0,1,0,0|2,0,0]=4 20373 B13R1.343 CC(=CCCSCC1CCCC1)C 62a_100011217483_100000740388 [0,1,0,1,0,0|2,0,0]=4 20374 B13R1.343 CC(=CCNCCC1CCCC1)C 2230a_100000739158_100000761012 [0,1,0,1,0,0|2,0,0]=4 20375 B13R1.343 CC(=CCNCCC1CCCC1)C 34a_100000718196_100000760354 [0,1,0,1,0,0|2,0,0]=4 20376 B13R1.343 CC(=CCNCCC1CCCC1)C 34a_100000739158_100000761012 [0,1,0,1,0,0|2,0,0]=4 20377 B13R1.343 CC(=CCOCCC1CCCC1)C 34a_100000749090_100000761012 [0,1,0,1,0,0|2,0,0]=4 20378 B13R1.343 CC(=CCOCCC1CCCC1)C 34a_100000753907_100000760354 [0,1,0,1,0,0|2,0,0]=4 20379 B13R1.343 CC(=CCOCCC1CCCC1)C 7a_100000749090_100000761012 [0,1,0,1,0,0|2,0,0]=4 20380 B13R1.343 CC(=CCSCCC1CCCC1)C 62a_100000760354_100000761012 [0,1,0,1,0,0|2,0,0]=4 20381 B13R1.343 CC(=CCSCCC1CCCC1)C 62a_100000761012_100000760354 [0,1,0,1,0,0|2,0,0]=4 20382 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [0,1,0,1,0,0|1,0,0]=3 20383 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100009817362 [0,1,0,1,0,0|2,0,0]=4 20384 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [0,1,0,1,0,0|1,0,0]=3 20385 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [0,1,0,1,0,0|1,0,0]=3 20386 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,1,0,1,0,0|2,0,0]=4 20387 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [0,1,0,1,0,0|2,0,0]=4 20388 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100009817362 [0,1,0,1,0,0|2,0,0]=4 20389 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [0,1,0,1,0,0|1,0,0]=3 20390 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [0,1,0,1,0,0|1,0,0]=3 20391 B13R1.343 CC(=O)CCCCSC1CCOC1 62a_100000735457_100000690089 [0,1,0,1,0,0|2,0,0]=4 20392 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [0,1,0,1,0,0|1,0,0]=3 20393 B13R1.343 CC(=O)CCCNCC1CCOC1 34a_100000737293_100000685027 [0,1,0,1,0,0|2,0,0]=4 20394 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,1,0,1,0,0|2,0,0]=4 20395 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [0,1,0,1,0,0|1,0,0]=3 20396 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [0,1,0,1,0,0|1,0,0]=3 20397 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [0,1,0,1,0,0|1,0,0]=3 20398 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [0,1,0,1,0,0|1,0,0]=3 20399 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,1,0,1,0,0|2,0,0]=4 20400 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,1,0,1,0,0|2,0,0]=4 20401 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,1,0,1,0,0|2,0,0]=4 20402 B13R1.343 CC(=O)CCCOCC1CCNC1 34a_100000748654_100000685027 [0,1,0,1,0,0|2,0,0]=4 20403 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000740260_100000685027 [0,1,0,1,0,0|2,0,0]=4 20404 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000759063_100011261433 [0,1,0,1,0,0|2,0,0]=4 20405 B13R1.343 CC(=O)CCCOCC1CCOC1 7a_100000759063_100000702531 [0,1,0,1,0,0|2,0,0]=4 20406 B13R1.343 CC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000685027 [0,1,0,1,0,0|2,0,0]=4 20407 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [0,1,0,1,0,0|1,0,0]=3 20408 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [0,1,0,1,0,0|1,0,0]=3 20409 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,1,0,1,0,0|2,0,0]=4 20410 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,1,0,1,0,0|2,0,0]=4 20411 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100000702531_100011215641 [0,1,0,1,0,0|2,0,0]=4 20412 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100011215641_100000702531 [0,1,0,1,0,0|2,0,0]=4 20413 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [0,1,0,1,0,0|1,0,0]=3 20414 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [0,1,0,1,0,0|1,0,0]=3 20415 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [0,1,0,1,0,0|1,0,0]=3 20416 B13R1.343 CC(=O)CCOCCN1CCCC1 7a_100000759926_100000004467 [0,1,0,1,0,0|2,0,0]=4 20417 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [0,1,0,1,0,0|1,0,0]=3 20418 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [0,1,0,1,0,0|1,0,0]=3 20419 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000053229_100000004467 [0,1,0,1,0,0|2,0,0]=4 20420 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000700749_100000053229 [0,1,0,1,0,0|2,0,0]=4 20421 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [0,1,0,1,0,0|0,0,0]=2 20422 B13R1.343 CC(=O)COCCCC1OCCO1 34a_100000211253_100009861162 [0,1,0,1,0,0|2,0,0]=4 20423 B13R1.343 CC(=O)COCCCN1CCCC1 34a_100000211253_100016991639 [0,1,0,1,0,0|1,0,0]=3 20424 B13R1.343 CC(=O)NCCCCN1CCCC1 1626a_100000740493_100015343762 [0,1,0,1,0,0|1,0,0]=3 20425 B13R1.343 CC(=O)NCCCCN1CCCC1 240690a_100000740493_100015343762 [0,1,0,1,0,0|1,0,0]=3 20426 B13R1.343 CC(=O)NCCCNC1CCCC1 270004a_100000736810_100000210133 [0,1,0,1,0,0|1,0,0]=3 20427 B13R1.343 CC(=O)NCCCNC1CCCC1 34a_100000736810_100000179811 [0,1,0,1,0,0|1,0,0]=3 20428 B13R1.343 CC(=O)NCCCNC1CCOC1 270004a_100000736810_100000752484 [0,1,0,1,0,0|2,0,0]=4 20429 B13R1.343 CC(=O)NCCCNC1CCOC1 34a_100000736810_100000690089 [0,1,0,1,0,0|2,0,0]=4 20430 B13R1.343 CC(=O)NCCCNC1CCSC1 270004a_100000736810_100000212027 [0,1,0,1,0,0|2,0,0]=4 20431 B13R1.343 CC(=O)NCCCOC1CCCC1 11a_100000747560_100015343762 [0,1,0,1,0,0|1,0,0]=3 20432 B13R1.343 CC(=O)NCCCOC1CCCC1 1626a_100000747560_100015343762 [0,1,0,1,0,0|1,0,0]=3 20433 B13R1.343 CC(=O)NCCCOC1CCCC1 240690a_100000747560_100015343762 [0,1,0,1,0,0|1,0,0]=3 20434 B13R1.343 CC(=O)NCCCOC1CCCC1 34a_100000752032_100000179811 [0,1,0,1,0,0|1,0,0]=3 20435 B13R1.343 CC(=O)NCCCOC1CCCC1 527a_100000747560_100103153847 [0,1,0,1,0,0|1,0,0]=3 20436 B13R1.343 CC(=O)NCCCOC1CCOC1 34a_100000752032_100000690089 [0,1,0,1,0,0|2,0,0]=4 20437 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000209853_100000740388 [0,1,0,1,0,0|1,0,0]=3 20438 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000737975_100000189650 [0,1,0,1,0,0|1,0,0]=3 20439 B13R1.343 CC(=O)NCCNCC1CCCC1 269862a_100000209853_100000746403 [0,1,0,1,0,0|1,0,0]=3 20440 B13R1.343 CC(=O)NCCNCC1CCCO1 2230a_100000209853_100000203698 [0,1,0,1,0,0|2,0,0]=4 20441 B13R1.343 CC(=O)NCCNCC1CCOC1 2230a_100000209853_100000702531 [0,1,0,1,0,0|2,0,0]=4 20442 B13R1.343 CC(=O)NCCNCC1CCOC1 2230a_100000737293_100000189650 [0,1,0,1,0,0|2,0,0]=4 20443 B13R1.343 CC(=O)NCCNC[C@@H]1CCCO1 2230a_100020590478_100000189650 [0,1,0,1,0,0|2,0,0]=4 20444 B13R1.343 CC(=O)NCCOCC1CCCC1 34a_100000158858_100000740388 [0,1,0,1,0,0|1,0,0]=3 20445 B13R1.343 CC(=O)NCCOCC1CCCC1 7a_100000742336_100000189650 [0,1,0,1,0,0|1,0,0]=3 20446 B13R1.343 CC(=O)NCCOCC1CCCO1 7a_100000210270_100000189650 [0,1,0,1,0,0|2,0,0]=4 20447 B13R1.343 CC(=O)NCCOCC1CCOC1 34a_100000158858_100011261433 [0,1,0,1,0,0|2,0,0]=4 20448 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000189650_100000740388 [0,1,0,1,0,0|1,0,0]=3 20449 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000740388_100000189650 [0,1,0,1,0,0|1,0,0]=3 20450 B13R1.343 CC(=O)NCCSCC1CCCO1 62a_100000189650_100000203698 [0,1,0,1,0,0|2,0,0]=4 20451 B13R1.343 CC(=O)NCCSCC1CCCO1 62a_100000203698_100000189650 [0,1,0,1,0,0|2,0,0]=4 20452 B13R1.343 CC(=O)NCCSCC1CCOC1 62a_100000189650_100000702531 [0,1,0,1,0,0|2,0,0]=4 20453 B13R1.343 CC(=O)NCCSCC1CCOC1 62a_100000702531_100000189650 [0,1,0,1,0,0|2,0,0]=4 20454 B13R1.343 CC(=O)NN=CCCC1CCCC1 4a_100000189765_100011713431 [0,1,0,1,0,0|1,0,1]=4 20455 B13R1.343 CC(=O)OCCCCN1CC=CC1 269982a_100015195280_100000033659 [0,1,0,1,0,0|0,0,2]=4 20456 B13R1.343 CC(=O)OCCCCN1CCCC1 269982a_100000188435_100000033659 [0,1,0,1,0,0|0,0,0]=2 20457 B13R1.343 CC(=O)OCCCCN1CCSC1 269982a_100011215254_100000033659 [0,1,0,1,0,0|1,0,0]=3 20458 B13R1.343 CC(=O)OCCCNC1CCCC1 34a_100000211070_100000042594 [0,1,0,1,0,0|0,0,0]=2 20459 B13R1.343 CC(=O)OCCCN[C@H]1CCOC1 34a_100015188467_100000042594 [0,1,0,1,0,0|1,0,0]=3 20460 B13R1.343 CC(=O)OCCCOC1CCCC1 34a_100000210269_100000042594 [0,1,0,1,0,0|0,0,0]=2 20461 B13R1.343 CC(=O)OCCCOC1CCCC1 7a_100000210269_100000042594 [0,1,0,1,0,0|0,0,0]=2 20462 B13R1.343 CC(=O)OCCCOC1CCCO1 34a_100000085407_100000042594 [0,1,0,1,0,0|1,0,0]=3 20463 B13R1.343 CC(=O)OCCCOC1CCSC1 7a_100011232664_100000042594 [0,1,0,1,0,0|1,0,0]=3 20464 B13R1.343 CC(=O)OCCCO[C@H]1CCOC1 34a_100000717292_100000042594 [0,1,0,1,0,0|1,0,0]=3 20465 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100000042594_100000179811 [0,1,0,1,0,0|0,0,0]=2 20466 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100011217020_100000042594 [0,1,0,1,0,0|0,0,0]=2 20467 B13R1.343 CC(=O)OCCCSC1CCOC1 62a_100000042594_100000690089 [0,1,0,1,0,0|1,0,0]=3 20468 B13R1.343 CC(=O)OCCNCC1CCCC1 34a_100000737975_100009814007 [0,1,0,1,0,0|0,0,0]=2 20469 B13R1.343 CC(=O)OCCNCC1CCOC1 34a_100000737293_100009814007 [0,1,0,1,0,0|1,0,0]=3 20470 B13R1.343 CC(=O)OCCNCC1OCCO1 34a_100000036311_100009814007 [0,1,0,1,0,0|2,0,0]=4 20471 B13R1.343 CC(=O)OCCNC[C@@H]1CCCO1 34a_100020590478_100009814007 [0,1,0,1,0,0|1,0,0]=3 20472 B13R1.343 CC(=O)OCCOCC1CC=CC1 34a_100000688395_100009814007 [0,1,0,1,0,0|0,0,2]=4 20473 B13R1.343 CC(=O)OCCOCC1CCCC1 34a_100000742336_100009814007 [0,1,0,1,0,0|0,0,0]=2 20474 B13R1.343 CC(=O)OCCOCC1CCCC1 7a_100000742336_100009814007 [0,1,0,1,0,0|0,0,0]=2 20475 B13R1.343 CC(=O)OCCOCC1CCCO1 34a_100000210270_100009814007 [0,1,0,1,0,0|1,0,0]=3 20476 B13R1.343 CC(=O)OCCOCC1CCCO1 7a_100000210270_100009814007 [0,1,0,1,0,0|1,0,0]=3 20477 B13R1.343 CC(=O)OCCOCC1CCNC1 34a_100000748654_100009814007 [0,1,0,1,0,0|1,0,0]=3 20478 B13R1.343 CC(=O)OCCOCC1CCOC1 34a_100000740260_100009814007 [0,1,0,1,0,0|1,0,0]=3 20479 B13R1.343 CC(=O)OCCOCC1COCO1 34a_100011216627_100009814007 [0,1,0,1,0,0|2,0,0]=4 20480 B13R1.343 CC(=O)OCCOCC1OCCO1 34a_100000087154_100009814007 [0,1,0,1,0,0|2,0,0]=4 20481 B13R1.343 CC(=O)OCCOCN1CCCC1 269982a_100000188435_100000076355 [0,1,0,1,0,0|1,0,0]=3 20482 B13R1.343 CC(=O)OCCOCN1CCSC1 269982a_100011215254_100000076355 [0,1,0,1,0,0|2,0,0]=4 20483 B13R1.343 CC(=O)OCCOC[C@H]1CCCN1 34a_100000745186_100009814007 [0,1,0,1,0,0|1,0,0]=3 20484 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100000740388_100009814007 [0,1,0,1,0,0|0,0,0]=2 20485 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100009814007_100000740388 [0,1,0,1,0,0|0,0,0]=2 20486 B13R1.343 CC(=O)OCCSCC1CCCO1 62a_100000203698_100009814007 [0,1,0,1,0,0|1,0,0]=3 20487 B13R1.343 CC(=O)OCCSCC1CCCO1 62a_100009814007_100000203698 [0,1,0,1,0,0|1,0,0]=3 20488 B13R1.343 CC(=O)OCCSCC1CCOC1 62a_100000702531_100009814007 [0,1,0,1,0,0|1,0,0]=3 20489 B13R1.343 CC(=O)OCCSCC1CCOC1 62a_100009814007_100000702531 [0,1,0,1,0,0|1,0,0]=3 20490 B13R1.343 CC(=O)OCCSCC1OCCO1 62a_100000755774_100009814007 [0,1,0,1,0,0|2,0,0]=4 20491 B13R1.343 CC(=O)OCCSCC1OCCO1 62a_100009814007_100000755774 [0,1,0,1,0,0|2,0,0]=4 20492 B13R1.343 CC(=O)OCNCCC1CCCC1 34a_100000739158_100009813279 [0,1,0,1,0,0|0,0,0]=2 20493 B13R1.343 CC(=O)OCNCCC1OCCO1 34a_100000034215_100009813279 [0,1,0,1,0,0|2,0,0]=4 20494 B13R1.343 CC(=O)OCOCCC1CCCC1 34a_100000749090_100009813279 [0,1,0,1,0,0|0,0,0]=2 20495 B13R1.343 CC(=O)OCOCCC1CCNC1 34a_100016987287_100009813279 [0,1,0,1,0,0|1,0,0]=3 20496 B13R1.343 CC(=O)OCOCCC1CCOC1 34a_100011879284_100009813279 [0,1,0,1,0,0|1,0,0]=3 20497 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000076356_100000760354 [0,1,0,1,0,0|0,0,0]=2 20498 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000760354_100000076356 [0,1,0,1,0,0|0,0,0]=2 20499 B13R1.343 CC(=O)OCSCCC1OCCO1 62a_100000076356_100000740749 [0,1,0,1,0,0|2,0,0]=4 20500 B13R1.343 CC(=O)OCSCCN1CCCC1 62a_100000076356_100000004467 [0,1,0,1,0,0|1,0,0]=3 20501 B13R1.343 CC(=O)OCSCCN1CCCC1 62a_100000700749_100000076356 [0,1,0,1,0,0|1,0,0]=3 20502 B13R1.343 CC(=O)SCCCCN1CCCC1 2230a_100000188435_200010402107 [0,1,0,1,0,0|0,1,0]=3 20503 B13R1.343 CC(=O)SCCCCN1CCCC1 269982a_100000188435_200010402107 [0,1,0,1,0,0|0,1,0]=3 20504 B13R1.343 CC(=O)SCCCCN1CCSC1 2230a_100011215254_200010402107 [0,1,0,1,0,0|1,1,0]=4 20505 B13R1.343 CC(=O)SCCCCN1CCSC1 269982a_100011215254_200010402107 [0,1,0,1,0,0|1,1,0]=4 20506 B13R1.343 CC(=O)SCCCNC1CCCC1 2230a_100000211070_100000038929 [0,1,0,1,0,0|0,1,0]=3 20507 B13R1.343 CC(=O)SCCCNC1CCCC1 34a_100000211070_100000038929 [0,1,0,1,0,0|0,1,0]=3 20508 B13R1.343 CC(=O)SCCCN[C@@H]1CCOC1 2230a_200015188469_100000038929 [0,1,0,1,0,0|1,1,0]=4 20509 B13R1.343 CC(=O)SCCCN[C@H]1CCOC1 2230a_100015188467_100000038929 [0,1,0,1,0,0|1,1,0]=4 20510 B13R1.343 CC(=O)SCCCN[C@H]1CCOC1 34a_100015188467_100000038929 [0,1,0,1,0,0|1,1,0]=4 20511 B13R1.343 CC(=O)SCCCOC1CCCC1 34a_100000210269_100000038929 [0,1,0,1,0,0|0,1,0]=3 20512 B13R1.343 CC(=O)SCCCOC1CCCC1 7a_100000210269_100000038929 [0,1,0,1,0,0|0,1,0]=3 20513 B13R1.343 CC(=O)SCCCOC1CCCO1 34a_100000085407_100000038929 [0,1,0,1,0,0|1,1,0]=4 20514 B13R1.343 CC(=O)SCCCOC1CCSC1 7a_100011232664_100000038929 [0,1,0,1,0,0|1,1,0]=4 20515 B13R1.343 CC(=O)SCCCO[C@H]1CCOC1 34a_100000717292_100000038929 [0,1,0,1,0,0|1,1,0]=4 20516 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100000038929_100000179811 [0,1,0,1,0,0|0,1,0]=3 20517 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100011217020_100000038929 [0,1,0,1,0,0|0,1,0]=3 20518 B13R1.343 CC(=O)SCCCSC1CCOC1 62a_100000038929_100000690089 [0,1,0,1,0,0|1,1,0]=4 20519 B13R1.343 CC(=O)SCCNCC1CCCC1 269862a_100020647217_100000746403 [0,1,0,1,0,0|0,1,0]=3 20520 B13R1.343 CC(=S)OCCCNC1CCCC1 2230a_100000211070_200135323944 [0,1,0,1,0,0|0,1,0]=3 20521 B13R1.343 CC(=S)OCCCNC1CCCC1 34a_100000211070_200135323944 [0,1,0,1,0,0|0,1,0]=3 20522 B13R1.343 CC(=S)OCCCN[C@@H]1CCOC1 2230a_200015188469_200135323944 [0,1,0,1,0,0|1,1,0]=4 20523 B13R1.343 CC(=S)OCCCN[C@H]1CCOC1 2230a_100015188467_200135323944 [0,1,0,1,0,0|1,1,0]=4 20524 B13R1.343 CC(=S)OCCCN[C@H]1CCOC1 34a_100015188467_200135323944 [0,1,0,1,0,0|1,1,0]=4 20525 B13R1.343 CC(=S)OCCCOC1CCCC1 34a_100000210269_200135323944 [0,1,0,1,0,0|0,1,0]=3 20526 B13R1.343 CC(=S)OCCCOC1CCCC1 7a_100000210269_200135323944 [0,1,0,1,0,0|0,1,0]=3 20527 B13R1.343 CC(=S)OCCCOC1CCCO1 34a_100000085407_200135323944 [0,1,0,1,0,0|1,1,0]=4 20528 B13R1.343 CC(=S)OCCCOC1CCSC1 7a_100011232664_200135323944 [0,1,0,1,0,0|1,1,0]=4 20529 B13R1.343 CC(=S)OCCCO[C@H]1CCOC1 34a_100000717292_200135323944 [0,1,0,1,0,0|1,1,0]=4 20530 B13R1.343 CC(=S)OCCCSC1CCCC1 62a_100011217020_200135323944 [0,1,0,1,0,0|0,1,0]=3 20531 B13R1.343 CC(=S)OCCCSC1CCCC1 62a_200135323944_100000179811 [0,1,0,1,0,0|0,1,0]=3 20532 B13R1.343 CC(=S)OCCCSC1CCOC1 62a_200135323944_100000690089 [0,1,0,1,0,0|1,1,0]=4 20533 B13R1.343 CC(Br)COCCCC1CCCC1 34a_100012180447_100011713738 [0,1,0,1,0,0|1,0,1]=4 20534 B13R1.343 CC(C)COCCCC1CCCC1 34a_100000210257_100011713738 [0,1,0,1,0,0|1,0,1]=4 20535 B13R1.343 CC(C)COCCCC1CCCC1 34a_100011215328_100000210624 [0,1,0,1,0,0|1,0,1]=4 20536 B13R1.343 CC(C)COCCCC1CCCC1 7a_100011215328_100000210760 [0,1,0,1,0,0|1,0,1]=4 20537 B13R1.343 CC(C)OCCCNC1CCCC1 2230a_100000737246_100000179811 [0,1,0,1,0,0|1,0,1]=4 20538 B13R1.343 CC(C)OCCCNC1CCCC1 270004a_100000737246_100000210133 [0,1,0,1,0,0|1,0,1]=4 20539 B13R1.343 CC(C)OCCCNC1CCCC1 34a_100000737246_100000179811 [0,1,0,1,0,0|1,0,1]=4 20540 B13R1.343 CC(C)OCCNCC1CCCC1 2230a_100000701111_100000740388 [0,1,0,1,0,0|1,0,1]=4 20541 B13R1.343 CC(C)OCCNCC1CCCC1 2230a_100000737975_100000211751 [0,1,0,1,0,0|1,0,1]=4 20542 B13R1.343 CC(C)OCCNCC1CCCC1 269862a_100000701111_100000746403 [0,1,0,1,0,0|1,0,1]=4 20543 B13R1.343 CC(C)OCCNCC1CCCC1 34a_100000701111_100000740388 [0,1,0,1,0,0|1,0,1]=4 20544 B13R1.343 CC(C)OCCNCC1CCCC1 34a_100000737975_100000211751 [0,1,0,1,0,0|1,0,1]=4 20545 B13R1.343 CC(C)OCCOCC1CCCC1 34a_100000211219_100000740388 [0,1,0,1,0,0|1,0,1]=4 20546 B13R1.343 CC(C)OCCOCC1CCCC1 34a_100000742336_100000211751 [0,1,0,1,0,0|1,0,1]=4 20547 B13R1.343 CC(C)OCCOCC1CCCC1 7a_100000211219_100000740388 [0,1,0,1,0,0|1,0,1]=4 20548 B13R1.343 CC(C)OCCOCC1CCCC1 7a_100000742336_100000211751 [0,1,0,1,0,0|1,0,1]=4 20549 B13R1.343 CC(C)OCCSCC1CCCC1 62a_100000211751_100000740388 [0,1,0,1,0,0|1,0,1]=4 20550 B13R1.343 CC(C)OCCSCC1CCCC1 62a_100000740388_100000211751 [0,1,0,1,0,0|1,0,1]=4 20551 B13R1.343 CC(C)OCNCCC1CCCC1 2230a_100000739158_100000709892 [0,1,0,1,0,0|1,0,1]=4 20552 B13R1.343 CC(C)OCNCCC1CCCC1 34a_100000739158_100000709892 [0,1,0,1,0,0|1,0,1]=4 20553 B13R1.343 CC(C)OCOCCC1CCCC1 34a_100000749090_100000709892 [0,1,0,1,0,0|1,0,1]=4 20554 B13R1.343 CC(C)OCSCCC1CCCC1 62a_100000709892_100000760354 [0,1,0,1,0,0|1,0,1]=4 20555 B13R1.343 CC(C)OCSCCC1CCCC1 62a_100000760354_100000709892 [0,1,0,1,0,0|1,0,1]=4 20556 B13R1.343 CC(F)COCCCC1CCCC1 34a_100015925927_100011713738 [0,1,0,1,0,0|1,0,1]=4 20557 B13R1.343 CC(O)COCCCC1CCCC1 34a_100011215328_100011218427 [0,1,0,1,0,0|0,0,2]=4 20558 B13R1.343 CC(O)COCCCC1CCCC1 7a_100011215328_100011218427 [0,1,0,1,0,0|0,0,2]=4 20559 B13R1.343 CS(=O)CCCNCC1CCCC1 2230a_200000753449_100000740388 [0,1,0,1,0,0|2,0,0]=4 20560 B13R1.343 C[C@@H](Cl)COCCCC1CCCC1 34a_100016084084_100011713738 [0,1,0,1,0,0|1,0,1]=4 20561 B13R1.343 C[C@@H](N)COCCCC1CCCC1 34a_100000737577_100011713738 [0,1,0,1,0,0|1,0,1]=4 20562 B13R1.343 C[C@@H](O)COCCCC1CCCC1 34a_100011215328_100009817552 [0,1,0,1,0,0|0,0,2]=4 20563 B13R1.343 C[C@@H](O)COCCCC1CCCC1 7a_100011215328_100009817552 [0,1,0,1,0,0|0,0,2]=4 20564 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [0,1,0,1,0,0|2,0,0]=4 20565 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [0,1,0,1,0,0|2,0,0]=4 20566 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [0,1,0,1,0,0|2,0,0]=4 20567 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [0,1,0,1,0,0|2,0,0]=4 20568 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [0,1,0,1,0,0|2,0,0]=4 20569 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [0,1,0,1,0,0|2,0,0]=4 20570 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [0,1,0,1,0,0|2,0,0]=4 20571 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [0,1,0,1,0,0|2,0,0]=4 20572 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [0,1,0,1,0,0|2,0,0]=4 20573 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [0,1,0,1,0,0|2,0,0]=4 20574 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [0,1,0,1,0,0|2,0,0]=4 20575 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [0,1,0,1,0,0|2,0,0]=4 20576 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [0,1,0,1,0,0|2,0,0]=4 20577 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [0,1,0,1,0,0|2,0,0]=4 20578 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [0,1,0,1,0,0|2,0,0]=4 20579 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [0,1,0,1,0,0|2,0,0]=4 20580 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [0,1,0,1,0,0|2,0,0]=4 20581 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [0,1,0,1,0,0|2,0,0]=4 20582 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [0,1,0,1,0,0|2,0,0]=4 20583 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [0,1,0,1,0,0|2,0,0]=4 20584 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [0,1,0,1,0,0|2,0,0]=4 20585 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [0,1,0,1,0,0|2,0,0]=4 20586 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [0,1,0,1,0,0|2,0,0]=4 20587 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [0,1,0,1,0,0|2,0,0]=4 20588 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 20589 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 20590 B13R1.343 NC(=O)COCCNC1CCCC1 2230a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 20591 B13R1.343 NC(=O)COCCNC1CCCC1 34a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 20592 B13R1.343 NC(=O)COCCNC1CCCC1 34a_200000200444_100000187820 [0,1,0,1,0,0|2,0,0]=4 20593 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 20594 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 20595 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 20596 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 20597 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100000076697_100000179811 [0,1,0,1,0,0|2,0,0]=4 20598 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100011217020_100000076697 [0,1,0,1,0,0|2,0,0]=4 20599 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [0,1,0,1,0,0|1,1,0]=4 20600 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [0,1,0,1,0,0|1,1,0]=4 20601 B13R1.343 NC(=O)NCCNCC1CCCC1 2230a_100000737975_200000034859 [0,1,0,1,0,0|2,0,0]=4 20602 B13R1.343 NC(=O)NCCNCC1CCCC1 269862a_100020590234_100000746403 [0,1,0,1,0,0|2,0,0]=4 20603 B13R1.343 NC(=O)NCCNCC1CCCC1 34a_100020590234_100000740388 [0,1,0,1,0,0|2,0,0]=4 20604 B13R1.343 NC(=O)NCCOCC1CCCC1 34a_100000181757_100000740388 [0,1,0,1,0,0|2,0,0]=4 20605 B13R1.343 NC(=O)NCCOCC1CCCC1 7a_100000742336_200000034859 [0,1,0,1,0,0|2,0,0]=4 20606 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_100000740388_200000034859 [0,1,0,1,0,0|2,0,0]=4 20607 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_200000034859_100000740388 [0,1,0,1,0,0|2,0,0]=4 20608 B13R1.343 NC(=O)OCCNCC1CCCC1 34a_100000737975_200011214921 [0,1,0,1,0,0|1,0,0]=3 20609 B13R1.343 NC(=O)OCCNCC1CCOC1 34a_100000737293_200011214921 [0,1,0,1,0,0|2,0,0]=4 20610 B13R1.343 NC(=O)OCCNC[C@@H]1CCCO1 34a_100020590478_200011214921 [0,1,0,1,0,0|2,0,0]=4 20611 B13R1.343 NC(=O)OCCOCC1CCCC1 34a_100000742336_200011214921 [0,1,0,1,0,0|1,0,0]=3 20612 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000742336_200011214921 [0,1,0,1,0,0|1,0,0]=3 20613 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000766696_100000740388 [0,1,0,1,0,0|1,0,0]=3 20614 B13R1.343 NC(=O)OCCOCC1CCCO1 34a_100000210270_200011214921 [0,1,0,1,0,0|2,0,0]=4 20615 B13R1.343 NC(=O)OCCOCC1CCCO1 7a_100000210270_200011214921 [0,1,0,1,0,0|2,0,0]=4 20616 B13R1.343 NC(=O)OCCOCC1CCCO1 7a_100000766696_100000203698 [0,1,0,1,0,0|2,0,0]=4 20617 B13R1.343 NC(=O)OCCOCC1CCNC1 34a_100000748654_200011214921 [0,1,0,1,0,0|2,0,0]=4 20618 B13R1.343 NC(=O)OCCOCC1CCOC1 34a_100000740260_200011214921 [0,1,0,1,0,0|2,0,0]=4 20619 B13R1.343 NC(=O)OCCOCC1CCOC1 7a_100000766696_100000702531 [0,1,0,1,0,0|2,0,0]=4 20620 B13R1.343 NC(=O)OCCOC[C@H]1CCCN1 34a_100000745186_200011214921 [0,1,0,1,0,0|2,0,0]=4 20621 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_100000740388_200011214921 [0,1,0,1,0,0|1,0,0]=3 20622 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_200011214921_100000740388 [0,1,0,1,0,0|1,0,0]=3 20623 B13R1.343 NC(=O)OCCSCC1CCCO1 62a_100000203698_200011214921 [0,1,0,1,0,0|2,0,0]=4 20624 B13R1.343 NC(=O)OCCSCC1CCCO1 62a_200011214921_100000203698 [0,1,0,1,0,0|2,0,0]=4 20625 B13R1.343 NC(=O)OCCSCC1CCOC1 62a_100000702531_200011214921 [0,1,0,1,0,0|2,0,0]=4 20626 B13R1.343 NC(=O)OCCSCC1CCOC1 62a_200011214921_100000702531 [0,1,0,1,0,0|2,0,0]=4 20627 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|2,0,0]=4 20628 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,1,0,1,0,0|2,0,0]=4 20629 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,1,0,1,0,0|2,0,0]=4 20630 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [0,1,0,1,0,0|2,0,0]=4 20631 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [0,1,0,1,0,0|1,0,0]=3 20632 B13R1.343 O=C([O-])COCCNC1CCCC1 34a_200000200444_100020667443 [0,1,0,1,0,0|2,0,0]=4 20633 B13R1.343 O=C([O-])COCCOC1CCCC1 34a_100000738311_100020667443 [0,1,0,1,0,0|2,0,0]=4 20634 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [0,1,0,1,0,0|1,1,0]=4 20635 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [0,1,0,1,0,0|1,1,0]=4 20636 B13R1.343 O=[N+]([O-])COCCCC1CCCC1 34a_100011215328_100000761209 [0,1,0,1,0,0|2,0,0]=4 20637 B13R1.343 O=[N+]([O-])OCCCCN1CCCC1 269982a_100000188435_100015694321 [0,1,0,1,0,0|2,0,0]=4 20638 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 20639 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 20640 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,1,0,1,0,0|2,0,0]=4 20641 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,1,0,1,0,0|2,0,0]=4 20642 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [0,1,0,1,0,0|1,0,0]=3 20643 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [0,1,0,1,0,0|1,0,0]=3 20644 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [0,1,0,1,0,0|1,0,0]=3 20645 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [0,1,0,1,0,0|1,0,0]=3 20646 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [0,1,0,1,0,0|1,0,0]=3 20647 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [0,1,0,1,0,0|1,0,0]=3 20648 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [0,1,0,1,0,0|2,0,0]=4 20649 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [0,1,0,1,0,0|2,0,0]=4 20650 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [0,1,0,1,0,0|2,0,0]=4 20651 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [0,1,0,1,0,0|2,0,0]=4 20652 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [0,1,0,1,0,0|2,0,0]=4 20653 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [0,1,0,1,0,0|2,0,0]=4 20654 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [0,1,0,1,0,0|2,0,0]=4 20655 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [0,1,0,1,0,0|2,0,0]=4 20656 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [0,1,0,1,0,0|2,0,0]=4 20657 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [0,1,0,1,0,0|2,0,0]=4 20658 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [0,1,0,1,0,0|2,0,0]=4 20659 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [0,1,0,1,0,0|2,0,0]=4 20660 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [0,1,0,1,0,0|2,0,0]=4 20661 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [0,1,0,1,0,0|2,0,0]=4 20662 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [0,1,0,1,0,0|2,0,0]=4 20663 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [0,1,0,1,0,0|2,0,0]=4 20664 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [0,1,0,1,0,0|2,0,0]=4 20665 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [0,1,0,1,0,0|2,0,0]=4 20666 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [0,1,0,1,0,0|2,0,0]=4 20667 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [0,1,0,1,0,0|2,0,0]=4 20668 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [0,1,0,1,0,0|2,0,0]=4 20669 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,1,0,0|2,0,0]=4 20670 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [0,1,0,1,0,0|2,0,0]=4 20671 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [0,1,0,1,0,0|2,0,0]=4 20672 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [0,1,0,1,0,0|2,0,0]=4 20673 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [0,1,0,1,0,0|2,0,0]=4 20674 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,1,0,0|2,0,0]=4 20675 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [0,1,0,1,0,0|2,0,0]=4 20676 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [0,1,0,1,0,0|2,0,0]=4 20677 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,1,0,0|2,0,0]=4 20678 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,1,0,0|2,0,0]=4 20679 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [0,1,0,1,0,0|2,0,0]=4 20680 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,1,0,0|2,0,0]=4 20681 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 20682 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 20683 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 20684 B13R1.380 CCCC1CCCCC1OC(C)C 34a_100011217265_100000210206 [0,1,0,1,0,0|1,0,1]=4 20685 B13R1.380 CCCC1CCCCC1OC(C)C 7a_100011217265_100000210206 [0,1,0,1,0,0|1,0,1]=4 20686 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,1,0,1,0,0|2,0,0]=4 20687 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,1,0,1,0,0|2,0,0]=4 20688 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,1,0,1,0,0|2,0,0]=4 20689 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,1,0,1,0,0|2,0,0]=4 20690 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,1,0,1,0,0|2,0,0]=4 20691 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,1,0,1,0,0|2,0,0]=4 20692 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,1,0,1,0,0|2,0,0]=4 20693 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,1,0,1,0,0|2,0,0]=4 20694 B13R1.392 CCCC1CCCC1=NNC(=O)C 4a_100000189765_100000723119 [0,1,0,1,0,0|1,0,1]=4 20695 B13R1.392 CCCN1CCCC1COC(C)C 34a_200000694710_100000210206 [0,1,0,1,0,0|1,0,1]=4 20696 B13R1.392 CCCN1CCCC1COC(C)C 7a_200000694710_100000210206 [0,1,0,1,0,0|1,0,1]=4 20697 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C 269982a_100020646714_100000053229 [0,1,0,1,0,0|2,0,0]=4 20698 B13R1.392 COC[C@@H]1CCCN1COC(=O)C 269982a_100020646714_100000076356 [0,1,0,1,0,0|1,0,0]=3 20699 B13R1.392 COC[C@@H]1CCCN1COC(=O)C 34a_100020646714_100009813279 [0,1,0,1,0,0|1,0,0]=3 20700 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,1,0,1,0,0|1,0,0]=3 20701 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,1,0,1,0,0|2,0,0]=4 20702 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,1,0,1,0,0|2,0,0]=4 20703 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,1,0,1,0,0|2,0,0]=4 20704 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|2,0,0]=4 20705 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|2,0,0]=4 20706 B13R1.572 COCCC1CCCCN1C(=O)C 11a_100015186528_100015343762 [0,1,0,1,0,0|1,0,0]=3 20707 B13R1.572 COCCC1CCCCN1C(=O)C 1626a_100015186528_100015343762 [0,1,0,1,0,0|1,0,0]=3 20708 B13R1.572 COCCC1CCCCN1C(=O)C 240690a_100015186528_100015343762 [0,1,0,1,0,0|1,0,0]=3 20709 B13R1.572 COCCC1CCCCN1C(=O)C 527a_100015186528_100103153847 [0,1,0,1,0,0|1,0,0]=3 20710 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|2,0,0]=4 20711 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|2,0,0]=4 20712 B13R1.659 BrCCCCCCCCOC1CC1 34a_100009813846_100000211595 [0,1,0,1,0,0|1,0,1]=4 20713 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [0,1,0,1,0,0|1,0,1]=4 20714 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [0,1,0,1,0,0|1,0,1]=4 20715 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [0,1,0,1,0,0|1,0,1]=4 20716 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [0,1,0,1,0,0|1,0,1]=4 20717 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 20718 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 20719 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [0,1,0,1,0,0|0,1,1]=4 20720 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|0,0,2]=4 20721 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|0,0,2]=4 20722 B13R1.659 CCCCCCOCCOC1CC1 34a_100000691444_100000211595 [0,1,0,1,0,0|1,0,1]=4 20723 B13R1.659 CCCCNCCCCOC1CC1 34a_200011216965_100000211595 [0,1,0,1,0,0|1,0,1]=4 20724 B13R1.659 CCCCOCCCCOC1CC1 34a_200000760531_100000211595 [0,1,0,1,0,0|1,0,1]=4 20725 B13R1.659 ClCCCCCCCCOC1CC1 34a_100000033203_100000211595 [0,1,0,1,0,0|1,0,1]=4 20726 B13R1.659 NCCCCCCCCOC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|1,0,1]=4 20727 B13R1.670 CC(=O)N1CCC[C@@H]1COCCF 34a_100012242843_100011217306 [0,1,0,1,0,0|2,0,0]=4 20728 B13R1.670 CC(=O)N1CCC[C@@H]1COCCF 7a_100012242843_100011217306 [0,1,0,1,0,0|2,0,0]=4 20729 B13R1.670 CC(=O)N1CCC[C@@H]1COCCO 34a_100012242843_100000211926 [0,1,0,1,0,0|2,0,0]=4 20730 B13R1.670 CC(=O)N1CCC[C@@H]1COCCO 7a_100012242843_100000211926 [0,1,0,1,0,0|2,0,0]=4 20731 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [0,1,0,1,0,0|2,0,0]=4 20732 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|2,0,0]=4 20733 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 20734 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 20735 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210303 [0,1,0,1,0,0|1,0,0]=3 20736 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210303 [0,1,0,1,0,0|1,0,0]=3 20737 B13R1.670 CSCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100011218213 [0,1,0,1,0,0|2,0,0]=4 20738 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 20739 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 20740 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 20741 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 20742 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 20743 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,1,0,1,0,0|1,0,0]=3 20744 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,1,0,1,0,0|1,0,0]=3 20745 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,1,0,1,0,0|1,0,1]=4 20746 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,1,0,1,0,0|1,0,1]=4 20747 B13R1.1022 CC(=CCN1CCCCCCC1)C 2230a_100000211400_100000761012 [0,1,0,1,0,0|2,0,0]=4 20748 B13R1.1022 CC(=CCN1CCCCCCC1)C 269982a_100000211400_100000761012 [0,1,0,1,0,0|2,0,0]=4 20749 B13R1.1022 CC(=CCN1CCCCCCC1)C 34a_100000211400_100000761012 [0,1,0,1,0,0|2,0,0]=4 20750 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,1,0,1,0,0|1,0,0]=3 20751 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,1,0,1,0,0|1,0,0]=3 20752 B13R1.1022 CC(=O)COC1CC/C=C\CCC1 34a_100000211253_100021000466 [0,1,0,1,0,0|0,0,2]=4 20753 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 11a_100102730862_100015343762 [0,1,0,1,0,0|1,0,1]=4 20754 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 1626a_100102730862_100015343762 [0,1,0,1,0,0|1,0,1]=4 20755 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 240690a_100102730862_100015343762 [0,1,0,1,0,0|1,0,1]=4 20756 B13R1.1022 CC(=O)NCC1CC/C=C\CCC1 527a_100102730862_100103153847 [0,1,0,1,0,0|1,0,1]=4 20757 B13R1.1022 CC(=O)NN=C1CCCCCCC1 4a_100000189765_100000210524 [0,1,0,1,0,0|1,0,1]=4 20758 B13R1.1022 CC(=O)OCN1CCCCCCC1 269982a_100000211400_100000076356 [0,1,0,1,0,0|0,0,0]=2 20759 B13R1.1022 CC(=O)OCN1CCCCCCC1 34a_100000211400_100009813279 [0,1,0,1,0,0|0,0,0]=2 20760 B13R1.1022 CC(C)COC1CCCCCCC1 34a_100000210054_100000210624 [0,1,0,1,0,0|1,0,1]=4 20761 B13R1.1022 CC(C)COC1CCCCCCC1 7a_100000210054_100000210760 [0,1,0,1,0,0|1,0,1]=4 20762 B13R1.1022 CC(C)OCC1CCCCCCC1 34a_100011216312_100000210206 [0,1,0,1,0,0|1,0,1]=4 20763 B13R1.1022 CC(C)OCC1CCCCCCC1 7a_100011216312_100000210206 [0,1,0,1,0,0|1,0,1]=4 20764 B13R1.1022 CC(C)OCN1CCCCCCC1 2230a_100000211400_100000709892 [0,1,0,1,0,0|1,0,1]=4 20765 B13R1.1022 CC(C)OCN1CCCCCCC1 269982a_100000211400_100000709892 [0,1,0,1,0,0|1,0,1]=4 20766 B13R1.1022 CC(C)OCN1CCCCCCC1 34a_100000211400_100000709892 [0,1,0,1,0,0|1,0,1]=4 20767 B13R1.1022 CC(O)COC1CCCCCCC1 34a_100000210054_100011218427 [0,1,0,1,0,0|0,0,2]=4 20768 B13R1.1022 CC(O)COC1CCCCCCC1 7a_100000210054_100011218427 [0,1,0,1,0,0|0,0,2]=4 20769 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 34a_100000210054_100009817552 [0,1,0,1,0,0|0,0,2]=4 20770 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 7a_100000210054_100009817552 [0,1,0,1,0,0|0,0,2]=4 20771 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,1,0,1,0,0|2,0,0]=4 20772 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,1,0,1,0,0|2,0,0]=4 20773 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,1,0,1,0,0|2,0,0]=4 20774 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,1,0,1,0,0|2,0,0]=4 20775 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,1,0,1,0,0|2,0,0]=4 20776 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 20777 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 20778 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,1,0,1,0,0|2,0,0]=4 20779 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,1,0,1,0,0|1,0,0]=3 20780 B13R1.1022 O=[N+]([O-])COC1CCCCCCC1 34a_100000210054_100000761209 [0,1,0,1,0,0|2,0,0]=4 20781 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,1,0,1,0,0|1,0,0]=3 20782 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [0,1,0,1,0,0|1,0,0]=3 20783 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [0,1,0,1,0,0|1,0,0]=3 20784 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [0,1,0,1,0,0|1,0,0]=3 20785 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,1,0,1,0,0|2,0,0]=4 20786 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [0,1,0,1,0,0|1,0,0]=3 20787 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [0,1,0,1,0,0|1,0,0]=3 20788 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,1,0,1,0,0|2,0,0]=4 20789 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,1,0,1,0,0|2,0,0]=4 20790 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,1,0,1,0,0|2,0,0]=4 20791 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,1,0,1,0,0|2,0,0]=4 20792 B13R1.1052 CC(=O)CCCOCCNC1CC1 34a_100000738766_100000685027 [0,1,0,1,0,0|2,0,0]=4 20793 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,1,0,1,0,0|2,0,0]=4 20794 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,1,0,1,0,0|2,0,0]=4 20795 B13R1.1052 CC(=O)NCCCCCNC1CC1 34a_200012022750_100000211595 [0,1,0,1,0,0|1,0,0]=3 20796 B13R1.1052 CC(=O)NCCCCNCC1CC1 2230a_200011368371_100000742324 [0,1,0,1,0,0|1,0,0]=3 20797 B13R1.1052 CC(=O)NCCCCNCC1CC1 269862a_200011368371_100000741477 [0,1,0,1,0,0|1,0,0]=3 20798 B13R1.1052 CC(=O)NCCCCNCC1CC1 34a_200011368371_100000742324 [0,1,0,1,0,0|1,0,0]=3 20799 B13R1.1052 CC(=O)NCCCCNCC1CO1 2230a_200011368371_100011216344 [0,1,0,1,0,0|2,0,0]=4 20800 B13R1.1052 CC(=O)NCCCCNCC1CO1 34a_200011368371_102125554688 [0,1,0,1,0,0|2,0,0]=4 20801 B13R1.1052 CC(=O)NCCCNCCC1CC1 34a_100000736810_100000694398 [0,1,0,1,0,0|1,0,0]=3 20802 B13R1.1052 CC(=O)NCCCNCCC1CO1 34a_100000736810_100000732470 [0,1,0,1,0,0|2,0,0]=4 20803 B13R1.1052 CC(=O)NCCCOCCC1CC1 34a_100000752032_100000694398 [0,1,0,1,0,0|1,0,0]=3 20804 B13R1.1052 CC(=O)NCCCOCCC1CO1 34a_100000752032_100000732470 [0,1,0,1,0,0|2,0,0]=4 20805 B13R1.1052 CC(=O)NCCNCCCC1CO1 2230a_100000209853_100000733510 [0,1,0,1,0,0|2,0,0]=4 20806 B13R1.1052 CC(=O)NCCOCCCC1CO1 34a_100000158858_100000733510 [0,1,0,1,0,0|2,0,0]=4 20807 B13R1.1052 CC(=O)NCCSCCCC1CO1 62a_100000189650_100000733510 [0,1,0,1,0,0|2,0,0]=4 20808 B13R1.1052 CC(=O)NCCSCCCC1CO1 62a_100000733510_100000189650 [0,1,0,1,0,0|2,0,0]=4 20809 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [0,1,0,1,0,0|0,0,0]=2 20810 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [0,1,0,1,0,0|0,0,0]=2 20811 B13R1.1052 CC(=O)OCCCCNCC1CC1 34a_100000735609_100000033659 [0,1,0,1,0,0|0,0,0]=2 20812 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000073216_100000742324 [0,1,0,1,0,0|0,0,0]=2 20813 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000211283_100000033659 [0,1,0,1,0,0|0,0,0]=2 20814 B13R1.1052 CC(=O)OCCCCOCC1CC1 7a_100000073216_100000742324 [0,1,0,1,0,0|0,0,0]=2 20815 B13R1.1052 CC(=O)OCCCCOCC1CO1 34a_100000073216_102125554688 [0,1,0,1,0,0|1,0,0]=3 20816 B13R1.1052 CC(=O)OCCCCOCC1CO1 7a_100000073216_102125554688 [0,1,0,1,0,0|1,0,0]=3 20817 B13R1.1052 CC(=O)OCCCCOCC1CS1 7a_100000073216_100000031435 [0,1,0,1,0,0|1,0,0]=3 20818 B13R1.1052 CC(=O)OCCCCOC[C@@H]1CO1 34a_100000757423_100000033659 [0,1,0,1,0,0|1,0,0]=3 20819 B13R1.1052 CC(=O)OCCCCOC[C@@H]1CO1 7a_100000073216_100000745022 [0,1,0,1,0,0|1,0,0]=3 20820 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000033659_100000742324 [0,1,0,1,0,0|0,0,0]=2 20821 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000756562_100000033659 [0,1,0,1,0,0|0,0,0]=2 20822 B13R1.1052 CC(=O)OCCCCSCC1CO1 62a_100000033659_102125554688 [0,1,0,1,0,0|1,0,0]=3 20823 B13R1.1052 CC(=O)OCCCCSCC1CO1 62a_102125554688_100000033659 [0,1,0,1,0,0|1,0,0]=3 20824 B13R1.1052 CC(=O)OCCCCSCC1CS1 62a_100000031435_100000033659 [0,1,0,1,0,0|1,0,0]=3 20825 B13R1.1052 CC(=O)OCCCCSCC1CS1 62a_100000033659_100000031435 [0,1,0,1,0,0|1,0,0]=3 20826 B13R1.1052 CC(=O)OCCCCSC[C@@H]1CO1 62a_100000033659_100000745022 [0,1,0,1,0,0|1,0,0]=3 20827 B13R1.1052 CC(=O)OCCCCSC[C@@H]1CO1 62a_100000745022_100000033659 [0,1,0,1,0,0|1,0,0]=3 20828 B13R1.1052 CC(=O)OCCCNCCC1CC1 34a_100000764129_100000042594 [0,1,0,1,0,0|0,0,0]=2 20829 B13R1.1052 CC(=O)OCCCOCCC1CC1 34a_100000754188_100000042594 [0,1,0,1,0,0|0,0,0]=2 20830 B13R1.1052 CC(=O)OCCCOCCC1CC1 7a_100000754188_100000042594 [0,1,0,1,0,0|0,0,0]=2 20831 B13R1.1052 CC(=O)OCCCOCC[C@@H]1CO1 34a_100009820653_100000042594 [0,1,0,1,0,0|1,0,0]=3 20832 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000042594_100000764125 [0,1,0,1,0,0|0,0,0]=2 20833 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000764125_100000042594 [0,1,0,1,0,0|0,0,0]=2 20834 B13R1.1052 CC(=O)OCCCSCCC1CO1 62a_100000042594_100000732470 [0,1,0,1,0,0|1,0,0]=3 20835 B13R1.1052 CC(=O)OCCCSCCC1CO1 62a_100000732470_100000042594 [0,1,0,1,0,0|1,0,0]=3 20836 B13R1.1052 CC(=O)OCCOCC#CC1CC1 34a_100000083941_100009814007 [0,1,0,1,0,0|0,0,2]=4 20837 B13R1.1052 CC(=O)OCCOCC#CC1CC1 7a_100000083941_100009814007 [0,1,0,1,0,0|0,0,2]=4 20838 B13R1.1052 CC(=O)OCCOCCNC1CC1 34a_100000212008_200000083610 [0,1,0,1,0,0|1,0,0]=3 20839 B13R1.1052 CC(=O)OCCOCCNC1CC1 34a_100000738766_100009814007 [0,1,0,1,0,0|1,0,0]=3 20840 B13R1.1052 CC(=O)OCCOCCSC1CC1 62a_200000083610_100000211595 [0,1,0,1,0,0|1,0,0]=3 20841 B13R1.1052 CC(=O)OCCOCNCC1CC1 34a_100000735609_100000076355 [0,1,0,1,0,0|1,0,0]=3 20842 B13R1.1052 CC(=O)OCCOCOCC1CC1 34a_100000211283_100000076355 [0,1,0,1,0,0|1,0,0]=3 20843 B13R1.1052 CC(=O)OCCOCOC[C@@H]1CO1 34a_100000757423_100000076355 [0,1,0,1,0,0|2,0,0]=4 20844 B13R1.1052 CC(=O)OCCOCSCC1CC1 62a_100000076355_100000742324 [0,1,0,1,0,0|1,0,0]=3 20845 B13R1.1052 CC(=O)OCCOCSCC1CC1 62a_100000756562_100000076355 [0,1,0,1,0,0|1,0,0]=3 20846 B13R1.1052 CC(=O)OCCOCSCC1CO1 62a_100000076355_102125554688 [0,1,0,1,0,0|2,0,0]=4 20847 B13R1.1052 CC(=O)OCCOCSCC1CO1 62a_102125554688_100000076355 [0,1,0,1,0,0|2,0,0]=4 20848 B13R1.1052 CC(=O)OCCOCSCC1CS1 62a_100000031435_100000076355 [0,1,0,1,0,0|2,0,0]=4 20849 B13R1.1052 CC(=O)OCCOCSCC1CS1 62a_100000076355_100000031435 [0,1,0,1,0,0|2,0,0]=4 20850 B13R1.1052 CC(=O)OCCOCSC[C@@H]1CO1 62a_100000076355_100000745022 [0,1,0,1,0,0|2,0,0]=4 20851 B13R1.1052 CC(=O)OCCOCSC[C@@H]1CO1 62a_100000745022_100000076355 [0,1,0,1,0,0|2,0,0]=4 20852 B13R1.1052 CC(=O)OCCSCC#CC1CC1 62a_100009814007_100009895102 [0,1,0,1,0,0|0,0,2]=4 20853 B13R1.1052 CC(=O)OCCSCC#CC1CC1 62a_100009895102_100009814007 [0,1,0,1,0,0|0,0,2]=4 20854 B13R1.1052 CC(=O)OCCSCCCC1CO1 62a_100000733510_100009814007 [0,1,0,1,0,0|1,0,0]=3 20855 B13R1.1052 CC(=O)OCCSCCCC1CO1 62a_100009814007_100000733510 [0,1,0,1,0,0|1,0,0]=3 20856 B13R1.1052 CC(=O)SCCCCNCC1CC1 2230a_100000735609_200010402107 [0,1,0,1,0,0|0,1,0]=3 20857 B13R1.1052 CC(=O)SCCCCNCC1CC1 34a_100000735609_200010402107 [0,1,0,1,0,0|0,1,0]=3 20858 B13R1.1052 CC(=O)SCCCCOCC1CC1 34a_100000211283_200010402107 [0,1,0,1,0,0|0,1,0]=3 20859 B13R1.1052 CC(=O)SCCCCOC[C@@H]1CO1 34a_100000757423_200010402107 [0,1,0,1,0,0|1,1,0]=4 20860 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_100000756562_200010402107 [0,1,0,1,0,0|0,1,0]=3 20861 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_200010402107_100000742324 [0,1,0,1,0,0|0,1,0]=3 20862 B13R1.1052 CC(=O)SCCCCSCC1CO1 62a_102125554688_200010402107 [0,1,0,1,0,0|1,1,0]=4 20863 B13R1.1052 CC(=O)SCCCCSCC1CO1 62a_200010402107_102125554688 [0,1,0,1,0,0|1,1,0]=4 20864 B13R1.1052 CC(=O)SCCCCSCC1CS1 62a_100000031435_200010402107 [0,1,0,1,0,0|1,1,0]=4 20865 B13R1.1052 CC(=O)SCCCCSCC1CS1 62a_200010402107_100000031435 [0,1,0,1,0,0|1,1,0]=4 20866 B13R1.1052 CC(=O)SCCCCSC[C@@H]1CO1 62a_100000745022_200010402107 [0,1,0,1,0,0|1,1,0]=4 20867 B13R1.1052 CC(=O)SCCCCSC[C@@H]1CO1 62a_200010402107_100000745022 [0,1,0,1,0,0|1,1,0]=4 20868 B13R1.1052 CC(=O)SCCCNCCC1CC1 34a_100000764129_100000038929 [0,1,0,1,0,0|0,1,0]=3 20869 B13R1.1052 CC(=O)SCCCOCCC1CC1 34a_100000754188_100000038929 [0,1,0,1,0,0|0,1,0]=3 20870 B13R1.1052 CC(=O)SCCCOCCC1CC1 7a_100000754188_100000038929 [0,1,0,1,0,0|0,1,0]=3 20871 B13R1.1052 CC(=O)SCCCOCC[C@@H]1CO1 34a_100009820653_100000038929 [0,1,0,1,0,0|1,1,0]=4 20872 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000038929_100000764125 [0,1,0,1,0,0|0,1,0]=3 20873 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000764125_100000038929 [0,1,0,1,0,0|0,1,0]=3 20874 B13R1.1052 CC(=O)SCCCSCCC1CO1 62a_100000038929_100000732470 [0,1,0,1,0,0|1,1,0]=4 20875 B13R1.1052 CC(=O)SCCCSCCC1CO1 62a_100000732470_100000038929 [0,1,0,1,0,0|1,1,0]=4 20876 B13R1.1052 CC(=S)OCCCNCCC1CC1 34a_100000764129_200135323944 [0,1,0,1,0,0|0,1,0]=3 20877 B13R1.1052 CC(=S)OCCCOCCC1CC1 34a_100000754188_200135323944 [0,1,0,1,0,0|0,1,0]=3 20878 B13R1.1052 CC(=S)OCCCOCCC1CC1 7a_100000754188_200135323944 [0,1,0,1,0,0|0,1,0]=3 20879 B13R1.1052 CC(=S)OCCCOCC[C@@H]1CO1 34a_100009820653_200135323944 [0,1,0,1,0,0|1,1,0]=4 20880 B13R1.1052 CC(=S)OCCCSCCC1CC1 62a_100000764125_200135323944 [0,1,0,1,0,0|0,1,0]=3 20881 B13R1.1052 CC(=S)OCCCSCCC1CC1 62a_200135323944_100000764125 [0,1,0,1,0,0|0,1,0]=3 20882 B13R1.1052 CC(=S)OCCCSCCC1CO1 62a_100000732470_200135323944 [0,1,0,1,0,0|1,1,0]=4 20883 B13R1.1052 CC(=S)OCCCSCCC1CO1 62a_200135323944_100000732470 [0,1,0,1,0,0|1,1,0]=4 20884 B13R1.1052 CC(C)OCCCNCCC1CC1 2230a_100000737246_100000694398 [0,1,0,1,0,0|1,0,1]=4 20885 B13R1.1052 CC(C)OCCCNCCC1CC1 34a_100000737246_100000694398 [0,1,0,1,0,0|1,0,1]=4 20886 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [0,1,0,1,0,0|2,0,0]=4 20887 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [0,1,0,1,0,0|2,0,0]=4 20888 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [0,1,0,1,0,0|2,0,0]=4 20889 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [0,1,0,1,0,0|2,0,0]=4 20890 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [0,1,0,1,0,0|2,0,0]=4 20891 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [0,1,0,1,0,0|2,0,0]=4 20892 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [0,1,0,1,0,0|2,0,0]=4 20893 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [0,1,0,1,0,0|2,0,0]=4 20894 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [0,1,0,1,0,0|2,0,0]=4 20895 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [0,1,0,1,0,0|2,0,0]=4 20896 B13R1.1052 NC(=O)COCCNCCC1CC1 34a_100000764129_100000076697 [0,1,0,1,0,0|2,0,0]=4 20897 B13R1.1052 NC(=O)COCCOCCC1CC1 34a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 20898 B13R1.1052 NC(=O)COCCOCCC1CC1 7a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 20899 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000076697_100000764125 [0,1,0,1,0,0|2,0,0]=4 20900 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000764125_100000076697 [0,1,0,1,0,0|2,0,0]=4 20901 B13R1.1052 NC(=O)OCCOCCCC1CO1 7a_100000766696_100000733510 [0,1,0,1,0,0|2,0,0]=4 20902 B13R1.1052 NC(=O)OCCOCCNC1CC1 34a_100000738766_200011214921 [0,1,0,1,0,0|2,0,0]=4 20903 B13R1.1052 NC(=O)OCCSCCCC1CO1 62a_100000733510_200011214921 [0,1,0,1,0,0|2,0,0]=4 20904 B13R1.1052 NC(=O)OCCSCCCC1CO1 62a_200011214921_100000733510 [0,1,0,1,0,0|2,0,0]=4 20905 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,1,0,1,0,0|2,0,0]=4 20906 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [0,1,0,1,0,0|2,0,0]=4 20907 B13R1.1052 O=[N+]([O-])OCCCCNCC1CC1 34a_100000735609_100015694321 [0,1,0,1,0,0|2,0,0]=4 20908 B13R1.1052 O=[N+]([O-])OCCCCOCC1CC1 34a_100000211283_100015694321 [0,1,0,1,0,0|2,0,0]=4 20909 B13R1.1052 O=[N+]([O-])OCCCCSCC1CC1 62a_100000756562_100015694321 [0,1,0,1,0,0|2,0,0]=4 20910 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,1,0,1,0,0|1,0,0]=3 20911 B13R1.1148 CCOCCN1CCCNC(=O)C1 2230a_100015190381_100011215890 [0,1,0,1,0,0|2,0,0]=4 20912 B13R1.1148 CCSCCN1CCCNC(=O)C1 2230a_100015190381_100000757381 [0,1,0,1,0,0|2,0,0]=4 20913 B13R1.1148 COCCCN1CCCNC(=O)C1 2230a_100015190381_100000740836 [0,1,0,1,0,0|2,0,0]=4 20914 B13R1.1148 O=C1CN(CCCN1)CCCCF 2230a_100015190381_100000729493 [0,1,0,1,0,0|2,0,0]=4 20915 B13R1.1148 O=C1CN(CCCN1)CCCCO 2230a_100015190381_100000210776 [0,1,0,1,0,0|2,0,0]=4 20916 B13R1.2852 CCCNN=C1CCC1OC(=O)C 4a_100000740057_100010634149 [0,1,0,1,0,0|1,0,1]=4 20917 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|2,0,0]=4 20918 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [0,1,0,1,0,0|2,0,0]=4 20919 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [0,1,0,1,0,0|2,0,0]=4 20920 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [0,1,0,1,0,0|2,0,0]=4 20921 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [0,1,0,1,0,0|2,0,0]=4 20922 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [0,1,0,1,0,0|2,0,0]=4 20923 B13R1.9 CCCCCOC1CNC(=O)NC1 34a_100000080929_100000718602 [0,1,0,1,0,0|2,0,0]=4 20924 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [0,1,0,1,0,0|2,0,0]=4 20925 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [0,1,0,1,0,0|2,0,0]=4 20926 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [0,1,0,1,0,0|2,0,0]=4 20927 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [0,1,0,1,0,0|2,0,0]=4 20928 B13R1.16 CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210303 [0,1,0,1,0,0|2,0,0]=4 20929 B13R1.16 CCCNCC1CCCC(=O)N1C 34a_200010383782_100000210303 [0,1,0,1,0,0|2,0,0]=4 20930 B13R1.91 C#CC(C)OC1CCCCC1CC 34a_100000210738_200000035995 [0,1,0,1,0,0|1,0,1]=4 20931 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [0,1,0,1,0,0|2,0,0]=4 20932 B13R1.91 CCC(=O)NC1CCCCC1OC 11a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 20933 B13R1.91 CCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 20934 B13R1.91 CCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 20935 B13R1.91 CCC(=O)NC1CCCCC1OC 527a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 20936 B13R1.91 CCC(C)OC1CCCCC1CC 34a_100000210738_100011215416 [0,1,0,1,0,0|1,0,1]=4 20937 B13R1.91 CCC(C)OC1CCCCC1CC 7a_100000210738_100000758301 [0,1,0,1,0,0|1,0,1]=4 20938 B13R1.91 CCC1CCCCC1OC(C)C#N 7a_100000210738_100000703298 [0,1,0,1,0,0|1,0,1]=4 20939 B13R1.91 CCC1CCCCC1OC(C)CO 34a_100000210738_100012180447 [0,1,0,1,0,0|0,0,2]=4 20940 B13R1.91 CCC1CCCCC1OC(C)CO 7a_100000210738_100012180447 [0,1,0,1,0,0|0,0,2]=4 20941 B13R1.91 CCC1CCCCN1CC(=O)NC 2230a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 20942 B13R1.91 CCC1CCCCN1CC(=O)NC 269982a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 20943 B13R1.91 CCC1CCCCN1CC(=O)NC 34a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 20944 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|2,0,0]=4 20945 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|2,0,0]=4 20946 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|2,0,0]=4 20947 B13R1.91 CNC(=O)NC1CCCCC1OC 2708a_100011208099_106832991635 [0,1,0,1,0,0|2,0,0]=4 20948 B13R1.91 CNC(=O)NC1CCCCC1OC 2708a_100102657272_100011208099 [0,1,0,1,0,0|2,0,0]=4 20949 B13R1.91 CNC(=O)NC1CCCCC1OC 273464a_100011208099_100102657272 [0,1,0,1,0,0|2,0,0]=4 20950 B13R1.91 CNC(=O)NC1CCCCC1OC 273464a_100102657272_100011208099 [0,1,0,1,0,0|2,0,0]=4 20951 B13R1.91 CNC(=O)NC1CCCCC1OC 512a_100011208099_100102657272 [0,1,0,1,0,0|2,0,0]=4 20952 B13R1.91 CNC(=O)NC1CCCCC1OC 512a_106832991638_100011208099 [0,1,0,1,0,0|2,0,0]=4 20953 B13R1.91 COC1CCCCC1NC(=O)CO 240690a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 20954 B13R1.91 COC1CCCCC1NC(=O)CO 527a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 20955 B13R1.382 C=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000185746 [0,1,0,1,0,0|1,0,1]=4 20956 B13R1.382 C=CC(=O)N1CCCCC1CCC 240690a_100000701414_200121576911 [0,1,0,1,0,0|1,0,1]=4 20957 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [0,1,0,1,0,0|2,0,0]=4 20958 B13R1.382 CCC(=O)N1CCCCC1COC 11a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 20959 B13R1.382 CCC(=O)N1CCCCC1COC 1626a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 20960 B13R1.382 CCC(=O)N1CCCCC1COC 240690a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 20961 B13R1.382 CCC(=O)N1CCCCC1COC 527a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 20962 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 20963 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 20964 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 20965 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 20966 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 20967 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 20968 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [0,1,0,1,0,0|1,0,0]=3 20969 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [0,1,0,1,0,0|1,0,0]=3 20970 B13R1.382 CCCC1COCCN1C(=O)CC 11a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 20971 B13R1.382 CCCC1COCCN1C(=O)CC 1626a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 20972 B13R1.382 CCCC1COCCN1C(=O)CC 240690a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 20973 B13R1.382 CCCC1COCCN1C(=O)CC 527a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 20974 B13R1.382 CCCC1COCCN1C(=O)CO 240690a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 20975 B13R1.382 CCCC1COCCN1C(=O)CO 527a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 20976 B13R1.382 CCCC1COCCN1C(=O)NC 2708a_100102657272_102495339903 [0,1,0,1,0,0|2,0,0]=4 20977 B13R1.382 CCCC1COCCN1C(=O)NC 273464a_100102657272_102495339903 [0,1,0,1,0,0|2,0,0]=4 20978 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [0,1,0,1,0,0|2,0,0]=4 20979 B13R1.382 CCCN1CCCCC1C(=O)CF 1458a_100000743559_100015361967 [0,1,0,1,0,0|2,0,0]=4 20980 B13R1.382 CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210303 [0,1,0,1,0,0|2,0,0]=4 20981 B13R1.382 CCCN1CCCCC1C(=O)NC 240690a_100102657272_100000743559 [0,1,0,1,0,0|2,0,0]=4 20982 B13R1.382 CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210303 [0,1,0,1,0,0|2,0,0]=4 20983 B13R1.382 CCCN1CCCCC1C(=O)NC 34a_100011209383_100000210303 [0,1,0,1,0,0|2,0,0]=4 20984 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [0,1,0,1,0,0|2,0,0]=4 20985 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [0,1,0,1,0,0|2,0,0]=4 20986 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [0,1,0,1,0,0|2,0,0]=4 20987 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [0,1,0,1,0,0|2,0,0]=4 20988 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [0,1,0,1,0,0|2,0,0]=4 20989 B13R1.382 CNC(=O)N1CCCCC1CCO 2708a_100102657272_100000211664 [0,1,0,1,0,0|2,0,0]=4 20990 B13R1.382 CNC(=O)N1CCCCC1CCO 273464a_100102657272_100000211664 [0,1,0,1,0,0|2,0,0]=4 20991 B13R1.382 CNC(=O)N1CCCCC1COC 2708a_100102657272_100015184032 [0,1,0,1,0,0|2,0,0]=4 20992 B13R1.382 CNC(=O)N1CCCCC1COC 273464a_100102657272_100015184032 [0,1,0,1,0,0|2,0,0]=4 20993 B13R1.382 COCC1CCCCN1C(=O)CO 240690a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 20994 B13R1.382 COCC1CCCCN1C(=O)CO 527a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 20995 B13R1.382 O=C(CO)N1CCCCC1CCO 240690a_100000211664_100000210174 [0,1,0,1,0,0|2,0,0]=4 20996 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [0,1,0,1,0,0|2,0,0]=4 20997 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [0,1,0,1,0,0|2,0,0]=4 20998 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [0,1,0,1,0,0|2,0,0]=4 20999 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,1,0,1,0,0|2,0,0]=4 21000 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,1,0,1,0,0|2,0,0]=4 21001 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,1,0,1,0,0|2,0,0]=4 21002 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,1,0,1,0,0|2,0,0]=4 21003 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,1,0,1,0,0|2,0,0]=4 21004 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,1,0,1,0,0|2,0,0]=4 21005 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,1,0,1,0,0|2,0,0]=4 21006 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [0,1,0,1,0,0|2,0,0]=4 21007 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [0,1,0,1,0,0|2,0,0]=4 21008 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [0,1,0,1,0,0|2,0,0]=4 21009 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|2,0,0]=4 21010 B13R1.528 CN1CCCCC1CNC(=O)CO 240690a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 21011 B13R1.528 CN1CCCCC1CNC(=O)CO 527a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 21012 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [0,1,0,1,0,0|2,0,0]=4 21013 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [0,1,0,1,0,0|2,0,0]=4 21014 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [0,1,0,1,0,0|2,0,0]=4 21015 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [0,1,0,1,0,0|2,0,0]=4 21016 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [0,1,0,1,0,0|2,0,0]=4 21017 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [0,1,0,1,0,0|2,0,0]=4 21018 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,1,0,1,0,0|2,0,0]=4 21019 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,1,0,1,0,0|2,0,0]=4 21020 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,1,0,1,0,0|2,0,0]=4 21021 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,1,0,1,0,0|2,0,0]=4 21022 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,1,0,1,0,0|2,0,0]=4 21023 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 21024 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 21025 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,1,0,1,0,0|2,0,0]=4 21026 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 21027 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,1,0,1,0,0|2,0,0]=4 21028 B13R1.528 CNC(=O)NCC1CCCCC1O 2708a_100102657272_100011216029 [0,1,0,1,0,0|2,0,0]=4 21029 B13R1.528 CNC(=O)NCC1CCCCC1O 273464a_100102657272_100011216029 [0,1,0,1,0,0|2,0,0]=4 21030 B13R1.528 CNC(=O)NCC1CCCCC1O 512a_106832991638_100011216029 [0,1,0,1,0,0|2,0,0]=4 21031 B13R1.528 CNC(=O)NCC1CCCCN1C 2708a_100011228421_106832991635 [0,1,0,1,0,0|2,0,0]=4 21032 B13R1.528 CNC(=O)NCC1CCCCN1C 2708a_100102657272_100011228421 [0,1,0,1,0,0|2,0,0]=4 21033 B13R1.528 CNC(=O)NCC1CCCCN1C 273464a_100011228421_100102657272 [0,1,0,1,0,0|2,0,0]=4 21034 B13R1.528 CNC(=O)NCC1CCCCN1C 273464a_100102657272_100011228421 [0,1,0,1,0,0|2,0,0]=4 21035 B13R1.528 CNC(=O)NCC1CCCCN1C 512a_100011228421_100102657272 [0,1,0,1,0,0|2,0,0]=4 21036 B13R1.528 CNC(=O)NCC1CCCCN1C 512a_106832991638_100011228421 [0,1,0,1,0,0|2,0,0]=4 21037 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|2,0,0]=4 21038 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|2,0,0]=4 21039 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|2,0,0]=4 21040 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|2,0,0]=4 21041 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|2,0,0]=4 21042 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|2,0,0]=4 21043 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|2,0,0]=4 21044 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 21045 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 21046 B13R1.536 C#CC(C)OCCCC1CCCC1 34a_100011215328_200000035995 [0,1,0,1,0,0|1,0,1]=4 21047 B13R1.536 C#C[C@@H](C)OCCCC1CCCC1 34a_100009815206_100011713738 [0,1,0,1,0,0|1,0,1]=4 21048 B13R1.536 C#C[C@@H](C)OCCCC1CCCC1 7a_100009815206_100011713738 [0,1,0,1,0,0|1,0,1]=4 21049 B13R1.536 C=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000185746 [0,1,0,1,0,0|1,0,1]=4 21050 B13R1.536 C=CC(=O)NCCCC1CCCC1 240690a_100000736752_200121576911 [0,1,0,1,0,0|1,0,1]=4 21051 B13R1.536 C=CC(=O)OCCNC1CCCC1 2230a_100000211070_100009813456 [0,1,0,1,0,0|1,0,1]=4 21052 B13R1.536 C=CC(=O)OCCNC1CCCC1 34a_100000211070_100009813456 [0,1,0,1,0,0|1,0,1]=4 21053 B13R1.536 C=CC(=O)OCCOC1CCCC1 34a_100000210269_100009813456 [0,1,0,1,0,0|1,0,1]=4 21054 B13R1.536 C=CC(=O)OCCOC1CCCC1 7a_100000210269_100009813456 [0,1,0,1,0,0|1,0,1]=4 21055 B13R1.536 C=CC(=O)OCCSC1CCCC1 62a_100009813456_100000179811 [0,1,0,1,0,0|1,0,1]=4 21056 B13R1.536 C=CC(=O)OCCSC1CCCC1 62a_100011217020_100009813456 [0,1,0,1,0,0|1,0,1]=4 21057 B13R1.536 C=CC(C)OCCCC1CCCC1 34a_100000695699_100011713738 [0,1,0,1,0,0|1,0,1]=4 21058 B13R1.536 CC(C#N)OCCCC1CCCC1 34a_100011218135_100011713738 [0,1,0,1,0,0|1,0,1]=4 21059 B13R1.536 CC(C#N)OCCCC1CCCC1 7a_100011215328_100000703298 [0,1,0,1,0,0|1,0,1]=4 21060 B13R1.536 CC(CF)OCCCC1CCCC1 34a_100016041109_100011713738 [0,1,0,1,0,0|1,0,1]=4 21061 B13R1.536 CC(CF)OCCCC1CCCC1 7a_100016041109_100011713738 [0,1,0,1,0,0|1,0,1]=4 21062 B13R1.536 CC(CN)OCCCC1CCCC1 34a_100000210904_100011713738 [0,1,0,1,0,0|1,0,1]=4 21063 B13R1.536 CC(CO)OCCCC1CCCC1 34a_100011215328_100012180447 [0,1,0,1,0,0|0,0,2]=4 21064 B13R1.536 CC(CO)OCCCC1CCCC1 7a_100011215328_100012180447 [0,1,0,1,0,0|0,0,2]=4 21065 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [0,1,0,1,0,0|2,0,0]=4 21066 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [0,1,0,1,0,0|2,0,0]=4 21067 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [0,1,0,1,0,0|2,0,0]=4 21068 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [0,1,0,1,0,0|2,0,0]=4 21069 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 21070 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 21071 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 21072 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 21073 B13R1.536 CCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210414 [0,1,0,1,0,0|2,0,0]=4 21074 B13R1.536 CCC(=O)NCCNC1CCCC1 270004a_100132302217_100000210133 [0,1,0,1,0,0|2,0,0]=4 21075 B13R1.536 CCC(=O)NCCNC1CCCC1 34a_100132302217_100000179811 [0,1,0,1,0,0|2,0,0]=4 21076 B13R1.536 CCC(=O)NCCOC1CCCC1 11a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 21077 B13R1.536 CCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 21078 B13R1.536 CCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 21079 B13R1.536 CCC(=O)NCCOC1CCCC1 34a_200000158885_100000179811 [0,1,0,1,0,0|2,0,0]=4 21080 B13R1.536 CCC(=O)NCCOC1CCCC1 527a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 21081 B13R1.536 CCC(=O)NCCOC1CCCC1 7a_200000158885_100000179811 [0,1,0,1,0,0|2,0,0]=4 21082 B13R1.536 CCC(=O)OCCOC1CCCC1 7a_200000031056_100000179811 [0,1,0,1,0,0|1,0,0]=3 21083 B13R1.536 CCC(=O)OCCOC1CCOC1 7a_200000031056_100000731011 [0,1,0,1,0,0|2,0,0]=4 21084 B13R1.536 CCC(C)OCCCC1CCCC1 34a_100011215328_100011215416 [0,1,0,1,0,0|1,0,1]=4 21085 B13R1.536 CCC(C)OCCCC1CCCC1 7a_100000210228_100011713738 [0,1,0,1,0,0|1,0,1]=4 21086 B13R1.536 CCC(C)OCCCC1CCCC1 7a_100011215328_100000758301 [0,1,0,1,0,0|1,0,1]=4 21087 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000211070_100000741757 [0,1,0,1,0,0|2,0,0]=4 21088 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000740002_100000179811 [0,1,0,1,0,0|2,0,0]=4 21089 B13R1.536 CNC(=O)CCCNC1CCCC1 270004a_100000740002_100000210133 [0,1,0,1,0,0|2,0,0]=4 21090 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000211070_100000741757 [0,1,0,1,0,0|2,0,0]=4 21091 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000740002_100000179811 [0,1,0,1,0,0|2,0,0]=4 21092 B13R1.536 CNC(=O)CCCOC1CCCC1 34a_100000210269_100000741757 [0,1,0,1,0,0|2,0,0]=4 21093 B13R1.536 CNC(=O)CCCOC1CCCC1 7a_100000210269_100000741757 [0,1,0,1,0,0|2,0,0]=4 21094 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100000741757_100000179811 [0,1,0,1,0,0|2,0,0]=4 21095 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100011217020_100000741757 [0,1,0,1,0,0|2,0,0]=4 21096 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737683 [0,1,0,1,0,0|2,0,0]=4 21097 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000738227_100000740388 [0,1,0,1,0,0|2,0,0]=4 21098 B13R1.536 CNC(=O)CCNCC1CCCC1 269862a_100000738227_100000746403 [0,1,0,1,0,0|2,0,0]=4 21099 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000737975_100012179268 [0,1,0,1,0,0|2,0,0]=4 21100 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000738227_100000740388 [0,1,0,1,0,0|2,0,0]=4 21101 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000742336_100012179268 [0,1,0,1,0,0|2,0,0]=4 21102 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000754576_100000740388 [0,1,0,1,0,0|2,0,0]=4 21103 B13R1.536 CNC(=O)CCOCC1CCCC1 7a_100000742336_100000737683 [0,1,0,1,0,0|2,0,0]=4 21104 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000737683_100000740388 [0,1,0,1,0,0|2,0,0]=4 21105 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000740388_100000737683 [0,1,0,1,0,0|2,0,0]=4 21106 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000693194_100000760354 [0,1,0,1,0,0|2,0,0]=4 21107 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183359 [0,1,0,1,0,0|2,0,0]=4 21108 B13R1.536 CNC(=O)CNCCC1CCCC1 34a_100000739158_100000183359 [0,1,0,1,0,0|2,0,0]=4 21109 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000749090_100000183359 [0,1,0,1,0,0|2,0,0]=4 21110 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000750040_100000760354 [0,1,0,1,0,0|2,0,0]=4 21111 B13R1.536 CNC(=O)COCCC1CCCC1 7a_100000749090_100000183359 [0,1,0,1,0,0|2,0,0]=4 21112 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000183359_100000760354 [0,1,0,1,0,0|2,0,0]=4 21113 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000760354_100000183359 [0,1,0,1,0,0|2,0,0]=4 21114 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100000736752_106832991635 [0,1,0,1,0,0|1,0,0]=3 21115 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100102657272_100000736752 [0,1,0,1,0,0|1,0,0]=3 21116 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100000736752_100102657272 [0,1,0,1,0,0|1,0,0]=3 21117 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100102657272_100000736752 [0,1,0,1,0,0|1,0,0]=3 21118 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_100000736752_100102657272 [0,1,0,1,0,0|1,0,0]=3 21119 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_106832991638_100000736752 [0,1,0,1,0,0|1,0,0]=3 21120 B13R1.536 CNC(=O)NCCCN1CCCC1 2708a_100000204695_106832991635 [0,1,0,1,0,0|2,0,0]=4 21121 B13R1.536 CNC(=O)NCCCN1CCCC1 2708a_100102657272_100000204695 [0,1,0,1,0,0|2,0,0]=4 21122 B13R1.536 CNC(=O)NCCCN1CCCC1 273464a_100000204695_100102657272 [0,1,0,1,0,0|2,0,0]=4 21123 B13R1.536 CNC(=O)NCCCN1CCCC1 273464a_100102657272_100000204695 [0,1,0,1,0,0|2,0,0]=4 21124 B13R1.536 CNC(=O)NCCNC1CCCC1 34a_100015205895_100000179811 [0,1,0,1,0,0|2,0,0]=4 21125 B13R1.536 CNC(=O)NCCOC1CCCC1 2708a_100000741755_106832991635 [0,1,0,1,0,0|2,0,0]=4 21126 B13R1.536 CNC(=O)NCCOC1CCCC1 2708a_100102657272_100000741755 [0,1,0,1,0,0|2,0,0]=4 21127 B13R1.536 CNC(=O)NCCOC1CCCC1 273464a_100000741755_100102657272 [0,1,0,1,0,0|2,0,0]=4 21128 B13R1.536 CNC(=O)NCCOC1CCCC1 273464a_100102657272_100000741755 [0,1,0,1,0,0|2,0,0]=4 21129 B13R1.536 CNC(=O)NCCOC1CCCC1 512a_100000741755_100102657272 [0,1,0,1,0,0|2,0,0]=4 21130 B13R1.536 CNC(=O)NCCOC1CCCC1 512a_106832991638_100000741755 [0,1,0,1,0,0|2,0,0]=4 21131 B13R1.536 CNC(=O)OCCNC1CCCC1 34a_100000211070_200011997002 [0,1,0,1,0,0|1,0,0]=3 21132 B13R1.536 CNC(=O)OCCN[C@H]1CCOC1 34a_100015188467_200011997002 [0,1,0,1,0,0|2,0,0]=4 21133 B13R1.536 CNC(=O)OCCOC1CCCC1 34a_100000210269_200011997002 [0,1,0,1,0,0|1,0,0]=3 21134 B13R1.536 CNC(=O)OCCOC1CCCC1 7a_100000210269_200011997002 [0,1,0,1,0,0|1,0,0]=3 21135 B13R1.536 CNC(=O)OCCOC1CCCO1 34a_100000085407_200011997002 [0,1,0,1,0,0|2,0,0]=4 21136 B13R1.536 CNC(=O)OCCOC1CCSC1 7a_100011232664_200011997002 [0,1,0,1,0,0|2,0,0]=4 21137 B13R1.536 CNC(=O)OCCO[C@H]1CCOC1 34a_100000717292_200011997002 [0,1,0,1,0,0|2,0,0]=4 21138 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_100011217020_200011997002 [0,1,0,1,0,0|1,0,0]=3 21139 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_200011997002_100000179811 [0,1,0,1,0,0|1,0,0]=3 21140 B13R1.536 CNC(=O)OCCSC1CCOC1 62a_200011997002_100000690089 [0,1,0,1,0,0|2,0,0]=4 21141 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [0,1,0,1,0,0|2,0,0]=4 21142 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [0,1,0,1,0,0|2,0,0]=4 21143 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [0,1,0,1,0,0|2,0,0]=4 21144 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [0,1,0,1,0,0|2,0,0]=4 21145 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [0,1,0,1,0,0|2,0,0]=4 21146 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [0,1,0,1,0,0|2,0,0]=4 21147 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [0,1,0,1,0,0|2,0,0]=4 21148 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [0,1,0,1,0,0|2,0,0]=4 21149 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [0,1,0,1,0,0|2,0,0]=4 21150 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [0,1,0,1,0,0|2,0,0]=4 21151 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,1,0,1,0,0|2,0,0]=4 21152 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,1,0,1,0,0|2,0,0]=4 21153 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [0,1,0,1,0,0|2,0,0]=4 21154 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [0,1,0,1,0,0|2,0,0]=4 21155 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [0,1,0,1,0,0|2,0,0]=4 21156 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [0,1,0,1,0,0|2,0,0]=4 21157 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,1,0,1,0,0|2,0,0]=4 21158 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,1,0,1,0,0|2,0,0]=4 21159 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [0,1,0,1,0,0|2,0,0]=4 21160 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [0,1,0,1,0,0|2,0,0]=4 21161 B13R1.536 COC(=O)NCCOC1CCCC1 34a_100000757965_100000179811 [0,1,0,1,0,0|2,0,0]=4 21162 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [0,1,0,1,0,0|1,0,0]=3 21163 B13R1.536 COC(=O)OCCOC1CCOC1 34a_100010262106_100000690089 [0,1,0,1,0,0|2,0,0]=4 21164 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [0,1,0,1,0,0|1,0,0]=3 21165 B13R1.536 COC(=O)OCSCC1CCCO1 62a_100000203698_100000139417 [0,1,0,1,0,0|2,0,0]=4 21166 B13R1.536 COC(=O)OCSCC1CCOC1 62a_100000702531_100000139417 [0,1,0,1,0,0|2,0,0]=4 21167 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 21168 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 21169 B13R1.536 O=C(CO)NCCCN1CCCC1 240690a_100000204695_100000210174 [0,1,0,1,0,0|2,0,0]=4 21170 B13R1.536 O=C(CO)NCCOC1CCCC1 240690a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 21171 B13R1.536 O=C(CO)NCCOC1CCCC1 527a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 21172 B13R1.539 C=CC(=O)OCCNCC1CCC1 2230a_100000738700_100009813456 [0,1,0,1,0,0|1,0,1]=4 21173 B13R1.539 C=CC(=O)OCCNCC1CCC1 34a_100000738700_100009813456 [0,1,0,1,0,0|1,0,1]=4 21174 B13R1.539 C=CC(=O)OCCOCC1CCC1 34a_100000760304_100009813456 [0,1,0,1,0,0|1,0,1]=4 21175 B13R1.539 C=CC(=O)OCCSCC1CCC1 62a_100000763275_100009813456 [0,1,0,1,0,0|1,0,1]=4 21176 B13R1.539 C=CC(=O)OCCSCC1CCC1 62a_100009813456_100000763275 [0,1,0,1,0,0|1,0,1]=4 21177 B13R1.539 CCC(=O)NCCNCC1CCC1 269862a_100132302217_100000753134 [0,1,0,1,0,0|2,0,0]=4 21178 B13R1.539 CCC(=O)NCCNCC1CCC1 34a_100132302217_100000763275 [0,1,0,1,0,0|2,0,0]=4 21179 B13R1.539 CCC(=O)NCCOCC1CCC1 34a_200000158885_100000763275 [0,1,0,1,0,0|2,0,0]=4 21180 B13R1.539 CCC(=O)NCCOCC1CCC1 7a_200000158885_100000763275 [0,1,0,1,0,0|2,0,0]=4 21181 B13R1.539 CCC(=O)OCCOCC1CCC1 7a_200000031056_100000763275 [0,1,0,1,0,0|1,0,0]=3 21182 B13R1.539 CCC(=O)OCCOCC1CCO1 7a_200000031056_100000103362 [0,1,0,1,0,0|2,0,0]=4 21183 B13R1.539 CCC(=O)OCCOCC1COC1 7a_200000031056_100010264016 [0,1,0,1,0,0|2,0,0]=4 21184 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000738700_100000741757 [0,1,0,1,0,0|2,0,0]=4 21185 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000740002_100000763275 [0,1,0,1,0,0|2,0,0]=4 21186 B13R1.539 CNC(=O)CCCNCC1CCC1 269862a_100000740002_100000753134 [0,1,0,1,0,0|2,0,0]=4 21187 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000738700_100000741757 [0,1,0,1,0,0|2,0,0]=4 21188 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000740002_100000763275 [0,1,0,1,0,0|2,0,0]=4 21189 B13R1.539 CNC(=O)CCCOCC1CCC1 34a_100000760304_100000741757 [0,1,0,1,0,0|2,0,0]=4 21190 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000741757_100000763275 [0,1,0,1,0,0|2,0,0]=4 21191 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000763275_100000741757 [0,1,0,1,0,0|2,0,0]=4 21192 B13R1.539 CNC(=O)NCCNCC1CCC1 269862a_100015205895_100000753134 [0,1,0,1,0,0|2,0,0]=4 21193 B13R1.539 CNC(=O)NCCNCC1CCC1 34a_100015205895_100000763275 [0,1,0,1,0,0|2,0,0]=4 21194 B13R1.539 CNC(=O)OCCNCC1CCC1 34a_100000738700_200011997002 [0,1,0,1,0,0|1,0,0]=3 21195 B13R1.539 CNC(=O)OCCNCC1COC1 34a_100015281925_200011997002 [0,1,0,1,0,0|2,0,0]=4 21196 B13R1.539 CNC(=O)OCCNC[C@@H]1CCO1 34a_100020831831_200011997002 [0,1,0,1,0,0|2,0,0]=4 21197 B13R1.539 CNC(=O)OCCOCC1CCC1 34a_100000760304_200011997002 [0,1,0,1,0,0|1,0,0]=3 21198 B13R1.539 CNC(=O)OCCOCC1CCO1 34a_100000039022_200011997002 [0,1,0,1,0,0|2,0,0]=4 21199 B13R1.539 CNC(=O)OCCOCC1CNC1 34a_100016987283_200011997002 [0,1,0,1,0,0|2,0,0]=4 21200 B13R1.539 CNC(=O)OCCOCC1COC1 34a_100000060846_200011997002 [0,1,0,1,0,0|2,0,0]=4 21201 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_100000763275_200011997002 [0,1,0,1,0,0|1,0,0]=3 21202 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_200011997002_100000763275 [0,1,0,1,0,0|1,0,0]=3 21203 B13R1.539 CNC(=O)OCCSCC1CCO1 62a_100000103362_200011997002 [0,1,0,1,0,0|2,0,0]=4 21204 B13R1.539 CNC(=O)OCCSCC1CCO1 62a_200011997002_100000103362 [0,1,0,1,0,0|2,0,0]=4 21205 B13R1.539 CNC(=O)OCCSCC1COC1 62a_100010264016_200011997002 [0,1,0,1,0,0|2,0,0]=4 21206 B13R1.539 CNC(=O)OCCSCC1COC1 62a_200011997002_100010264016 [0,1,0,1,0,0|2,0,0]=4 21207 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [0,1,0,1,0,0|2,0,0]=4 21208 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [0,1,0,1,0,0|2,0,0]=4 21209 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [0,1,0,1,0,0|2,0,0]=4 21210 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [0,1,0,1,0,0|2,0,0]=4 21211 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [0,1,0,1,0,0|2,0,0]=4 21212 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [0,1,0,1,0,0|2,0,0]=4 21213 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [0,1,0,1,0,0|2,0,0]=4 21214 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [0,1,0,1,0,0|2,0,0]=4 21215 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [0,1,0,1,0,0|2,0,0]=4 21216 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [0,1,0,1,0,0|2,0,0]=4 21217 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [0,1,0,1,0,0|2,0,0]=4 21218 B13R1.539 COC(=O)NCCOCC1CCC1 34a_100000757965_100000763275 [0,1,0,1,0,0|2,0,0]=4 21219 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [0,1,0,1,0,0|1,0,0]=3 21220 B13R1.539 COC(=O)OCCOCC1CCO1 34a_100010262106_100000103362 [0,1,0,1,0,0|2,0,0]=4 21221 B13R1.539 COC(=O)OCCOCC1COC1 34a_100010262106_100010264016 [0,1,0,1,0,0|2,0,0]=4 21222 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [0,1,0,1,0,0|1,0,1]=4 21223 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [0,1,0,1,0,0|1,0,1]=4 21224 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [0,1,0,1,0,0|0,0,2]=4 21225 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [0,1,0,1,0,0|0,0,2]=4 21226 B13R1.560 CCCCCCCCOC1CSC1 7a_100000072292_100000210759 [0,1,0,1,0,0|0,1,1]=4 21227 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210211 [0,1,0,1,0,0|2,0,0]=4 21228 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210211 [0,1,0,1,0,0|2,0,0]=4 21229 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210210 [0,1,0,1,0,0|2,0,0]=4 21230 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [0,1,0,1,0,0|2,0,0]=4 21231 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [0,1,0,1,0,0|2,0,0]=4 21232 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [0,1,0,1,0,0|2,0,0]=4 21233 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [0,1,0,1,0,0|2,0,0]=4 21234 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [0,1,0,1,0,0|2,0,0]=4 21235 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [0,1,0,1,0,0|2,0,0]=4 21236 B13R1.599 C=CC(=O)OCCN1CCC[C@@H]1C 2230a_100020605311_100009813456 [0,1,0,1,0,0|1,0,1]=4 21237 B13R1.599 C=CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009813456 [0,1,0,1,0,0|1,0,1]=4 21238 B13R1.599 C=CC(=O)OCCN1CCC[C@H]1C 2230a_100015189458_100009813456 [0,1,0,1,0,0|1,0,1]=4 21239 B13R1.599 C=CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009813456 [0,1,0,1,0,0|1,0,1]=4 21240 B13R1.599 C=CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009813456 [0,1,0,1,0,0|1,0,1]=4 21241 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [0,1,0,1,0,0|2,0,0]=4 21242 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [0,1,0,1,0,0|2,0,0]=4 21243 B13R1.599 CN1CCCC1CCNC(=O)CO 240690a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 21244 B13R1.599 CN1CCCC1CCNC(=O)CO 527a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 21245 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100000741757 [0,1,0,1,0,0|2,0,0]=4 21246 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100000741757 [0,1,0,1,0,0|2,0,0]=4 21247 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100000741757 [0,1,0,1,0,0|2,0,0]=4 21248 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100000741757 [0,1,0,1,0,0|2,0,0]=4 21249 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000741757 [0,1,0,1,0,0|2,0,0]=4 21250 B13R1.599 CNC(=O)CCNC1CCCC1C 269862a_100000738227_100000752053 [0,1,0,1,0,0|2,0,0]=4 21251 B13R1.599 CNC(=O)CCOC1CCCC1C 34a_100011216460_100012179268 [0,1,0,1,0,0|2,0,0]=4 21252 B13R1.599 CNC(=O)CCOC1CCCC1C 7a_100011216460_100000737683 [0,1,0,1,0,0|2,0,0]=4 21253 B13R1.599 CNC(=O)NCCC1CCCN1C 2708a_100011219722_106832991635 [0,1,0,1,0,0|2,0,0]=4 21254 B13R1.599 CNC(=O)NCCC1CCCN1C 2708a_100102657272_100011219722 [0,1,0,1,0,0|2,0,0]=4 21255 B13R1.599 CNC(=O)NCCC1CCCN1C 273464a_100011219722_100102657272 [0,1,0,1,0,0|2,0,0]=4 21256 B13R1.599 CNC(=O)NCCC1CCCN1C 273464a_100102657272_100011219722 [0,1,0,1,0,0|2,0,0]=4 21257 B13R1.599 CNC(=O)NCCC1CCCN1C 512a_100011219722_100102657272 [0,1,0,1,0,0|2,0,0]=4 21258 B13R1.599 CNC(=O)NCCC1CCCN1C 512a_106832991638_100011219722 [0,1,0,1,0,0|2,0,0]=4 21259 B13R1.599 CNC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_200011997002 [0,1,0,1,0,0|1,0,0]=3 21260 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_200011997002 [0,1,0,1,0,0|1,0,0]=3 21261 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 34a_100015189458_200011997002 [0,1,0,1,0,0|1,0,0]=3 21262 B13R1.599 CNC(=O)OCCN1CCSC1C 269982a_200011216479_200011997002 [0,1,0,1,0,0|2,0,0]=4 21263 B13R1.599 CNC(=O)OCCN1CCSC1C 34a_200011216479_200011997002 [0,1,0,1,0,0|2,0,0]=4 21264 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [0,1,0,1,0,0|2,0,0]=4 21265 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [0,1,0,1,0,0|2,0,0]=4 21266 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [0,1,0,1,0,0|2,0,0]=4 21267 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [0,1,0,1,0,0|2,0,0]=4 21268 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [0,1,0,1,0,0|2,0,0]=4 21269 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [0,1,0,1,0,0|2,0,0]=4 21270 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [0,1,0,1,0,0|2,0,0]=4 21271 B13R1.599 COC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139417 [0,1,0,1,0,0|2,0,0]=4 21272 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 21273 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 21274 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 21275 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 21276 B13R1.613 CCC1CCCC1NCC(=O)NC 269862a_100000693194_100000749056 [0,1,0,1,0,0|2,0,0]=4 21277 B13R1.613 CCC1CCCC1NCC(=O)NC 270004a_100000693194_100000749056 [0,1,0,1,0,0|2,0,0]=4 21278 B13R1.613 CCC1CCCN1CCC(=O)NC 2230a_100000754278_100000737683 [0,1,0,1,0,0|2,0,0]=4 21279 B13R1.613 CCC1CCCN1CCC(=O)NC 269982a_100000754278_100000737683 [0,1,0,1,0,0|2,0,0]=4 21280 B13R1.613 CCC1CCCN1CCC(=O)NC 34a_100000754278_100012179268 [0,1,0,1,0,0|2,0,0]=4 21281 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [0,1,0,1,0,0|2,0,0]=4 21282 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [0,1,0,1,0,0|2,0,0]=4 21283 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [0,1,0,1,0,0|2,0,0]=4 21284 B13R1.613 CCN1CCCC1CNC(=O)CO 240690a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 21285 B13R1.613 CCN1CCCC1CNC(=O)CO 527a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 21286 B13R1.613 CCN1CCCC1CNC(=O)NC 2708a_100102657272_100000211693 [0,1,0,1,0,0|2,0,0]=4 21287 B13R1.613 CCN1CCCC1CNC(=O)NC 273464a_100000211693_100102657272 [0,1,0,1,0,0|2,0,0]=4 21288 B13R1.613 CCN1CCCC1CNC(=O)NC 273464a_100102657272_100000211693 [0,1,0,1,0,0|2,0,0]=4 21289 B13R1.613 CCN1CCCC1CNC(=O)NC 512a_100000211693_100102657272 [0,1,0,1,0,0|2,0,0]=4 21290 B13R1.613 CCN1CCCC1CNC(=O)NC 512a_106832991638_100000211693 [0,1,0,1,0,0|2,0,0]=4 21291 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|2,0,0]=4 21292 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|2,0,0]=4 21293 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|2,0,0]=4 21294 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|2,0,0]=4 21295 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|2,0,0]=4 21296 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|2,0,0]=4 21297 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|2,0,0]=4 21298 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|2,0,0]=4 21299 B13R1.718 C#CC(=O)CCCC1CCCCC1 1458a_100000211873_100011713725 [0,1,0,1,0,0|1,0,1]=4 21300 B13R1.718 C#CC(C)OCCC1CCCCC1 34a_100011217863_200000035995 [0,1,0,1,0,0|1,0,1]=4 21301 B13R1.718 C#C[C@@H](C)OCCC1CCCCC1 34a_100009815206_100011209188 [0,1,0,1,0,0|1,0,1]=4 21302 B13R1.718 C#C[C@@H](C)OCCC1CCCCC1 7a_100009815206_100011273959 [0,1,0,1,0,0|1,0,1]=4 21303 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,1,0,0|1,0,1]=4 21304 B13R1.718 C=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000185746 [0,1,0,1,0,0|1,0,1]=4 21305 B13R1.718 C=CC(=O)NCCC1CCCCC1 240690a_100000738074_200121576911 [0,1,0,1,0,0|1,0,1]=4 21306 B13R1.718 C=CC(C)OCCC1CCCCC1 34a_100000695699_100011209188 [0,1,0,1,0,0|1,0,1]=4 21307 B13R1.718 CC(C#N)OCCC1CCCCC1 34a_100011218135_100011209188 [0,1,0,1,0,0|1,0,1]=4 21308 B13R1.718 CC(C#N)OCCC1CCCCC1 7a_100011217863_100000703298 [0,1,0,1,0,0|1,0,1]=4 21309 B13R1.718 CC(CF)OCCC1CCCCC1 34a_100016041109_100011209188 [0,1,0,1,0,0|1,0,1]=4 21310 B13R1.718 CC(CF)OCCC1CCCCC1 7a_100016041109_100011273959 [0,1,0,1,0,0|1,0,1]=4 21311 B13R1.718 CC(CN)OCCC1CCCCC1 34a_100000210904_100011209188 [0,1,0,1,0,0|1,0,1]=4 21312 B13R1.718 CC(CO)OCCC1CCCCC1 34a_100011217863_100012180447 [0,1,0,1,0,0|0,0,2]=4 21313 B13R1.718 CC(CO)OCCC1CCCCC1 7a_100011217863_100012180447 [0,1,0,1,0,0|0,0,2]=4 21314 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,1,0,0|1,0,0]=3 21315 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,1,0,0|1,0,0]=3 21316 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [0,1,0,1,0,0|2,0,0]=4 21317 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [0,1,0,1,0,0|2,0,0]=4 21318 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,1,0,1,0,0|2,0,0]=4 21319 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,1,0,1,0,0|2,0,0]=4 21320 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,1,0,1,0,0|2,0,0]=4 21321 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,1,0,1,0,0|2,0,0]=4 21322 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,1,0,1,0,0|2,0,0]=4 21323 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21324 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21325 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21326 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21327 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21328 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21329 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21330 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21331 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21332 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21333 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21334 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21335 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [0,1,0,1,0,0|2,0,0]=4 21336 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [0,1,0,1,0,0|2,0,0]=4 21337 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [0,1,0,1,0,0|2,0,0]=4 21338 B13R1.718 CCC(C)OCCC1CCCCC1 34a_100011217863_100011215416 [0,1,0,1,0,0|1,0,1]=4 21339 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100000210228_100011273959 [0,1,0,1,0,0|1,0,1]=4 21340 B13R1.718 CCC(C)OCCC1CCCCC1 7a_100011217863_100000758301 [0,1,0,1,0,0|1,0,1]=4 21341 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [0,1,0,1,0,0|1,0,0]=3 21342 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 21343 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 21344 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 21345 B13R1.718 CNC(=O)CCCN1CCCCC1 240690a_100102657272_100000742516 [0,1,0,1,0,0|2,0,0]=4 21346 B13R1.718 CNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737683 [0,1,0,1,0,0|2,0,0]=4 21347 B13R1.718 CNC(=O)CCNC1CCCCC1 270004a_100000738227_100000210434 [0,1,0,1,0,0|2,0,0]=4 21348 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000182618_100012179268 [0,1,0,1,0,0|2,0,0]=4 21349 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000738227_100000210327 [0,1,0,1,0,0|2,0,0]=4 21350 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000210231_100012179268 [0,1,0,1,0,0|2,0,0]=4 21351 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000754576_100000210327 [0,1,0,1,0,0|2,0,0]=4 21352 B13R1.718 CNC(=O)CCOC1CCCCC1 7a_100000210231_100000737683 [0,1,0,1,0,0|2,0,0]=4 21353 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000210327_100000737683 [0,1,0,1,0,0|2,0,0]=4 21354 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000737683_100000210327 [0,1,0,1,0,0|2,0,0]=4 21355 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183359 [0,1,0,1,0,0|2,0,0]=4 21356 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000693194_100000211423 [0,1,0,1,0,0|2,0,0]=4 21357 B13R1.718 CNC(=O)CNCC1CCCCC1 269862a_100000693194_100000211278 [0,1,0,1,0,0|2,0,0]=4 21358 B13R1.718 CNC(=O)CNCC1CCCCC1 34a_100000210473_100000183359 [0,1,0,1,0,0|2,0,0]=4 21359 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [0,1,0,1,0,0|2,0,0]=4 21360 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [0,1,0,1,0,0|2,0,0]=4 21361 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [0,1,0,1,0,0|2,0,0]=4 21362 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000183359_100000211423 [0,1,0,1,0,0|2,0,0]=4 21363 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000211423_100000183359 [0,1,0,1,0,0|2,0,0]=4 21364 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [0,1,0,1,0,0|1,0,0]=3 21365 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [0,1,0,1,0,0|1,0,0]=3 21366 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [0,1,0,1,0,0|1,0,0]=3 21367 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [0,1,0,1,0,0|1,0,0]=3 21368 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [0,1,0,1,0,0|1,0,0]=3 21369 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [0,1,0,1,0,0|1,0,0]=3 21370 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100015183643_106832991635 [0,1,0,1,0,0|2,0,0]=4 21371 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100102657272_100015183643 [0,1,0,1,0,0|2,0,0]=4 21372 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100015183643_100102657272 [0,1,0,1,0,0|2,0,0]=4 21373 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100102657272_100015183643 [0,1,0,1,0,0|2,0,0]=4 21374 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_100015183643_100102657272 [0,1,0,1,0,0|2,0,0]=4 21375 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_106832991638_100015183643 [0,1,0,1,0,0|2,0,0]=4 21376 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100000755988_106832991635 [0,1,0,1,0,0|2,0,0]=4 21377 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100102657272_100000755988 [0,1,0,1,0,0|2,0,0]=4 21378 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100000755988_100102657272 [0,1,0,1,0,0|2,0,0]=4 21379 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100102657272_100000755988 [0,1,0,1,0,0|2,0,0]=4 21380 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_100000755988_100102657272 [0,1,0,1,0,0|2,0,0]=4 21381 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_106832991638_100000755988 [0,1,0,1,0,0|2,0,0]=4 21382 B13R1.718 CNC(=O)NCCN1CCCCC1 2708a_100102657272_100000216509 [0,1,0,1,0,0|2,0,0]=4 21383 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100000216509_100102657272 [0,1,0,1,0,0|2,0,0]=4 21384 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100102657272_100000216509 [0,1,0,1,0,0|2,0,0]=4 21385 B13R1.718 CNC(=O)NNCC1CCCCC1 273464a_100102657272_100000740227 [0,1,0,1,0,0|2,0,0]=4 21386 B13R1.718 CNC(=O)NNCC1CCCCC1 512a_106832991638_100000740227 [0,1,0,1,0,0|2,0,0]=4 21387 B13R1.718 CNC(=O)OCCN1CCCOC1 269982a_100000131196_200011997002 [0,1,0,1,0,0|2,0,0]=4 21388 B13R1.718 CNC(=O)OCCN1CCCOC1 34a_100000131196_200011997002 [0,1,0,1,0,0|2,0,0]=4 21389 B13R1.718 CNC(=O)OCCN1CCOCC1 269982a_100015191051_200011997002 [0,1,0,1,0,0|2,0,0]=4 21390 B13R1.718 CNC(=O)OCCN1CCOCC1 34a_100015191051_200011997002 [0,1,0,1,0,0|2,0,0]=4 21391 B13R1.718 CNC(=O)OCCN1CCSCC1 269982a_100000737611_200011997002 [0,1,0,1,0,0|2,0,0]=4 21392 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,1,0,0|2,0,0]=4 21393 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,1,0,0|2,0,0]=4 21394 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,1,0,0|2,0,0]=4 21395 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,1,0,0|2,0,0]=4 21396 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,1,0,0|2,0,0]=4 21397 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,1,0,0|2,0,0]=4 21398 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,1,0,0|2,0,0]=4 21399 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,1,0,0|2,0,0]=4 21400 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,1,0,0|2,0,0]=4 21401 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,1,0,0|2,0,0]=4 21402 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,1,0,0|2,0,0]=4 21403 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,1,0,0|2,0,0]=4 21404 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,1,0,1,0,0|1,0,0]=3 21405 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,1,0,0|1,0,0]=3 21406 B13R1.718 O=C(CF)CCCN1CCCCC1 1458a_100000742516_100015361967 [0,1,0,1,0,0|2,0,0]=4 21407 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|1,0,0]=3 21408 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|2,0,0]=4 21409 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|2,0,0]=4 21410 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 21411 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 21412 B13R1.718 O=C(CO)NCCC1CCCCO1 240690a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 21413 B13R1.718 O=C(CO)NCCC1CCCCO1 527a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 21414 B13R1.718 O=C(CO)NCCC1CCOCC1 240690a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 21415 B13R1.718 O=C(CO)NCCC1CCOCC1 527a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 21416 B13R1.718 O=C(CO)NCCN1CCCCC1 240690a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 21417 B13R1.718 O=C(CO)NCCN1CCCCC1 527a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 21418 B13R1.718 O=C(CO)NNCC1CCCCC1 22a_100000740227_100000210174 [0,1,0,1,0,0|2,0,0]=4 21419 B13R1.1689 C=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000185746 [0,1,0,1,0,0|1,0,1]=4 21420 B13R1.1689 C=CC(=O)N1CCCCCCCC1 240690a_100000039187_200121576911 [0,1,0,1,0,0|1,0,1]=4 21421 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 21422 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 21423 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 21424 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 21425 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [0,1,0,1,0,0|1,0,0]=3 21426 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [0,1,0,1,0,0|1,0,0]=3 21427 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 21428 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 21429 B13R1.1711 C#CC(C)OCC1CCCCCC1 34a_100000699130_200000035995 [0,1,0,1,0,0|1,0,1]=4 21430 B13R1.1711 C#C[C@@H](C)OCC1CCCCCC1 34a_100009815206_200000696569 [0,1,0,1,0,0|1,0,1]=4 21431 B13R1.1711 C#C[C@@H](C)OCC1CCCCCC1 7a_100009815206_200000696569 [0,1,0,1,0,0|1,0,1]=4 21432 B13R1.1711 C=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000185746 [0,1,0,1,0,0|1,0,1]=4 21433 B13R1.1711 C=CC(=O)NCC1CCCCCC1 240690a_100015204231_200121576911 [0,1,0,1,0,0|1,0,1]=4 21434 B13R1.1711 C=CC(C)OCC1CCCCCC1 34a_100000695699_200000696569 [0,1,0,1,0,0|1,0,1]=4 21435 B13R1.1711 CC(C#N)OCC1CCCCCC1 34a_100011218135_200000696569 [0,1,0,1,0,0|1,0,1]=4 21436 B13R1.1711 CC(C#N)OCC1CCCCCC1 7a_100000699130_100000703298 [0,1,0,1,0,0|1,0,1]=4 21437 B13R1.1711 CC(CF)OCC1CCCCCC1 34a_100016041109_200000696569 [0,1,0,1,0,0|1,0,1]=4 21438 B13R1.1711 CC(CF)OCC1CCCCCC1 7a_100016041109_200000696569 [0,1,0,1,0,0|1,0,1]=4 21439 B13R1.1711 CC(CN)OCC1CCCCCC1 34a_100000210904_200000696569 [0,1,0,1,0,0|1,0,1]=4 21440 B13R1.1711 CC(CO)OCC1CCCCCC1 34a_100000699130_100012180447 [0,1,0,1,0,0|0,0,2]=4 21441 B13R1.1711 CC(CO)OCC1CCCCCC1 7a_100000699130_100012180447 [0,1,0,1,0,0|0,0,2]=4 21442 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,1,0,1,0,0|2,0,0]=4 21443 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,1,0,1,0,0|2,0,0]=4 21444 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,1,0,1,0,0|2,0,0]=4 21445 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,1,0,1,0,0|2,0,0]=4 21446 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,1,0,1,0,0|2,0,0]=4 21447 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,1,0,1,0,0|2,0,0]=4 21448 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21449 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21450 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21451 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21452 B13R1.1711 CCC(C)OCC1CCCCCC1 34a_100000699130_100011215416 [0,1,0,1,0,0|1,0,1]=4 21453 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000210228_200000696569 [0,1,0,1,0,0|1,0,1]=4 21454 B13R1.1711 CCC(C)OCC1CCCCCC1 7a_100000699130_100000758301 [0,1,0,1,0,0|1,0,1]=4 21455 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [0,1,0,1,0,0|2,0,0]=4 21456 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [0,1,0,1,0,0|2,0,0]=4 21457 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [0,1,0,1,0,0|2,0,0]=4 21458 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [0,1,0,1,0,0|2,0,0]=4 21459 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [0,1,0,1,0,0|2,0,0]=4 21460 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [0,1,0,1,0,0|2,0,0]=4 21461 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [0,1,0,1,0,0|2,0,0]=4 21462 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [0,1,0,1,0,0|2,0,0]=4 21463 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [0,1,0,1,0,0|2,0,0]=4 21464 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [0,1,0,1,0,0|2,0,0]=4 21465 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [0,1,0,1,0,0|2,0,0]=4 21466 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [0,1,0,1,0,0|2,0,0]=4 21467 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,1,0,1,0,0|1,0,0]=3 21468 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,1,0,1,0,0|1,0,0]=3 21469 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,1,0,1,0,0|1,0,0]=3 21470 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,1,0,1,0,0|1,0,0]=3 21471 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,1,0,1,0,0|1,0,0]=3 21472 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|2,0,0]=4 21473 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|2,0,0]=4 21474 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|2,0,0]=4 21475 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|2,0,0]=4 21476 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|2,0,0]=4 21477 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|2,0,0]=4 21478 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|2,0,0]=4 21479 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|2,0,0]=4 21480 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|2,0,0]=4 21481 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [0,1,0,1,0,0|2,0,0]=4 21482 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|2,0,0]=4 21483 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 21484 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 21485 B13R1.1870 C#CC(C)OC1CCCCCCC1 34a_100000210054_200000035995 [0,1,0,1,0,0|1,0,1]=4 21486 B13R1.1870 C=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000185746 [0,1,0,1,0,0|1,0,1]=4 21487 B13R1.1870 C=CC(=O)NC1CCCCCCC1 240690a_100000211152_200121576911 [0,1,0,1,0,0|1,0,1]=4 21488 B13R1.1870 CC(C#N)OC1CCCCCCC1 7a_100000210054_100000703298 [0,1,0,1,0,0|1,0,1]=4 21489 B13R1.1870 CC(CO)OC1CCCCCCC1 34a_100000210054_100012180447 [0,1,0,1,0,0|0,0,2]=4 21490 B13R1.1870 CC(CO)OC1CCCCCCC1 7a_100000210054_100012180447 [0,1,0,1,0,0|0,0,2]=4 21491 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [0,1,0,1,0,0|2,0,0]=4 21492 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21493 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21494 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21495 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21496 B13R1.1870 CCC(C)OC1CCCCCCC1 34a_100000210054_100011215416 [0,1,0,1,0,0|1,0,1]=4 21497 B13R1.1870 CCC(C)OC1CCCCCCC1 7a_100000210054_100000758301 [0,1,0,1,0,0|1,0,1]=4 21498 B13R1.1870 CNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183359 [0,1,0,1,0,0|2,0,0]=4 21499 B13R1.1870 CNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183359 [0,1,0,1,0,0|2,0,0]=4 21500 B13R1.1870 CNC(=O)CN1CCCCCCC1 34a_100000211400_100000183359 [0,1,0,1,0,0|2,0,0]=4 21501 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [0,1,0,1,0,0|1,0,0]=3 21502 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [0,1,0,1,0,0|1,0,0]=3 21503 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [0,1,0,1,0,0|1,0,0]=3 21504 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [0,1,0,1,0,0|1,0,0]=3 21505 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [0,1,0,1,0,0|1,0,0]=3 21506 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [0,1,0,1,0,0|1,0,0]=3 21507 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [0,1,0,1,0,0|2,0,0]=4 21508 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [0,1,0,1,0,0|2,0,0]=4 21509 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [0,1,0,1,0,0|2,0,0]=4 21510 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 21511 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 21512 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [0,1,0,1,0,0|2,0,0]=4 21513 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [0,1,0,1,0,0|2,0,0]=4 21514 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [0,1,0,1,0,0|2,0,0]=4 21515 B13R1.89 CCC1CCCCN1C(C)C(=O)C 2230a_100000210034_100009814033 [0,1,0,1,0,0|2,0,0]=4 21516 B13R1.89 CCC1CCCCN1C(C)C(=O)C 269982a_100000210034_100009814033 [0,1,0,1,0,0|2,0,0]=4 21517 B13R1.169 CC(=O)C(=O)COC1CCCC1C 34a_100011216460_100011261029 [0,1,0,1,0,0|2,0,0]=4 21518 B13R1.191 CCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210326 [0,1,0,1,0,0|2,0,0]=4 21519 B13R1.191 CCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000718602 [0,1,0,1,0,0|2,0,0]=4 21520 B13R1.191 CCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210210 [0,1,0,1,0,0|2,0,0]=4 21521 B13R1.202 CC(=O)C(=O)CN1CCCCC1C 269982a_100000211376_100011261029 [0,1,0,1,0,0|2,0,0]=4 21522 B13R1.202 CC(=O)C(=O)CN1CCCCC1C 34a_100000211376_100011261029 [0,1,0,1,0,0|2,0,0]=4 21523 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,1,0,1,0,0|2,0,0]=4 21524 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,1,0,1,0,0|2,0,0]=4 21525 B13R1.202 CC(=O)N(C)CC1CCCCN1C 240690a_100015185953_100015343762 [0,1,0,1,0,0|2,0,0]=4 21526 B13R1.202 CC(=O)N(C)CC1CCCCN1C 527a_100015185953_100103153847 [0,1,0,1,0,0|2,0,0]=4 21527 B13R1.351 C=C(C)C(=O)CCC1CCCCC1 1458a_100000185857_100011273959 [0,1,0,1,0,0|2,0,0]=4 21528 B13R1.351 CC(=O)C(=O)CNC1CCCCC1 34a_100000182618_100011261029 [0,1,0,1,0,0|2,0,0]=4 21529 B13R1.351 CC(=O)C(=O)COC1CCCCC1 34a_100000210231_100011261029 [0,1,0,1,0,0|2,0,0]=4 21530 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100011261029 [0,1,0,1,0,0|2,0,0]=4 21531 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100011261029_100000210327 [0,1,0,1,0,0|2,0,0]=4 21532 B13R1.351 CC(=O)C(C)COC1CCCCC1 34a_100000032740_100000210327 [0,1,0,1,0,0|2,0,0]=4 21533 B13R1.351 CC(=O)C(C)COC1CCCCC1 7a_100000032740_100000210327 [0,1,0,1,0,0|2,0,0]=4 21534 B13R1.351 CC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100009814033 [0,1,0,1,0,0|2,0,0]=4 21535 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,1,0,1,0,0|2,0,0]=4 21536 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,1,0,1,0,0|2,0,0]=4 21537 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100000211423_100009814033 [0,1,0,1,0,0|2,0,0]=4 21538 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100009814033_100000211423 [0,1,0,1,0,0|2,0,0]=4 21539 B13R1.351 CC(=O)N(C)CCC1CCCCO1 11a_100015183322_100015343762 [0,1,0,1,0,0|2,0,0]=4 21540 B13R1.351 CC(=O)N(C)CCC1CCCCO1 1626a_100015183322_100015343762 [0,1,0,1,0,0|2,0,0]=4 21541 B13R1.351 CC(=O)N(C)CCC1CCCCO1 240690a_100015183322_100015343762 [0,1,0,1,0,0|2,0,0]=4 21542 B13R1.351 CC(=O)N(C)CCC1CCCCO1 527a_100015183322_100103153847 [0,1,0,1,0,0|2,0,0]=4 21543 B13R1.669 CCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210326 [0,1,0,1,0,0|2,0,0]=4 21544 B13R1.669 CCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210215 [0,1,0,1,0,0|2,0,0]=4 21545 B13R1.669 CCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210211 [0,1,0,1,0,0|2,0,0]=4 21546 B13R1.669 CCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210210 [0,1,0,1,0,0|2,0,0]=4 21547 B13R1.1110 C=C(C)C(=O)CCCC1CCCC1 1458a_100000185857_100011713738 [0,1,0,1,0,0|2,0,0]=4 21548 B13R1.1110 CC(=O)C(=O)CNCC1CCCC1 34a_100000737975_100011261029 [0,1,0,1,0,0|2,0,0]=4 21549 B13R1.1110 CC(=O)C(=O)COCC1CCCC1 34a_100000742336_100011261029 [0,1,0,1,0,0|2,0,0]=4 21550 B13R1.1110 CC(=O)C(=O)CSCC1CCCC1 62a_100000740388_100011261029 [0,1,0,1,0,0|2,0,0]=4 21551 B13R1.1110 CC(=O)C(=O)CSCC1CCCC1 62a_100011261029_100000740388 [0,1,0,1,0,0|2,0,0]=4 21552 B13R1.1110 CC(=O)C(C)COCC1CCCC1 34a_100000032740_100000740388 [0,1,0,1,0,0|2,0,0]=4 21553 B13R1.1110 CC(=O)C(C)COCC1CCCC1 7a_100000032740_100000740388 [0,1,0,1,0,0|2,0,0]=4 21554 B13R1.1110 CC(=O)C(C)NCCC1CCCC1 2230a_100000739158_100009814033 [0,1,0,1,0,0|2,0,0]=4 21555 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 34a_100000212229_100000760354 [0,1,0,1,0,0|2,0,0]=4 21556 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 7a_100000749090_100000179758 [0,1,0,1,0,0|2,0,0]=4 21557 B13R1.1110 CC(=O)C(C)SCCC1CCCC1 62a_100000760354_100009814033 [0,1,0,1,0,0|2,0,0]=4 21558 B13R1.1110 CC(=O)C(C)SCCC1CCCC1 62a_100009814033_100000760354 [0,1,0,1,0,0|2,0,0]=4 21559 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 11a_100015186261_100015343762 [0,1,0,1,0,0|1,0,0]=3 21560 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100015343762 [0,1,0,1,0,0|1,0,0]=3 21561 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100015343762 [0,1,0,1,0,0|1,0,0]=3 21562 B13R1.1110 CC(=O)N(C)CCCC1CCCC1 527a_100015186261_100103153847 [0,1,0,1,0,0|1,0,0]=3 21563 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 11a_100011698863_100015343762 [0,1,0,1,0,0|2,0,0]=4 21564 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 1626a_100011698863_100015343762 [0,1,0,1,0,0|2,0,0]=4 21565 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 240690a_100011698863_100015343762 [0,1,0,1,0,0|2,0,0]=4 21566 B13R1.1110 CC(=O)N(C)CCCC1CCCO1 527a_100011698863_100103153847 [0,1,0,1,0,0|2,0,0]=4 21567 B13R1.1110 CC(=O)N(C)CCCN1CCCC1 240690a_100000233079_100015343762 [0,1,0,1,0,0|2,0,0]=4 21568 B13R1.1110 CC(=O)N(C)CCCN1CCCC1 527a_100000233079_100103153847 [0,1,0,1,0,0|2,0,0]=4 21569 B13R1.1889 CCCCCNC1CN(C1)C(=O)C 2230a_100102955437_100000210326 [0,1,0,1,0,0|2,0,0]=4 21570 B13R1.1920 CCCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210211 [0,1,0,1,0,0|2,0,0]=4 21571 B13R1.1920 CCCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210211 [0,1,0,1,0,0|2,0,0]=4 21572 B13R1.1920 CCCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210210 [0,1,0,1,0,0|2,0,0]=4 21573 B13R1.2801 CCC1CCCN1CC(=O)C(=O)C 269982a_100000754278_100011261029 [0,1,0,1,0,0|2,0,0]=4 21574 B13R1.2801 CCC1CCCN1CC(=O)C(=O)C 34a_100000754278_100011261029 [0,1,0,1,0,0|2,0,0]=4 21575 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 2230a_100000211400_100009814033 [0,1,0,1,0,0|2,0,0]=4 21576 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 269982a_100000211400_100009814033 [0,1,0,1,0,0|2,0,0]=4 21577 B13R1.6192 C=C(C)C(=O)CC1CCCCCC1 1458a_100000185857_200000696569 [0,1,0,1,0,0|2,0,0]=4 21578 B13R1.6192 CC(=O)C(=O)CN1CCCCCC1 269982a_100000185865_100011261029 [0,1,0,1,0,0|2,0,0]=4 21579 B13R1.6192 CC(=O)C(=O)CN1CCCCCC1 34a_100000185865_100011261029 [0,1,0,1,0,0|2,0,0]=4 21580 B13R1.6192 CC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200000210301 [0,1,0,1,0,0|2,0,0]=4 21581 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,1,0,1,0,0|2,0,0]=4 21582 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,1,0,1,0,0|2,0,0]=4 21583 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,1,0,1,0,0|2,0,0]=4 21584 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,1,0,1,0,0|2,0,0]=4 21585 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,1,0,1,0,0|2,0,0]=4 21586 B13R1.6192 [13CH3]C(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200025704644 [0,1,0,1,0,0|2,0,0]=4 21587 B13R1.45 CC(=O)CCC(C)N1CCCCC1 1458a_100015185227_200000210301 [0,1,0,1,0,0|2,0,0]=4 21588 B13R1.45 CC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100000053229 [0,1,0,1,0,0|2,0,0]=4 21589 B13R1.45 CC(=O)NCC(=O)C1CCCCC1 1458a_100000194580_100000210327 [0,1,0,1,0,0|1,0,1]=4 21590 B13R1.45 CC(=O)OCC(=O)C1CCCCC1 1458a_100000183556_100000210327 [0,1,0,1,0,0|0,0,1]=3 21591 B13R1.45 CC(=O)OCC(=O)C1CCCOC1 1458a_100000183556_100000693364 [0,1,0,1,0,0|1,0,1]=4 21592 B13R1.45 CC(=O)OCC(=O)C1CCOCC1 1458a_100000183556_100011324220 [0,1,0,1,0,0|1,0,1]=4 21593 B13R1.45 CC(=O)OCC(C)N1CCCOC1 270004a_100000131196_100000000629 [0,1,0,1,0,0|2,0,0]=4 21594 B13R1.45 CC(=O)OCC(C)N1CCOCC1 270004a_100015191051_100000000629 [0,1,0,1,0,0|2,0,0]=4 21595 B13R1.45 CC(=O)OCC(C)N1CCSCC1 270004a_100000737611_100000000629 [0,1,0,1,0,0|2,0,0]=4 21596 B13R1.45 CC(=O)OCN(C)C1CCCCC1 269982a_100000207522_100000076356 [0,1,0,1,0,0|1,0,0]=3 21597 B13R1.45 CC(=O)OCN(C)C1CCCCC1 34a_100000207522_100009813279 [0,1,0,1,0,0|1,0,0]=3 21598 B13R1.45 CC(=O)OCN(C)C1CCOCC1 269982a_100020587155_100000076356 [0,1,0,1,0,0|2,0,0]=4 21599 B13R1.45 CC(=O)OCN(C)C1CCOCC1 34a_100020587155_100009813279 [0,1,0,1,0,0|2,0,0]=4 21600 B13R1.45 CC(=O)OCN(C)C1CCSCC1 269982a_100015184757_100000076356 [0,1,0,1,0,0|2,0,0]=4 21601 B13R1.45 CC(=O)OCN(C)C1CCSCC1 34a_100015184757_100009813279 [0,1,0,1,0,0|2,0,0]=4 21602 B13R1.45 CC(=O)SCC(=O)C1CCCCC1 1458a_100000049016_100000210327 [0,1,0,1,0,0|0,1,1]=4 21603 B13R1.45 CC(C)OC[C@H](N)C1CCCCC1 34a_100009817630_100000210206 [0,1,0,1,0,0|1,0,1]=4 21604 B13R1.45 CC(CCC(=O)[13CH3])N1CCCCC1 1458a_100015185227_200025704644 [0,1,0,1,0,0|2,0,0]=4 21605 B13R1.168 CC(=O)OCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000183556 [0,1,0,1,0,0|1,0,1]=4 21606 B13R1.168 CC(=O)OCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000183556 [0,1,0,1,0,0|1,0,1]=4 21607 B13R1.168 CC(=O)OCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000183556 [0,1,0,1,0,0|1,0,1]=4 21608 B13R1.168 CC(=O)OCC(=O)N1CCC[C@H]1C 527a_100015189458_100000183556 [0,1,0,1,0,0|1,0,1]=4 21609 B13R1.168 CC(=O)OCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000000629 [0,1,0,1,0,0|1,0,0]=3 21610 B13R1.168 CC(=O)OCC(C)N1CCC[C@H]1C 270004a_100015189458_100000000629 [0,1,0,1,0,0|1,0,0]=3 21611 B13R1.168 CC(=O)OCC(C)N1CCSC1C 270004a_200011216479_100000000629 [0,1,0,1,0,0|2,0,0]=4 21612 B13R1.199 CC(=O)OCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_200000139349 [0,1,0,1,0,0|2,0,0]=4 21613 B13R1.240 CC(=O)OCC1CCN(C1)CCF 2230a_100000118262_100011217306 [0,1,0,1,0,0|2,0,0]=4 21614 B13R1.240 CC(=O)OCC1CCN(C1)CCF 269982a_100000118262_100011217306 [0,1,0,1,0,0|2,0,0]=4 21615 B13R1.240 CC(=O)OCC1CCN(C1)CCO 2230a_100000118262_100000211926 [0,1,0,1,0,0|2,0,0]=4 21616 B13R1.240 CC(=O)OCC1CCN(C1)CCO 269982a_100000118262_100000211926 [0,1,0,1,0,0|2,0,0]=4 21617 B13R1.240 CC(=O)OCN1CCC(C1)CCO 269982a_100016987287_100000076356 [0,1,0,1,0,0|2,0,0]=4 21618 B13R1.240 CC(=O)OCN1CCC(C1)CCO 34a_100016987287_100009813279 [0,1,0,1,0,0|2,0,0]=4 21619 B13R1.240 CCCN1CCC(C1)CNC(=O)C 11a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 21620 B13R1.240 CCCN1CCC(C1)CNC(=O)C 1626a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 21621 B13R1.240 CCCN1CCC(C1)CNC(=O)C 240690a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 21622 B13R1.240 CCCN1CCC(C1)CNC(=O)C 527a_100011224067_100103153847 [0,1,0,1,0,0|2,0,0]=4 21623 B13R1.240 CCCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210303 [0,1,0,1,0,0|1,0,0]=3 21624 B13R1.240 CCCN1CCC(C1)COC(=O)C 269982a_100000118262_100000210303 [0,1,0,1,0,0|1,0,0]=3 21625 B13R1.240 CCO[C@H]1CCN(C1)COC(=O)C 269982a_100011787710_100000076356 [0,1,0,1,0,0|2,0,0]=4 21626 B13R1.240 CCO[C@H]1CCN(C1)COC(=O)C 34a_100011787710_100009813279 [0,1,0,1,0,0|2,0,0]=4 21627 B13R1.240 COCC1CCN(C1)COC(=O)C 269982a_100025706693_100000076356 [0,1,0,1,0,0|2,0,0]=4 21628 B13R1.240 COCC1CCN(C1)COC(=O)C 34a_100025706693_100009813279 [0,1,0,1,0,0|2,0,0]=4 21629 B13R1.240 COCN1CCC(C1)COC(=O)C 2230a_100000118262_100000766300 [0,1,0,1,0,0|2,0,0]=4 21630 B13R1.240 COCN1CCC(C1)COC(=O)C 269982a_100000118262_100000766300 [0,1,0,1,0,0|2,0,0]=4 21631 B13R1.240 CSCN1CCC(C1)COC(=O)C 2230a_100000118262_100011218213 [0,1,0,1,0,0|2,0,0]=4 21632 B13R1.240 CSCN1CCC(C1)COC(=O)C 269982a_100000118262_100011218213 [0,1,0,1,0,0|2,0,0]=4 21633 B13R1.277 CC(=O)OCC(=O)CN1CCC1C 269982a_100000755817_100000036994 [0,1,0,1,0,0|1,0,1]=4 21634 B13R1.277 CC(=O)OCC(=O)CN1CCC1C 34a_100000755817_100000036994 [0,1,0,1,0,0|1,0,1]=4 21635 B13R1.277 CC(=O)OCC(O)CN1CCC1C 269982a_100000755817_200000139349 [0,1,0,1,0,0|1,0,0]=3 21636 B13R1.277 CC(=O)OCC(O)CN1CCC1C 34a_100000755817_200000139349 [0,1,0,1,0,0|1,0,0]=3 21637 B13R1.277 CC(=O)SCC(C)CN1CCC1C 269982a_100000755817_200000116872 [0,1,0,1,0,0|1,1,0]=4 21638 B13R1.277 CC(=O)SCC(C)CN1CCC1C 34a_100000755817_200000116872 [0,1,0,1,0,0|1,1,0]=4 21639 B13R1.344 CC(=O)NCC(=O)CC1CCCC1 1458a_100000194580_100000740388 [0,1,0,1,0,0|1,0,1]=4 21640 B13R1.344 CC(=O)NCC(C)CN1CCCC1 1626a_100000741878_100015343762 [0,1,0,1,0,0|2,0,0]=4 21641 B13R1.344 CC(=O)NCC(C)CN1CCCC1 240690a_100000741878_100015343762 [0,1,0,1,0,0|2,0,0]=4 21642 B13R1.344 CC(=O)NCC(C)CN1CCCC1 527a_100000741878_100103153847 [0,1,0,1,0,0|2,0,0]=4 21643 B13R1.344 CC(=O)NCC(O)CN1CCCC1 240690a_100000741758_100015343762 [0,1,0,1,0,0|2,0,0]=4 21644 B13R1.344 CC(=O)OCC(=O)CC1CCCC1 1458a_100000183556_100000740388 [0,1,0,1,0,0|0,0,1]=3 21645 B13R1.344 CC(=O)OCC(=O)CC1CCCO1 1458a_100000183556_100000203698 [0,1,0,1,0,0|1,0,1]=4 21646 B13R1.344 CC(=O)OCC(=O)CC1CCOC1 1458a_100000183556_100000702531 [0,1,0,1,0,0|1,0,1]=4 21647 B13R1.344 CC(=O)OCC(=O)CN1CCCC1 269982a_100000188435_100000036994 [0,1,0,1,0,0|1,0,1]=4 21648 B13R1.344 CC(=O)OCC(=O)NC1CCCC1 1626a_100000211070_100000183556 [0,1,0,1,0,0|1,0,1]=4 21649 B13R1.344 CC(=O)OCC(=O)NC1CCCC1 240690a_100000211070_100000183556 [0,1,0,1,0,0|1,0,1]=4 21650 B13R1.344 CC(=O)OCC(=O)NC1CCCC1 527a_100000211070_100000183556 [0,1,0,1,0,0|1,0,1]=4 21651 B13R1.344 CC(=O)OCC(C)NC1CCCC1 270004a_100000211070_100000000629 [0,1,0,1,0,0|1,0,0]=3 21652 B13R1.344 CC(=O)OCC(C)N[C@@H]1CCOC1 270004a_200015188469_100000000629 [0,1,0,1,0,0|2,0,0]=4 21653 B13R1.344 CC(=O)OCC(C)N[C@H]1CCOC1 270004a_100015188467_100000000629 [0,1,0,1,0,0|2,0,0]=4 21654 B13R1.344 CC(=O)OCC(O)CN1CCCC1 269982a_100000188435_200000139349 [0,1,0,1,0,0|1,0,0]=3 21655 B13R1.344 CC(=O)OCC(O)CN1CCSC1 269982a_100011215254_200000139349 [0,1,0,1,0,0|2,0,0]=4 21656 B13R1.344 CC(=O)OCN(C)CC1CCCO1 269982a_100102946541_100000076356 [0,1,0,1,0,0|2,0,0]=4 21657 B13R1.344 CC(=O)OCN(C)CC1CCCO1 34a_100102946541_100009813279 [0,1,0,1,0,0|2,0,0]=4 21658 B13R1.344 CC(=O)OCN(C)CC1CCOC1 269982a_100000684583_100000076356 [0,1,0,1,0,0|2,0,0]=4 21659 B13R1.344 CC(=O)OCN(C)CC1CCOC1 34a_100000684583_100009813279 [0,1,0,1,0,0|2,0,0]=4 21660 B13R1.344 CC(=O)SCC(=O)CC1CCCC1 1458a_100000049016_100000740388 [0,1,0,1,0,0|0,1,1]=4 21661 B13R1.344 CC(=O)SCC(C)CN1CCCC1 2230a_100000188435_200000116872 [0,1,0,1,0,0|1,1,0]=4 21662 B13R1.344 CC(=O)SCC(C)CN1CCCC1 269982a_100000188435_200000116872 [0,1,0,1,0,0|1,1,0]=4 21663 B13R1.1054 CC(=O)OCC(=O)CNC1CCC1 34a_100000749019_100000036994 [0,1,0,1,0,0|1,0,1]=4 21664 B13R1.1054 CC(=O)OCC(=O)COC1CCC1 34a_100000748187_100000036994 [0,1,0,1,0,0|1,0,1]=4 21665 B13R1.1054 CC(=O)OCC(=O)CSC1CCC1 62a_100000036994_100000749161 [0,1,0,1,0,0|1,0,1]=4 21666 B13R1.1054 CC(=O)OCC(=O)NCC1CCC1 1626a_100000738700_100000183556 [0,1,0,1,0,0|1,0,1]=4 21667 B13R1.1054 CC(=O)OCC(=O)NCC1CCC1 240690a_100000738700_100000183556 [0,1,0,1,0,0|1,0,1]=4 21668 B13R1.1054 CC(=O)OCC(=O)NCC1CCC1 527a_100000738700_100000183556 [0,1,0,1,0,0|1,0,1]=4 21669 B13R1.1054 CC(=O)OCC(C)NCC1CCC1 270004a_100000738700_100000000629 [0,1,0,1,0,0|1,0,0]=3 21670 B13R1.1054 CC(=O)OCC(C)NCC1COC1 270004a_100015281925_100000000629 [0,1,0,1,0,0|2,0,0]=4 21671 B13R1.1054 CC(=O)OCC(C)NC[C@@H]1CCO1 270004a_100020831831_100000000629 [0,1,0,1,0,0|2,0,0]=4 21672 B13R1.1054 CC(=O)OCC(O)CNC1CCC1 34a_100000749019_200000139349 [0,1,0,1,0,0|1,0,0]=3 21673 B13R1.1054 CC(=O)OCC(O)COC1CCC1 34a_100000748187_200000139349 [0,1,0,1,0,0|1,0,0]=3 21674 B13R1.1054 CC(=O)OCC(O)COC1CSC1 7a_100000072292_200000139349 [0,1,0,1,0,0|2,0,0]=4 21675 B13R1.1054 CC(=O)OCC(O)CSC1CCC1 62a_200000139349_100000749161 [0,1,0,1,0,0|1,0,0]=3 21676 B13R1.1054 CC(=O)OCC(O)CSC1COC1 62a_200000139349_100009818527 [0,1,0,1,0,0|2,0,0]=4 21677 B13R1.1054 CC(=O)SCC(C)CNC1CCC1 2230a_100000749019_200000116872 [0,1,0,1,0,0|1,1,0]=4 21678 B13R1.1054 CC(=O)SCC(C)CNC1CCC1 34a_100000749019_200000116872 [0,1,0,1,0,0|1,1,0]=4 21679 B13R1.1054 CC(=O)SCC(C)COC1CCC1 34a_100000748187_200000116872 [0,1,0,1,0,0|1,1,0]=4 21680 B13R1.1054 CC(=O)SCC(C)CSC1CCC1 62a_200000116872_100000749161 [0,1,0,1,0,0|1,1,0]=4 21681 B13R1.1055 CC(=O)OCC(=O)CCCC1CO1 1458a_100000183556_100000733510 [0,1,0,1,0,0|1,0,1]=4 21682 B13R1.1055 CC(=O)OCC(=O)CNCC1CC1 34a_100000735609_100000036994 [0,1,0,1,0,0|1,0,1]=4 21683 B13R1.1055 CC(=O)OCC(=O)COCC1CC1 34a_100000211283_100000036994 [0,1,0,1,0,0|1,0,1]=4 21684 B13R1.1055 CC(=O)OCC(=O)CSCC1CC1 62a_100000036994_100000742324 [0,1,0,1,0,0|1,0,1]=4 21685 B13R1.1055 CC(=O)OCC(=O)CSCC1CC1 62a_100000756562_100000036994 [0,1,0,1,0,0|1,0,1]=4 21686 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 1626a_100000764129_100000183556 [0,1,0,1,0,0|1,0,1]=4 21687 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 240690a_100000764129_100000183556 [0,1,0,1,0,0|1,0,1]=4 21688 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 527a_100000764129_100000183556 [0,1,0,1,0,0|1,0,1]=4 21689 B13R1.1055 CC(=O)OCC(C)NCCC1CC1 270004a_100000764129_100000000629 [0,1,0,1,0,0|1,0,0]=3 21690 B13R1.1055 CC(=O)OCC(O)CNCC1CC1 34a_100000735609_200000139349 [0,1,0,1,0,0|1,0,0]=3 21691 B13R1.1055 CC(=O)OCC(O)COCC1CC1 34a_100000211283_200000139349 [0,1,0,1,0,0|1,0,0]=3 21692 B13R1.1055 CC(=O)OCC(O)COC[C@@H]1CO1 34a_100000757423_200000139349 [0,1,0,1,0,0|2,0,0]=4 21693 B13R1.1055 CC(=O)OCC(O)CSCC1CC1 62a_100000756562_200000139349 [0,1,0,1,0,0|1,0,0]=3 21694 B13R1.1055 CC(=O)OCC(O)CSCC1CC1 62a_200000139349_100000742324 [0,1,0,1,0,0|1,0,0]=3 21695 B13R1.1055 CC(=O)OCC(O)CSCC1CO1 62a_102125554688_200000139349 [0,1,0,1,0,0|2,0,0]=4 21696 B13R1.1055 CC(=O)OCC(O)CSCC1CO1 62a_200000139349_102125554688 [0,1,0,1,0,0|2,0,0]=4 21697 B13R1.1055 CC(=O)OCC(O)CSCC1CS1 62a_100000031435_200000139349 [0,1,0,1,0,0|2,0,0]=4 21698 B13R1.1055 CC(=O)OCC(O)CSCC1CS1 62a_200000139349_100000031435 [0,1,0,1,0,0|2,0,0]=4 21699 B13R1.1055 CC(=O)OCC(O)CSC[C@@H]1CO1 62a_100000745022_200000139349 [0,1,0,1,0,0|2,0,0]=4 21700 B13R1.1055 CC(=O)OCC(O)CSC[C@@H]1CO1 62a_200000139349_100000745022 [0,1,0,1,0,0|2,0,0]=4 21701 B13R1.1055 CC(=O)SCC(C)CNCC1CC1 2230a_100000735609_200000116872 [0,1,0,1,0,0|1,1,0]=4 21702 B13R1.1055 CC(=O)SCC(C)CNCC1CC1 34a_100000735609_200000116872 [0,1,0,1,0,0|1,1,0]=4 21703 B13R1.1055 CC(=O)SCC(C)COCC1CC1 34a_100000211283_200000116872 [0,1,0,1,0,0|1,1,0]=4 21704 B13R1.1055 CC(=O)SCC(C)CSCC1CC1 62a_100000756562_200000116872 [0,1,0,1,0,0|1,1,0]=4 21705 B13R1.1055 CC(=O)SCC(C)CSCC1CC1 62a_200000116872_100000742324 [0,1,0,1,0,0|1,1,0]=4 21706 B13R1.2919 CCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210757 [0,1,0,1,0,0|1,0,1]=4 21707 B13R1.2919 CCCCCCN(C)C1CC(=O)C1 269982a_106256046315_100009894365 [0,1,0,1,0,0|2,0,0]=4 21708 B13R1.292 C=C1CC(C1)CNCCOC(=O)C 34a_100102567296_100009814007 [0,1,0,1,0,0|1,0,1]=4 21709 B13R1.292 C=C1CC(C1)COCCOC(=O)C 34a_100011011225_100009814007 [0,1,0,1,0,0|1,0,1]=4 21710 B13R1.292 CC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100000685027 [0,1,0,1,0,0|2,0,0]=4 21711 B13R1.292 CC(=O)NCCNCC1CC(C1)O 2230a_100016992100_100000189650 [0,1,0,1,0,0|2,0,0]=4 21712 B13R1.292 CC(=O)OCCCCN1CC(C1)C 269982a_100000702820_100000033659 [0,1,0,1,0,0|1,0,0]=3 21713 B13R1.292 CC(=O)OCCCCN1CC(C1)C 34a_100000702820_100000033659 [0,1,0,1,0,0|1,0,0]=3 21714 B13R1.292 CC(=O)OCCCCN1CC(C1)F 269982a_100000690557_100000033659 [0,1,0,1,0,0|1,0,0]=3 21715 B13R1.292 CC(=O)OCCCCN1CC(C1)F 34a_100000690557_100000033659 [0,1,0,1,0,0|1,0,0]=3 21716 B13R1.292 CC(=O)OCCCCN1CC(C1)O 269982a_100000749847_100000033659 [0,1,0,1,0,0|1,0,0]=3 21717 B13R1.292 CC(=O)OCCCSC1CC(=O)C1 62a_100009894365_100000042594 [0,1,0,1,0,0|1,0,1]=4 21718 B13R1.292 CC(=O)OCCOCC1CC(=O)C1 34a_100000101936_100009814007 [0,1,0,1,0,0|1,0,1]=4 21719 B13R1.292 CC(=O)OCCOCC1CC(C1)Cl 34a_100009874164_100009814007 [0,1,0,1,0,0|1,0,0]=3 21720 B13R1.292 CC(=O)OCCOCN1CC(C1)C 269982a_100000702820_100000076355 [0,1,0,1,0,0|2,0,0]=4 21721 B13R1.292 CC(=O)OCCOCN1CC(C1)C 34a_100000702820_100000076355 [0,1,0,1,0,0|2,0,0]=4 21722 B13R1.292 CC(=O)OCCOCN1CC(C1)F 269982a_100000690557_100000076355 [0,1,0,1,0,0|2,0,0]=4 21723 B13R1.292 CC(=O)OCCOCN1CC(C1)F 34a_100000690557_100000076355 [0,1,0,1,0,0|2,0,0]=4 21724 B13R1.292 CC(=O)OCCOCN1CC(C1)O 269982a_100000749847_100000076355 [0,1,0,1,0,0|2,0,0]=4 21725 B13R1.292 CC(=O)OCCSCC1CC(=O)C1 62a_100009814007_100009874392 [0,1,0,1,0,0|1,0,1]=4 21726 B13R1.292 CC(=O)OCCSCC1CC(=O)C1 62a_100009874392_100009814007 [0,1,0,1,0,0|1,0,1]=4 21727 B13R1.292 CC(=O)SCCCCN1CC(C1)C 2230a_100000702820_200010402107 [0,1,0,1,0,0|1,1,0]=4 21728 B13R1.292 CC(=O)SCCCCN1CC(C1)C 269982a_100000702820_200010402107 [0,1,0,1,0,0|1,1,0]=4 21729 B13R1.292 CC(=O)SCCCCN1CC(C1)C 34a_100000702820_200010402107 [0,1,0,1,0,0|1,1,0]=4 21730 B13R1.292 CC(=O)SCCCCN1CC(C1)F 2230a_100000690557_200010402107 [0,1,0,1,0,0|1,1,0]=4 21731 B13R1.292 CC(=O)SCCCCN1CC(C1)F 269982a_100000690557_200010402107 [0,1,0,1,0,0|1,1,0]=4 21732 B13R1.292 CC(=O)SCCCCN1CC(C1)F 34a_100000690557_200010402107 [0,1,0,1,0,0|1,1,0]=4 21733 B13R1.292 CC(=O)SCCCCN1CC(C1)O 269982a_100000749847_200010402107 [0,1,0,1,0,0|1,1,0]=4 21734 B13R1.292 CC(=O)SCCCNC1CC(C1)F 2230a_100016993743_100000038929 [0,1,0,1,0,0|1,1,0]=4 21735 B13R1.292 CC(=O)SCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000038929 [0,1,0,1,0,0|1,1,0]=4 21736 B13R1.292 CC(=S)OCCCNC1CC(C1)F 2230a_100016993743_200135323944 [0,1,0,1,0,0|1,1,0]=4 21737 B13R1.292 CC(=S)OCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200135323944 [0,1,0,1,0,0|1,1,0]=4 21738 B13R1.292 CC(C)CCCCSC1CC(=O)C1 62a_100009894365_100011216152 [0,1,0,1,0,0|2,0,0]=4 21739 B13R1.292 CC(C)CCCNCC1CC(=O)C1 2230a_200000737386_100009874392 [0,1,0,1,0,0|2,0,0]=4 21740 B13R1.292 CC(C)CCCOCC1CC(=O)C1 34a_100000101936_100011214892 [0,1,0,1,0,0|2,0,0]=4 21741 B13R1.292 CC(C)CCCOCC1CC(=O)C1 7a_100000210774_100009874392 [0,1,0,1,0,0|2,0,0]=4 21742 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100009874392_100011214892 [0,1,0,1,0,0|2,0,0]=4 21743 B13R1.292 CC(C)CCCSCC1CC(=O)C1 62a_100011214892_100009874392 [0,1,0,1,0,0|2,0,0]=4 21744 B13R1.292 CC(O)CCCOCC1CC(=O)C1 34a_100000101936_200000718107 [0,1,0,1,0,0|2,0,0]=4 21745 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_100009874392_200000718107 [0,1,0,1,0,0|2,0,0]=4 21746 B13R1.292 CC(O)CCCSCC1CC(=O)C1 62a_200000718107_100009874392 [0,1,0,1,0,0|2,0,0]=4 21747 B13R1.292 NC(=O)OCCOCC1CC(C1)Cl 34a_100009874164_200011214921 [0,1,0,1,0,0|2,0,0]=4 21748 B13R1.589 CC(=O)N1CCCCC1CN(C)C 11a_100000746231_100015343762 [0,1,0,1,0,0|2,0,0]=4 21749 B13R1.589 CC(=O)N1CCCCC1CN(C)C 240690a_100000746231_100015343762 [0,1,0,1,0,0|2,0,0]=4 21750 B13R1.589 CC(=O)N1CCCCC1CN(C)C 527a_100000746231_100103153847 [0,1,0,1,0,0|2,0,0]=4 21751 B13R1.589 CC(=O)N1CCOCC1CC(C)C 11a_100000755734_100015343762 [0,1,0,1,0,0|2,0,0]=4 21752 B13R1.589 CC(=O)N1CCOCC1CC(C)C 1626a_100000755734_100015343762 [0,1,0,1,0,0|2,0,0]=4 21753 B13R1.589 CC(=O)N1CCOCC1CC(C)C 240690a_100000755734_100015343762 [0,1,0,1,0,0|2,0,0]=4 21754 B13R1.589 CC(=O)N1CCOCC1CC(C)C 527a_100000755734_100103153847 [0,1,0,1,0,0|2,0,0]=4 21755 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1N(C)C 11a_100009817265_100015343762 [0,1,0,1,0,0|2,0,0]=4 21756 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1N(C)C 240690a_100009817265_100015343762 [0,1,0,1,0,0|2,0,0]=4 21757 B13R1.589 CC(=O)N[C@@H]1CCCC[C@H]1N(C)C 527a_100009817265_100103153847 [0,1,0,1,0,0|2,0,0]=4 21758 B13R1.589 CC(C)OC1CCCCC1C(C)C 34a_100011709184_100000210206 [0,1,0,1,0,0|1,0,1]=4 21759 B13R1.589 CC(C)OC1CCCCC1C(C)C 7a_100011709184_100000210206 [0,1,0,1,0,0|1,0,1]=4 21760 B13R1.1013 CC(=O)CCCN1CCCC1(C)C 269982a_100000761399_100011215641 [0,1,0,1,0,0|2,0,0]=4 21761 B13R1.1013 CC(=O)CCCN1CCCC1(C)C 34a_100000761399_100000685027 [0,1,0,1,0,0|2,0,0]=4 21762 B13R1.1013 CC(=O)CCOC1CCCC1(C)C 7a_100000726220_100000053229 [0,1,0,1,0,0|2,0,0]=4 21763 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 1626a_100015204988_100015343762 [0,1,0,1,0,0|2,0,0]=4 21764 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 2230a_100000761399_100000189650 [0,1,0,1,0,0|2,0,0]=4 21765 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 240690a_100015204988_100015343762 [0,1,0,1,0,0|2,0,0]=4 21766 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 269982a_100000761399_100000189650 [0,1,0,1,0,0|2,0,0]=4 21767 B13R1.1013 CC(=O)NCCN1CCCC1(C)C 527a_100015204988_100103153847 [0,1,0,1,0,0|2,0,0]=4 21768 B13R1.1013 CC(=O)OCCN1CCCC1(C)C 269982a_100000761399_100009814007 [0,1,0,1,0,0|1,0,0]=3 21769 B13R1.1013 CC(=O)OCCN1CCCC1(C)C 34a_100000761399_100009814007 [0,1,0,1,0,0|1,0,0]=3 21770 B13R1.1013 CC(=O)OCCN1CCSC1(C)C 269982a_100011217261_100009814007 [0,1,0,1,0,0|2,0,0]=4 21771 B13R1.1013 CC(=O)OCCN1CCSC1(C)C 34a_100011217261_100009814007 [0,1,0,1,0,0|2,0,0]=4 21772 B13R1.1013 CC(=O)OCCN1COCC1(C)C 269982a_100000043020_100009814007 [0,1,0,1,0,0|2,0,0]=4 21773 B13R1.1013 CC(=O)OCNC1CCCC1(F)F 34a_100000767123_100009813279 [0,1,0,1,0,0|2,0,0]=4 21774 B13R1.1013 CC(=O)OCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100009813279 [0,1,0,1,0,0|1,0,0]=3 21775 B13R1.1013 CC(=O)OCOC1CCCC1(C)C 34a_100000726220_100009813279 [0,1,0,1,0,0|1,0,0]=3 21776 B13R1.1013 CC(=O)OCSC1CCCC1(F)F 62a_100000076356_100119073726 [0,1,0,1,0,0|2,0,0]=4 21777 B13R1.1013 CC(=O)OCSC1CCCC1(F)F 62a_100119073726_100000076356 [0,1,0,1,0,0|2,0,0]=4 21778 B13R1.1013 CC1(CCCN1CCOC(=O)N)C 269982a_100000761399_200011214921 [0,1,0,1,0,0|2,0,0]=4 21779 B13R1.1013 CC1(CCCN1CCOC(=O)N)C 34a_100000761399_200011214921 [0,1,0,1,0,0|2,0,0]=4 21780 B13R1.1045 CC(=O)CCCOCC1CC1(C)C 34a_100000728257_100000685027 [0,1,0,1,0,0|2,0,0]=4 21781 B13R1.1045 CC(=O)CCCOCC1CC1(C)C 7a_100000728257_100011215641 [0,1,0,1,0,0|2,0,0]=4 21782 B13R1.1045 CC(=O)NCCOCC1CC1(C)C 7a_100000728257_100000189650 [0,1,0,1,0,0|2,0,0]=4 21783 B13R1.1045 CC(=O)OCCCNC1CC1(F)F 34a_100020610826_100000042594 [0,1,0,1,0,0|2,0,0]=4 21784 B13R1.1045 CC(=O)OCCOCC1CC1(C)C 34a_100000728257_100009814007 [0,1,0,1,0,0|1,0,0]=3 21785 B13R1.1045 CC(=O)OCCOCC1CC1(C)C 7a_100000728257_100009814007 [0,1,0,1,0,0|1,0,0]=3 21786 B13R1.1045 CC(=O)OCCOCC1CC1(F)F 34a_100000056500_100009814007 [0,1,0,1,0,0|2,0,0]=4 21787 B13R1.1045 CC(=O)OCCOCC1CC1(F)F 7a_100000056500_100009814007 [0,1,0,1,0,0|2,0,0]=4 21788 B13R1.1045 CC(=O)OCCOCC1OC1(C)C 34a_200010283642_100009814007 [0,1,0,1,0,0|2,0,0]=4 21789 B13R1.1045 CC(=O)OCCOCC1OC1(C)C 7a_200010283642_100009814007 [0,1,0,1,0,0|2,0,0]=4 21790 B13R1.1045 CC(=O)OCCSCC1CC1(F)F 62a_100009814007_100009817841 [0,1,0,1,0,0|2,0,0]=4 21791 B13R1.1045 CC(=O)OCCSCC1CC1(F)F 62a_100009817841_100009814007 [0,1,0,1,0,0|2,0,0]=4 21792 B13R1.1045 CC(=O)OCOCCC1CC1(F)F 34a_100009864177_100009813279 [0,1,0,1,0,0|2,0,0]=4 21793 B13R1.1045 CC1(CC1COCCOC(=O)N)C 34a_100000728257_200011214921 [0,1,0,1,0,0|2,0,0]=4 21794 B13R1.1045 CC1(CC1COCCOC(=O)N)C 7a_100000728257_200011214921 [0,1,0,1,0,0|2,0,0]=4 21795 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 11a_100000697956_100015343762 [0,1,0,1,0,0|1,0,0]=3 21796 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100015343762 [0,1,0,1,0,0|1,0,0]=3 21797 B13R1.1082 CC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100015343762 [0,1,0,1,0,0|1,0,0]=3 21798 B13R1.3575 CC(=O)OCN1CCOCC1(C)C 269982a_100000724681_100000076356 [0,1,0,1,0,0|2,0,0]=4 21799 B13R1.3575 CC(=O)OCN1CCOCC1(C)C 34a_100000724681_100009813279 [0,1,0,1,0,0|2,0,0]=4 21800 B13R1.3576 CC(=O)CCN1CCCC1C(C)C 269982a_100000762757_100000053229 [0,1,0,1,0,0|2,0,0]=4 21801 B13R1.3576 CC(=O)N1CCC[C@@H]1COC(C)C 34a_100012242843_100000210206 [0,1,0,1,0,0|2,0,0]=4 21802 B13R1.3576 CC(=O)N1CCC[C@@H]1COC(C)C 7a_100012242843_100000210206 [0,1,0,1,0,0|2,0,0]=4 21803 B13R1.3576 CC(=O)OCN1CCCC1C(C)C 269982a_100000762757_100000076356 [0,1,0,1,0,0|1,0,0]=3 21804 B13R1.3576 CC(=O)OCN1CCCC1C(C)C 34a_100000762757_100009813279 [0,1,0,1,0,0|1,0,0]=3 21805 B13R1.20 CCCC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747444 [0,1,0,1,0,0|1,0,1]=4 21806 B13R1.20 CCCC(C)CN1CCNC(=O)C1 2230a_100000184651_100011216630 [0,1,0,1,0,0|2,0,0]=4 21807 B13R1.20 CCCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243154 [0,1,0,1,0,0|2,0,0]=4 21808 B13R1.20 CCCC(C)CN1CCOC(=O)C1 2230a_100000131268_100011216630 [0,1,0,1,0,0|1,0,0]=3 21809 B13R1.20 CCCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243154 [0,1,0,1,0,0|1,0,0]=3 21810 B13R1.20 CCCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000766640 [0,1,0,1,0,0|2,0,0]=4 21811 B13R1.20 CCCC(C)NC1CCNC(=O)C1 34a_100016994916_100000766640 [0,1,0,1,0,0|2,0,0]=4 21812 B13R1.20 CCCC(C)OC1CCCC(=O)C1 34a_100012613340_100000766640 [0,1,0,1,0,0|2,0,0]=4 21813 B13R1.20 CCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000766640 [0,1,0,1,0,0|2,0,0]=4 21814 B13R1.41 CCCC(C)CNC1CNC(=O)C1 2230a_100000697751_100011216630 [0,1,0,1,0,0|2,0,0]=4 21815 B13R1.41 CCCC(C)COC1CCC(=O)C1 34a_100012614533_100011216630 [0,1,0,1,0,0|2,0,0]=4 21816 B13R1.41 CCCC(C)COC1CNC(=O)C1 34a_100000690082_100011216630 [0,1,0,1,0,0|2,0,0]=4 21817 B13R1.41 CCCC(C)COC1COC(=O)O1 34a_100000688023_100000032252 [0,1,0,1,0,0|2,0,0]=4 21818 B13R1.41 CCCC(C)CSC1COC(=O)O1 62a_100011216630_100000032252 [0,1,0,1,0,0|2,0,0]=4 21819 B13R1.41 CCCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000766640 [0,1,0,1,0,0|2,0,0]=4 21820 B13R1.41 CCCC(C)NCC1CNC(=O)C1 34a_100016993742_100000766640 [0,1,0,1,0,0|2,0,0]=4 21821 B13R1.41 CCCC(C)NC[C@H]1COC(=O)N1 2230a_100000741246_100015307671 [0,1,0,1,0,0|2,0,0]=4 21822 B13R1.41 CCCC(C)OCC1CNC(=O)C1 34a_100016041077_100000766640 [0,1,0,1,0,0|2,0,0]=4 21823 B13R1.41 CCCC(C)OCC1COC(=O)O1 34a_100000764384_100000073702 [0,1,0,1,0,0|2,0,0]=4 21824 B13R1.41 CCCC(C)OC[C@H]1COC(=O)N1 34a_100000764384_100015307671 [0,1,0,1,0,0|2,0,0]=4 21825 B13R1.41 CCCC(C)OC[C@H]1COC(=O)N1 7a_100000764384_100015307671 [0,1,0,1,0,0|2,0,0]=4 21826 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000073702_100000766640 [0,1,0,1,0,0|2,0,0]=4 21827 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000766640_100000073702 [0,1,0,1,0,0|2,0,0]=4 21828 B13R1.41 CCCC(C)SC[C@H]1COC(=O)N1 62a_100000766640_100015307671 [0,1,0,1,0,0|2,0,0]=4 21829 B13R1.41 CCCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000766640 [0,1,0,1,0,0|2,0,0]=4 21830 B13R1.41 CCC[C@H](N)COC1COC(=O)O1 34a_100000732646_100000032252 [0,1,0,1,0,0|2,0,0]=4 21831 B13R1.164 CC(=O)OCN1CCN(C[C@@H]1C)C 269982a_100012002466_100000076356 [0,1,0,1,0,0|2,0,0]=4 21832 B13R1.462 CCCC(C)COCC1CC(=O)C1 34a_100000101936_100011216630 [0,1,0,1,0,0|2,0,0]=4 21833 B13R1.462 CCCC(C)COCC1CC(=O)C1 7a_100000688023_100009874392 [0,1,0,1,0,0|2,0,0]=4 21834 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100009874392_100011216630 [0,1,0,1,0,0|2,0,0]=4 21835 B13R1.462 CCCC(C)CSCC1CC(=O)C1 62a_100011216630_100009874392 [0,1,0,1,0,0|2,0,0]=4 21836 B13R1.467 CCCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210303 [0,1,0,1,0,0|1,0,1]=4 21837 B13R1.1080 CC(=O)CCCCNC(C)C1CC1 34a_100000700016_100009817362 [0,1,0,1,0,0|2,0,0]=4 21838 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 34a_100000744524_100009817362 [0,1,0,1,0,0|2,0,0]=4 21839 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 7a_100000744524_100000735457 [0,1,0,1,0,0|2,0,0]=4 21840 B13R1.1080 CC(=O)CCCNCC(O)C1CC1 34a_100000751198_100000685027 [0,1,0,1,0,0|2,0,0]=4 21841 B13R1.1080 CC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100000685027 [0,1,0,1,0,0|2,0,0]=4 21842 B13R1.1080 CC(=O)NCCCNC(C)C1CC1 269862a_100000736810_100000210639 [0,1,0,1,0,0|2,0,0]=4 21843 B13R1.1080 CC(=O)NCCNCC(O)C1CC1 2230a_100000751198_100000189650 [0,1,0,1,0,0|2,0,0]=4 21844 B13R1.1080 CC(=O)OCCCCC(=O)C1CC1 1458a_100000210395_100000033659 [0,1,0,1,0,0|0,0,1]=3 21845 B13R1.1080 CC(=O)OCCCCC(=O)C1CO1 1458a_100000701028_100000033659 [0,1,0,1,0,0|1,0,1]=4 21846 B13R1.1080 CC(=O)OCCCCN(C)C1CC1 269982a_100000226674_100000033659 [0,1,0,1,0,0|1,0,0]=3 21847 B13R1.1080 CC(=O)OCCCNC(C)C1CC1 34a_100000700016_100000042594 [0,1,0,1,0,0|1,0,0]=3 21848 B13R1.1080 CC(=O)OCCCOC(C)C1CC1 34a_100000744524_100000042594 [0,1,0,1,0,0|1,0,0]=3 21849 B13R1.1080 CC(=O)OCCCOC(C)C1CC1 7a_100000744524_100000042594 [0,1,0,1,0,0|1,0,0]=3 21850 B13R1.1080 CC(=O)OCCNCC(O)C1CC1 34a_100000751198_100009814007 [0,1,0,1,0,0|1,0,0]=3 21851 B13R1.1080 CC(=O)OCCOCC(=O)C1CC1 34a_100000686663_100009814007 [0,1,0,1,0,0|1,0,1]=4 21852 B13R1.1080 CC(=O)OCCOCN(C)C1CC1 269982a_100000226674_100000076355 [0,1,0,1,0,0|2,0,0]=4 21853 B13R1.1080 CC(=O)OCCOC[C@H](N)C1CC1 34a_100020623730_100009814007 [0,1,0,1,0,0|1,0,0]=3 21854 B13R1.1080 CC(=O)OCCSCC(=O)C1CC1 62a_100000746382_100009814007 [0,1,0,1,0,0|1,0,1]=4 21855 B13R1.1080 CC(=O)OCCSCC(=O)C1CC1 62a_100009814007_100000746382 [0,1,0,1,0,0|1,0,1]=4 21856 B13R1.1080 CC(=O)SCCCCC(=O)C1CC1 1458a_100000210395_200010402107 [0,1,0,1,0,0|0,1,1]=4 21857 B13R1.1080 CC(=O)SCCCCN(C)C1CC1 2230a_100000226674_200010402107 [0,1,0,1,0,0|1,1,0]=4 21858 B13R1.1080 CC(=O)SCCCCN(C)C1CC1 269982a_100000226674_200010402107 [0,1,0,1,0,0|1,1,0]=4 21859 B13R1.1080 CC(=O)SCCCNC(C)C1CC1 2230a_100000700016_100000038929 [0,1,0,1,0,0|1,1,0]=4 21860 B13R1.1080 CC(=O)SCCCNC(C)C1CC1 34a_100000700016_100000038929 [0,1,0,1,0,0|1,1,0]=4 21861 B13R1.1080 CC(=O)SCCCOC(C)C1CC1 34a_100000744524_100000038929 [0,1,0,1,0,0|1,1,0]=4 21862 B13R1.1080 CC(=O)SCCCOC(C)C1CC1 7a_100000744524_100000038929 [0,1,0,1,0,0|1,1,0]=4 21863 B13R1.1080 CC(=S)OCCCNC(C)C1CC1 2230a_100000700016_200135323944 [0,1,0,1,0,0|1,1,0]=4 21864 B13R1.1080 CC(=S)OCCCNC(C)C1CC1 34a_100000700016_200135323944 [0,1,0,1,0,0|1,1,0]=4 21865 B13R1.1080 CC(=S)OCCCOC(C)C1CC1 34a_100000744524_200135323944 [0,1,0,1,0,0|1,1,0]=4 21866 B13R1.1080 CC(=S)OCCCOC(C)C1CC1 7a_100000744524_200135323944 [0,1,0,1,0,0|1,1,0]=4 21867 B13R1.1080 NC(=O)OCCNCC(O)C1CC1 34a_100000751198_200011214921 [0,1,0,1,0,0|2,0,0]=4 21868 B13R1.1080 NC(=O)OCCOC[C@H](N)C1CC1 34a_100020623730_200011214921 [0,1,0,1,0,0|2,0,0]=4 21869 B13R1.1462 CCCC(C)N1CCCNC(=O)C1 2230a_100015190381_100000766640 [0,1,0,1,0,0|2,0,0]=4 21870 B13R1.1462 CCCC(C)N1CCCNC(=O)C1 270004a_100015190381_100000211909 [0,1,0,1,0,0|2,0,0]=4 21871 B13R1.8670 CC(=O)CCCCNC1(CCC1)C 34a_100000692455_100009817362 [0,1,0,1,0,0|2,0,0]=4 21872 B13R1.8670 CC(=O)CCCCOC1(CCC1)C 34a_100000759064_100009817362 [0,1,0,1,0,0|2,0,0]=4 21873 B13R1.8670 CC(=O)CCCCOC1(CCC1)C 7a_100000759064_100000735457 [0,1,0,1,0,0|2,0,0]=4 21874 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 34a_100000759063_100000726658 [0,1,0,1,0,0|2,0,0]=4 21875 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 7a_100000759063_100000726658 [0,1,0,1,0,0|2,0,0]=4 21876 B13R1.8670 CC(=O)CCCSCC1(CCC1)C 62a_100000726658_100011215641 [0,1,0,1,0,0|2,0,0]=4 21877 B13R1.8670 CC(=O)CCCSCC1(CCC1)C 62a_100011215641_100000726658 [0,1,0,1,0,0|2,0,0]=4 21878 B13R1.8670 CC(=O)NCCNCC1(CCC1)C 2230a_100000209853_100000726658 [0,1,0,1,0,0|2,0,0]=4 21879 B13R1.8670 CC(=O)NCCNCC1(CCC1)C 2230a_100000706607_100000189650 [0,1,0,1,0,0|2,0,0]=4 21880 B13R1.8670 CC(=O)NCCNCC1(CCC1)O 2230a_100000752638_100000189650 [0,1,0,1,0,0|2,0,0]=4 21881 B13R1.8670 CC(=O)NCCOCC1(CCC1)C 34a_100000158858_100000726658 [0,1,0,1,0,0|2,0,0]=4 21882 B13R1.8670 CC(=O)NCCSCC1(CCC1)C 62a_100000189650_100000726658 [0,1,0,1,0,0|2,0,0]=4 21883 B13R1.8670 CC(=O)NCCSCC1(CCC1)C 62a_100000726658_100000189650 [0,1,0,1,0,0|2,0,0]=4 21884 B13R1.8670 CC(=O)OCCCNC1(CCC1)C 34a_100000692455_100000042594 [0,1,0,1,0,0|1,0,0]=3 21885 B13R1.8670 CC(=O)OCCCOC1(CCC1)C 34a_100000759064_100000042594 [0,1,0,1,0,0|1,0,0]=3 21886 B13R1.8670 CC(=O)OCCCOC1(CCC1)C 7a_100000759064_100000042594 [0,1,0,1,0,0|1,0,0]=3 21887 B13R1.8670 CC(=O)OCCCOC1(CSC1)C 7a_100016018533_100000042594 [0,1,0,1,0,0|2,0,0]=4 21888 B13R1.8670 CC(=O)OCCOCC1(CSC1)C 34a_100000732658_100009814007 [0,1,0,1,0,0|2,0,0]=4 21889 B13R1.8670 CC(=O)OCCOCC1(CSC1)C 7a_100000732658_100009814007 [0,1,0,1,0,0|2,0,0]=4 21890 B13R1.8670 CC(=O)OCCSCC1(CCC1)C 62a_100000726658_100009814007 [0,1,0,1,0,0|1,0,0]=3 21891 B13R1.8670 CC(=O)OCCSCC1(CCC1)C 62a_100009814007_100000726658 [0,1,0,1,0,0|1,0,0]=3 21892 B13R1.8670 CC(=O)OCCSCC1(COC1)C 62a_100009814007_100009817586 [0,1,0,1,0,0|2,0,0]=4 21893 B13R1.8670 CC(=O)OCCSCC1(COC1)C 62a_100009817586_100009814007 [0,1,0,1,0,0|2,0,0]=4 21894 B13R1.8670 CC(=O)SCCCNC1(CCC1)C 2230a_100000692455_100000038929 [0,1,0,1,0,0|1,1,0]=4 21895 B13R1.8670 CC(=O)SCCCNC1(CCC1)C 34a_100000692455_100000038929 [0,1,0,1,0,0|1,1,0]=4 21896 B13R1.8670 CC(=O)SCCCOC1(CCC1)C 34a_100000759064_100000038929 [0,1,0,1,0,0|1,1,0]=4 21897 B13R1.8670 CC(=O)SCCCOC1(CCC1)C 7a_100000759064_100000038929 [0,1,0,1,0,0|1,1,0]=4 21898 B13R1.8670 CC(=S)OCCCNC1(CCC1)C 2230a_100000692455_200135323944 [0,1,0,1,0,0|1,1,0]=4 21899 B13R1.8670 CC(=S)OCCCNC1(CCC1)C 34a_100000692455_200135323944 [0,1,0,1,0,0|1,1,0]=4 21900 B13R1.8670 CC(=S)OCCCOC1(CCC1)C 34a_100000759064_200135323944 [0,1,0,1,0,0|1,1,0]=4 21901 B13R1.8670 CC(=S)OCCCOC1(CCC1)C 7a_100000759064_200135323944 [0,1,0,1,0,0|1,1,0]=4 21902 B13R1.8670 CC1(CCC1)COCCOC(=O)N 7a_100000766696_100000726658 [0,1,0,1,0,0|2,0,0]=4 21903 B13R1.8670 CC1(CCC1)CSCCOC(=O)N 62a_100000726658_200011214921 [0,1,0,1,0,0|2,0,0]=4 21904 B13R1.8670 CC1(CCC1)CSCCOC(=O)N 62a_200011214921_100000726658 [0,1,0,1,0,0|2,0,0]=4 21905 B13R2.142 O=C1CC(CN1)NC2CCCC2 2230a_100000697751_100000179811 [0,0,0,2,0,0|2,0,0]=4 21906 B13R2.142 O=C1CC(CN1)OC2CCCC2 34a_100000690082_100000179811 [0,0,0,2,0,0|2,0,0]=4 21907 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [0,0,0,2,0,0|2,0,0]=4 21908 B13R2.142 O=C1CN(CN1)CC2CCCC2 2230a_200000708111_100000740388 [0,0,0,2,0,0|2,0,0]=4 21909 B13R2.142 O=C1N[C@H](CO1)CN2CCCC2 2230a_100000188435_100015307671 [0,0,0,2,0,0|2,0,0]=4 21910 B13R2.142 O=C1N[C@H](CO1)CN2CCCC2 269982a_100000188435_100015307671 [0,0,0,2,0,0|2,0,0]=4 21911 B13R2.142 O=C1OCC(O1)CN2CCCC2 269982a_100000188435_100000073702 [0,0,0,2,0,0|2,0,0]=4 21912 B13R2.142 O=C1OCC(O1)NC2CCCC2 34a_100000211070_100000032252 [0,0,0,2,0,0|2,0,0]=4 21913 B13R2.142 O=C1OCC(O1)OC2CCCC2 34a_100000210269_100000032252 [0,0,0,2,0,0|2,0,0]=4 21914 B13R2.142 O=C1OCC(O1)SC2CCCC2 62a_100011217020_100000032252 [0,0,0,2,0,0|2,0,0]=4 21915 B13R2.143 CC1CC1COC2COC(=O)O2 34a_100000744939_100000032252 [0,0,0,2,0,0|2,0,0]=4 21916 B13R2.144 C[C@@H]1CCCN1C2COC(=O)O2 34a_100015189458_100000032252 [0,0,0,2,0,0|2,0,0]=4 21917 B13R2.145 CC1CCN1CC2COC(=O)O2 269982a_100000755817_100000073702 [0,0,0,2,0,0|2,0,0]=4 21918 B13R2.145 CC1CCN1CC2COC(=O)O2 34a_100000755817_100000073702 [0,0,0,2,0,0|2,0,0]=4 21919 B13R2.145 CC1CCN1C[C@H]2COC(=O)N2 269982a_100000755817_100015307671 [0,0,0,2,0,0|2,0,0]=4 21920 B13R2.145 CC1CCN1C[C@H]2COC(=O)N2 34a_100000755817_100015307671 [0,0,0,2,0,0|2,0,0]=4 21921 B13R2.2973 O=C1CC(CN1)CNCC2CC2 2230a_100016993742_100000742324 [0,0,0,2,0,0|2,0,0]=4 21922 B13R2.2973 O=C1CC(CN1)CNCC2CC2 269862a_100016993742_100000741477 [0,0,0,2,0,0|2,0,0]=4 21923 B13R2.2973 O=C1CC(CN1)CNCC2CC2 34a_100016993742_100000742324 [0,0,0,2,0,0|2,0,0]=4 21924 B13R2.2973 O=C1CC(CN1)COCC2CC2 34a_100016041077_100000742324 [0,0,0,2,0,0|2,0,0]=4 21925 B13R2.2973 O=C1CC(CN1)NCCC2CC2 2230a_100000697751_100000694398 [0,0,0,2,0,0|2,0,0]=4 21926 B13R2.2973 O=C1CC(CN1)OCCC2CC2 34a_100000690082_100000694398 [0,0,0,2,0,0|2,0,0]=4 21927 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [0,0,0,2,0,0|2,0,0]=4 21928 B13R2.2973 O=C1N[C@H](CO1)CNCC2CC2 2230a_100000735609_100015307671 [0,0,0,2,0,0|2,0,0]=4 21929 B13R2.2973 O=C1N[C@H](CO1)CNCC2CC2 34a_100000735609_100015307671 [0,0,0,2,0,0|2,0,0]=4 21930 B13R2.2973 O=C1N[C@H](CO1)COCC2CC2 34a_100000211283_100015307671 [0,0,0,2,0,0|2,0,0]=4 21931 B13R2.2973 O=C1N[C@H](CO1)CSCC2CC2 62a_100000756562_100015307671 [0,0,0,2,0,0|2,0,0]=4 21932 B13R2.2973 O=C1N[C@H](CO1)CSCC2CC2 62a_100015307671_100000742324 [0,0,0,2,0,0|2,0,0]=4 21933 B13R2.2973 O=C1OCC(O1)CNCC2CC2 34a_100000735609_100000073702 [0,0,0,2,0,0|2,0,0]=4 21934 B13R2.2973 O=C1OCC(O1)COCC2CC2 34a_100000211283_100000073702 [0,0,0,2,0,0|2,0,0]=4 21935 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000073702_100000742324 [0,0,0,2,0,0|2,0,0]=4 21936 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000756562_100000073702 [0,0,0,2,0,0|2,0,0]=4 21937 B13R2.2973 O=C1OCC(O1)NCCC2CC2 34a_100000764129_100000032252 [0,0,0,2,0,0|2,0,0]=4 21938 B13R2.2973 O=C1OCC(O1)OCCC2CC2 34a_100000754188_100000032252 [0,0,0,2,0,0|2,0,0]=4 21939 B13R2.2973 O=C1OCC(O1)SCCC2CC2 62a_100000764125_100000032252 [0,0,0,2,0,0|2,0,0]=4 21940 B13R2.2974 O=C1CC(CN1)CNC2CCC2 34a_100016993742_100000749161 [0,0,0,2,0,0|2,0,0]=4 21941 B13R2.2974 O=C1CC(CN1)COC2CCC2 34a_100016041077_100000749161 [0,0,0,2,0,0|2,0,0]=4 21942 B13R2.2974 O=C1CC(CN1)NCC2CCC2 2230a_100000697751_100000763275 [0,0,0,2,0,0|2,0,0]=4 21943 B13R2.2974 O=C1CC(CN1)NCC2CCC2 269862a_100000697751_100000753134 [0,0,0,2,0,0|2,0,0]=4 21944 B13R2.2974 O=C1CC(CN1)OCC2CCC2 34a_100000690082_100000763275 [0,0,0,2,0,0|2,0,0]=4 21945 B13R2.2974 O=C1CCC(C1)OCC2CCC2 34a_100012614533_100000763275 [0,0,0,2,0,0|2,0,0]=4 21946 B13R2.2974 O=C1N[C@H](CO1)CNC2CCC2 2230a_100000749019_100015307671 [0,0,0,2,0,0|2,0,0]=4 21947 B13R2.2974 O=C1N[C@H](CO1)CNC2CCC2 34a_100000749019_100015307671 [0,0,0,2,0,0|2,0,0]=4 21948 B13R2.2974 O=C1N[C@H](CO1)COC2CCC2 34a_100000748187_100015307671 [0,0,0,2,0,0|2,0,0]=4 21949 B13R2.2974 O=C1N[C@H](CO1)CSC2CCC2 62a_100015307671_100000749161 [0,0,0,2,0,0|2,0,0]=4 21950 B13R2.2974 O=C1OCC(O1)CNC2CCC2 34a_100000749019_100000073702 [0,0,0,2,0,0|2,0,0]=4 21951 B13R2.2974 O=C1OCC(O1)COC2CCC2 34a_100000748187_100000073702 [0,0,0,2,0,0|2,0,0]=4 21952 B13R2.2974 O=C1OCC(O1)CSC2CCC2 62a_100000073702_100000749161 [0,0,0,2,0,0|2,0,0]=4 21953 B13R2.2974 O=C1OCC(O1)NCC2CCC2 34a_100000738700_100000032252 [0,0,0,2,0,0|2,0,0]=4 21954 B13R2.2974 O=C1OCC(O1)OCC2CCC2 34a_100000760304_100000032252 [0,0,0,2,0,0|2,0,0]=4 21955 B13R2.2974 O=C1OCC(O1)SCC2CCC2 62a_100000763275_100000032252 [0,0,0,2,0,0|2,0,0]=4 21956 B13R2.13 O=C1CN(CCN1)C2CCCC2 2230a_100000184651_100000179811 [0,0,0,2,0,0|2,0,0]=4 21957 B13R2.13 O=C1CN(CCN1)C2CCCC2 270004a_100000184651_100000210133 [0,0,0,2,0,0|2,0,0]=4 21958 B13R2.13 O=C1CN(CCO1)C2CCCC2 2230a_100000131268_100000179811 [0,0,0,2,0,0|1,0,0]=3 21959 B13R2.13 O=C1CN(CCO1)C2CCCC2 270004a_100000131268_100000210133 [0,0,0,2,0,0|1,0,0]=3 21960 B13R2.13 O=C1CN(CCO1)C2CCOC2 2230a_100000131268_100000731011 [0,0,0,2,0,0|2,0,0]=4 21961 B13R2.13 O=C1CN(CCO1)C2CCOC2 270004a_100000131268_100000752484 [0,0,0,2,0,0|2,0,0]=4 21962 B13R2.13 O=C1CN(CCO1)C2CCSC2 270004a_100000131268_100000212027 [0,0,0,2,0,0|2,0,0]=4 21963 B13R2.3021 O=C1CC(CCN1)NC2CCC2 34a_100016994916_100000749161 [0,0,0,2,0,0|2,0,0]=4 21964 B13R2.3021 O=C1CCCC(C1)OC2CCC2 34a_100012613340_100000749161 [0,0,0,2,0,0|2,0,0]=4 21965 B13R2.3021 O=C1CN(CCN1)CC2CCC2 2230a_100000184651_100000763275 [0,0,0,2,0,0|2,0,0]=4 21966 B13R2.3021 O=C1CN(CCO1)CC2CCC2 2230a_100000131268_100000763275 [0,0,0,2,0,0|1,0,0]=3 21967 B13R2.3021 O=C1CN(CCO1)CC2CCO2 2230a_100000131268_100000103362 [0,0,0,2,0,0|2,0,0]=4 21968 B13R2.3021 O=C1CN(CCO1)CC2COC2 2230a_100000131268_100010264016 [0,0,0,2,0,0|2,0,0]=4 21969 B13R2.3021 O=C1C[C@@H](CCN1)OC2CCC2 34a_100015189427_100000749161 [0,0,0,2,0,0|2,0,0]=4 21970 B13R2.5331 O=C1CC(CCN1)COC2CC2 34a_100009886756_100000211595 [0,0,0,2,0,0|2,0,0]=4 21971 B13R2.5331 O=C1CC(CCN1)NCC2CC2 2230a_100016994916_100000742324 [0,0,0,2,0,0|2,0,0]=4 21972 B13R2.5331 O=C1CC(CCN1)NCC2CC2 269862a_100016994916_100000741477 [0,0,0,2,0,0|2,0,0]=4 21973 B13R2.5331 O=C1CC(CCN1)NCC2CC2 34a_100016994916_100000742324 [0,0,0,2,0,0|2,0,0]=4 21974 B13R2.5331 O=C1CCCC(C1)OCC2CC2 34a_100012613340_100000742324 [0,0,0,2,0,0|2,0,0]=4 21975 B13R2.5331 O=C1CN(CCN1)CCC2CC2 2230a_100000184651_100000694398 [0,0,0,2,0,0|2,0,0]=4 21976 B13R2.5331 O=C1CN(CCO1)CCC2CC2 2230a_100000131268_100000694398 [0,0,0,2,0,0|1,0,0]=3 21977 B13R2.5331 O=C1CN(CCO1)CCC2CO2 2230a_100000131268_100000732470 [0,0,0,2,0,0|2,0,0]=4 21978 B13R2.5331 O=C1C[C@@H](CCN1)OCC2CC2 34a_100015189427_100000742324 [0,0,0,2,0,0|2,0,0]=4 21979 B13R2.31 O=C1CC(C1)SC2CCCCC2 62a_100009894365_100000210327 [0,0,0,2,0,0|2,0,0]=4 21980 B13R2.216 CC1CCCCN1C2CC(=O)C2 269982a_100000211376_100009894365 [0,0,0,2,0,0|2,0,0]=4 21981 B13R2.241 O=C1CC(C1)CNC2CCCC2 2230a_100000211070_100009874392 [0,0,0,2,0,0|2,0,0]=4 21982 B13R2.241 O=C1CC(C1)COC2CCCC2 34a_100000101936_100000179811 [0,0,0,2,0,0|2,0,0]=4 21983 B13R2.241 O=C1CC(C1)COC2CCCC2 7a_100000210269_100009874392 [0,0,0,2,0,0|2,0,0]=4 21984 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100009874392_100000179811 [0,0,0,2,0,0|2,0,0]=4 21985 B13R2.241 O=C1CC(C1)CSC2CCCC2 62a_100011217020_100009874392 [0,0,0,2,0,0|2,0,0]=4 21986 B13R2.241 O=C1CC(C1)SCC2CCCC2 62a_100009894365_100000740388 [0,0,0,2,0,0|2,0,0]=4 21987 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 2230a_100015189458_100009874392 [0,0,0,2,0,0|2,0,0]=4 21988 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 269982a_100015189458_100009874392 [0,0,0,2,0,0|2,0,0]=4 21989 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 2230a_100020605311_100009874392 [0,0,0,2,0,0|2,0,0]=4 21990 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 269982a_100020605311_100009874392 [0,0,0,2,0,0|2,0,0]=4 21991 B13R2.399 CC1CC1COCC2CC(=O)C2 7a_100000744939_100009874392 [0,0,0,2,0,0|2,0,0]=4 21992 B13R2.2357 CCC1CCCN1C2CC(=O)C2 269982a_100000754278_100009894365 [0,0,0,2,0,0|2,0,0]=4 21993 B13R2.5283 O=C1CC(C1)N2CCCCCC2 269982a_100000185865_100009894365 [0,0,0,2,0,0|2,0,0]=4 21994 B13R2.5292 O=C1CC(C1)COCCC2CC2 34a_100000101936_100000694398 [0,0,0,2,0,0|2,0,0]=4 21995 B13R2.5292 O=C1CC(C1)COCCC2CC2 7a_100000754188_100009874392 [0,0,0,2,0,0|2,0,0]=4 21996 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100000764125_100009874392 [0,0,0,2,0,0|2,0,0]=4 21997 B13R2.5292 O=C1CC(C1)CSCCC2CC2 62a_100009874392_100000764125 [0,0,0,2,0,0|2,0,0]=4 21998 B13R2.5303 O=C1CC(C1)CNCC2CCC2 2230a_100000738700_100009874392 [0,0,0,2,0,0|2,0,0]=4 21999 B13R2.5303 O=C1CC(C1)COCC2CCC2 34a_100000101936_100000763275 [0,0,0,2,0,0|2,0,0]=4 22000 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100000763275_100009874392 [0,0,0,2,0,0|2,0,0]=4 22001 B13R2.5303 O=C1CC(C1)CSCC2CCC2 62a_100009874392_100000763275 [0,0,0,2,0,0|2,0,0]=4 22002 B13R2.621 CCC1CCCCC1OC2CC2 34a_100000210738_100000211595 [0,0,0,2,0,0|1,0,1]=4 22003 B13R2.1287 CC(=O)N[C@H]1CN2CCC1CC2 240690a_100016987387_100015343762 [0,0,0,2,0,0|2,0,0]=4 22004 B13R2.430 CC(=O)N1CCN2CCC[C@@H]2C1 240690a_100000008389_100015343762 [0,0,0,2,0,0|2,0,0]=4 22005 B13R2.430 CC(=O)N1CCN2CCC[C@@H]2C1 527a_100000008389_100103153847 [0,0,0,2,0,0|2,0,0]=4 22006 B13R2.1264 CC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000053229 [0,0,0,2,0,0|2,0,0]=4 22007 B13R2.1264 CC(=O)COC1C2CCC1CC2 34a_100000211253_100009813300 [0,0,0,2,0,0|2,0,0]=4 22008 B13R2.1264 CC(=O)OCN1C2CCC1CC2 269982a_100000735658_100000076356 [0,0,0,2,0,0|1,0,0]=3 22009 B13R2.1264 CC(=O)OCN1C2CCC1CC2 34a_100000735658_100009813279 [0,0,0,2,0,0|1,0,0]=3 22010 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 11a_200016994038_100015343762 [0,0,0,2,0,0|2,0,0]=4 22011 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 1626a_200016994038_100015343762 [0,0,0,2,0,0|2,0,0]=4 22012 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 240690a_200016994038_100015343762 [0,0,0,2,0,0|2,0,0]=4 22013 B13R2.1466 CCN1C[C@H]2C[C@@H]1CN2C(=O)C 527a_200016994038_100103153847 [0,0,0,2,0,0|2,0,0]=4 22014 B13R2.3156 CC(=O)CCN1CCCC12CC2 269982a_100020620911_100000053229 [0,0,0,2,0,0|2,0,0]=4 22015 B13R2.3156 CC(=O)OCN1CCCC12CC2 269982a_100020620911_100000076356 [0,0,0,2,0,0|1,0,0]=3 22016 B13R2.3156 CC(=O)OCN1CCCC12CC2 34a_100020620911_100009813279 [0,0,0,2,0,0|1,0,0]=3 22017 B13R2.5551 CC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000053229 [0,0,0,2,0,0|2,0,0]=4 22018 B13R2.5551 CC(=O)COC1CC2CCC1C2 34a_100000211253_100000727232 [0,0,0,2,0,0|2,0,0]=4 22019 B13R2.5551 CC(=O)OCN1CC2CCC1C2 269982a_100000743476_100000076356 [0,0,0,2,0,0|1,0,0]=3 22020 B13R2.5551 CC(=O)OCN1CC2CCC1C2 34a_100000743476_100009813279 [0,0,0,2,0,0|1,0,0]=3 22021 B13R2.5551 CC(=O)OCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000076356 [0,0,0,2,0,0|2,0,0]=4 22022 B13R2.5551 CC(=O)OCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100009813279 [0,0,0,2,0,0|2,0,0]=4 22023 B13R2.5551 CC(C)OCC1CC2CCC1C2 34a_100000229996_100000210206 [0,0,0,2,0,0|1,0,1]=4 22024 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,2,0,0|1,0,0]=3 22025 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,2,0,0|1,0,0]=3 22026 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,2,0,0|1,0,0]=3 22027 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,2,0,0|1,0,0]=3 22028 B13R2.13806 CC(=O)OCOC1CCC2C1C2 34a_200012295571_100009813279 [0,0,0,2,0,0|1,0,0]=3 22029 B13R2.5565 CC(=O)CCCN1CC2CC2C1 269982a_100000741873_100011215641 [0,0,0,2,0,0|2,0,0]=4 22030 B13R2.5565 CC(=O)CCCN1CC2CC2C1 34a_100000741873_100000685027 [0,0,0,2,0,0|2,0,0]=4 22031 B13R2.5565 CC(=O)NCCN1CC2CC2C1 2230a_100000741873_100000189650 [0,0,0,2,0,0|2,0,0]=4 22032 B13R2.5565 CC(=O)NCCN1CC2CC2C1 269982a_100000741873_100000189650 [0,0,0,2,0,0|2,0,0]=4 22033 B13R2.5565 CC(=O)OCCN1CC2CC2C1 269982a_100000741873_100009814007 [0,0,0,2,0,0|1,0,0]=3 22034 B13R2.5565 CC(=O)OCCN1CC2CC2C1 34a_100000741873_100009814007 [0,0,0,2,0,0|1,0,0]=3 22035 B13R2.5565 NC(=O)OCCN1CC2CC2C1 269982a_100000741873_200011214921 [0,0,0,2,0,0|2,0,0]=4 22036 B13R2.5565 NC(=O)OCCN1CC2CC2C1 34a_100000741873_200011214921 [0,0,0,2,0,0|2,0,0]=4 22037 B13R2.5852 CC(=O)OCN1CCC12COC2 269982a_100015204706_100000076356 [0,0,0,2,0,0|2,0,0]=4 22038 B13R2.1274 CC(=O)OCNC1C2C1COC2 34a_100000702821_100009813279 [0,0,0,2,0,0|2,0,0]=4 22039 B13R2.2382 C1CCC(CC1)CCOC2CC2 34a_100011217863_100000211595 [0,0,0,2,0,0|1,0,1]=4 22040 B13R2.5559 CC(=O)N1CCN2CCC1CC2 240690a_100000027273_100015343762 [0,0,0,2,0,0|2,0,0]=4 22041 B13R2.5559 CC(=O)N1CCN2CCC1CC2 527a_100000027273_100103153847 [0,0,0,2,0,0|2,0,0]=4 22042 B13R2.432 CC(=O)C1CCN1C2CCCC2 1458a_100000043100_200000210301 [0,0,0,2,0,0|2,0,0]=4 22043 B13R2.432 [13CH3]C(=O)C1CCN1C2CCCC2 1458a_100000043100_200025704644 [0,0,0,2,0,0|2,0,0]=4 22044 B13R2.2380 C1CCC(C1)CCCOC2CC2 34a_100011215328_100000211595 [0,0,0,2,0,0|1,0,1]=4 22045 B13R2.11169 O=C1CN(CCCN1)C2CCC2 270004a_100015190381_100000241760 [0,0,0,2,0,0|2,0,0]=4 22046 B13R2.13663 CC(=O)C12CCCCN1CCC2 1458a_200020892223_200000210301 [0,0,0,2,0,0|2,0,0]=4 22047 B13R2.13663 [13CH3]C(=O)C12CCCCN1CCC2 1458a_200020892223_200025704644 [0,0,0,2,0,0|2,0,0]=4 22048 B13R2.14125 CC(=O)CC12CCCN1CCC2 1458a_100000070827_200000210301 [0,0,0,2,0,0|2,0,0]=4 22049 B13R2.14125 [13CH3]C(=O)CC12CCCN1CCC2 1458a_100000070827_200025704644 [0,0,0,2,0,0|2,0,0]=4 22050 B13R2.10288 O=C1CN(CCCN1)CC2CC2 2230a_100015190381_100000742324 [0,0,0,2,0,0|2,0,0]=4 22051 B13R2.6839 C1CCCC(CCC1)OC2CC2 34a_100000210054_100000211595 [0,0,0,2,0,0|1,0,1]=4 22052 B13R2.6841 C1CCCC(CC1)COC2CC2 34a_100000699130_100000211595 [0,0,0,2,0,0|1,0,1]=4